The selective electrocatalytic reduction of nitrate to ammonia using Co(ii)-decorated TiO2nanosheets

Yan-Tong Xu, Ying Han, Daniel Kobina Sam and Yan Cao

J. Mater. Chem. A, 2022, 10, 22390
DOI: 10.1039/D2TA04707A

Densification of cellulose acetate-derived porous carbons for enhanced volumetric hydrogen adsorption performance

Hiroshi Matsutaka, Aya Kashifuku, Takaaki Orii, Daigo Miyajima, Naoki Uchiyama, Satoshi Wada and Hirotomo Nishihara

J. Mater. Chem. A, 2025, 13, 22392
DOI: 10.1039/D5TA00993F

Efficient H2 adsorption using a bimetallic Ni–Zn zeolite imidazole skeleton

Xiaoqian Peng, Jing Zhang, Xu Zhang, Xiaochan Liu, Zhiqiang Huang, Haibo Li and Xibin Yi

New J. Chem., 2023, 47, 20279
DOI: 10.1039/D3NJ03530A

Topological data analysis enhanced prediction of hydrogen storage in metal–organic frameworks (MOFs)

Shivanshu Shekhar and Chandra Chowdhury

Mater. Adv., 2024, 5, 820
DOI: 10.1039/D3MA00591G

The state of the field: from inception to commercialization of metal–organic frameworks

Zhijie Chen, Megan C. Wasson, Riki J. Drout, Lee Robison, Karam B. Idrees, Julia G. Knapp, Florencia A. Son, Xuan Zhang, Wolfgang Hierse, Clemens Kühn, Stefan Marx, Benjamin Hernandez and Omar K. Farha

Faraday Discuss., 2021, 225, 9
DOI: 10.1039/D0FD00103A

Lithium decorated 2D orthorhombic (o)-B2X2 monolayers for hydrogen storage: first principles calculations

Ayoub Benaddi, Abdelali Elomrani, Mohammed Lamhani, Said Oukahou, Mohammad Maymoun, Mohamed Yassine Fatihi and Abdellatif Hasnaoui

Sustainable Energy Fuels, 2024, 8, 1719
DOI: 10.1039/D4SE00173G

Stabilized open metal sites in bimetallic metal–organic framework catalysts for hydrogen production from alcohols

Jonathan L. Snider, Ji Su, Pragya Verma, Farid El Gabaly, Joshua D. Sugar, Luning Chen, Jeffery M. Chames, A. Alec Talin, Chaochao Dun, Jeffrey J. Urban, Vitalie Stavila, David Prendergast, Gabor A. Somorjai and Mark D. Allendorf

J. Mater. Chem. A, 2021, 9, 10869
DOI: 10.1039/D1TA00222H

Self-adjusting binding pockets enhance H2 and CH4 adsorption in a uranium-based metal–organic framework

Dominik P. Halter, Ryan A. Klein, Michael A. Boreen, Benjamin A. Trump, Craig M. Brown and Jeffrey R. Long

Chem. Sci., 2020, 11, 6709
DOI: 10.1039/D0SC02394A

Advances in catalysing the hydrogen storage in main group metals and their tetrahydroborates and tetrahydroaluminates

Melinda Krebsz, Tibor Pasinszki, Sooraj Sreenath and Valeska P. Ting

EES Catal., 2025, 3, 1196
DOI: 10.1039/D5EY00134J

Enabling hydrogen chemisorption on charged graphene

Patrick T. Shea, Andrew J. E. Rowberg and Brandon C. Wood

Phys. Chem. Chem. Phys., 2025, 27, 13952
DOI: 10.1039/D5CP00150A

Technoeconomic analysis of metal–organic frameworks for bulk hydrogen transportation

Aikaterini Anastasopoulou, Hiroyasu Furukawa, Brandon R. Barnett, Henry Z. H. Jiang, Jeffrey R. Long and Hanna M. Breunig

Energy Environ. Sci., 2021, 14, 1083
DOI: 10.1039/D0EE02448A

Machine learning the screening factor in the soft bond valence approach for rapid crystal structure estimation

Keisuke Kameda, Takaaki Ariga, Kazuma Ito, Manabu Ihara and Sergei Manzhos

Digital Discovery, 2024, 3, 1967
DOI: 10.1039/D4DD00152D

Simple local environment descriptors for accurate prediction of hydrogen absorption and migration in metal alloys

Vladislav Korostelev, James Wagner and Konstantin Klyukin

J. Mater. Chem. A, 2023, 11, 23576
DOI: 10.1039/D3TA04554D

Enhanced hydrogen uptake of dihydrogen complex via porous materials support

Kaiji Uchida, Shunya Tanaka, Shuta Adachi, Hiroaki Iguchi, Ryota Sakamoto and Shinya Takaishi

RSC Adv., 2024, 14, 11452
DOI: 10.1039/D4RA01182A

An approach towards next-generation hydrogen storage: a DFT study on A2LiTiH6 (A = K, Ca) perovskite hydrides

Muhammad Abaid Ullah, Muhammad Kaleem, Amna Nasir, Zahid Sarfraz, Malik Muhammad Asif Iqbal, Muhammad Rizwan, Khalid Nadeem Riaz and Muhammad Tanzeel

RSC Adv., 2025, 15, 38714
DOI: 10.1039/D5RA04660B

Nanoscale engineering of solid-state materials for boosting hydrogen storage

Yunting Wang, Yudong Xue and Andreas Züttel

Chem. Soc. Rev., 2024, 53, 972
DOI: 10.1039/D3CS00706E

Thermal decarboxylation for the generation of hierarchical porosity in isostructural metal–organic frameworks containing open metal sites

Hannah F. Drake, Zhifeng Xiao, Gregory S. Day, Shaik Waseem Vali, Wenmiao Chen, Qi Wang, Yutao Huang, Tian-Hao Yan, Jason E. Kuszynski, Paul A. Lindahl, Matthew R. Ryder and Hong-Cai Zhou

Mater. Adv., 2021, 2, 5487
DOI: 10.1039/D1MA00163A

Reversible hydrogen adsorption at room temperature using a molybdenum–dihydrogen complex in the solid state

Kaiji Uchida, Naoki Kishimoto, Shin-ichiro Noro, Hiroaki Iguchi and Shinya Takaishi

Dalton Trans., 2021, 50, 12630
DOI: 10.1039/D1DT01404H

Hydrogen storage, a key technology for the sustainable green economy: current trends and future challenges

Melinda Krebsz, Tibor Pasinszki, Sooraj Sreenath, John Andrews and Valeska P. Ting

Sustainable Energy Fuels, 2025, 9, 5108
DOI: 10.1039/D5SE00950B

Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks

Yassin H. Andaloussi, Andrey A. Bezrukov, Debobroto Sensharma and Michael J. Zaworotko

CrystEngComm, 2023, 25, 4175
DOI: 10.1039/D3CE00557G

Porous organic material-based atomically dispersed metal electrocatalysts

Hao Zhang, Suwen Wang, Enmin Lv, Menghui Qi, Chengchao He, Xinglong Dong, Jieshan Qiu, Yong Wang and Zhenhai Wen

Energy Environ. Sci., 2025, 18, 3986
DOI: 10.1039/D5EE00273G

IRMOF-74(n)–Mg: a novel catalyst series for hydrogen activation and hydrogenolysis of C–O bonds

Vitalie Stavila, Michael E. Foster, Jonathan W. Brown, Ryan W. Davis, Jane Edgington, Annabelle I. Benin, Ryan A. Zarkesh, Ramakrishnan Parthasarathi, David W. Hoyt, Eric D. Walter, Amity Andersen, Nancy M. Washton, Andrew S. Lipton and Mark D. Allendorf

Chem. Sci., 2019, 10, 9880
DOI: 10.1039/C9SC01018A

Structural resolution and mechanistic insight into hydrogen adsorption in flexible ZIF-7

Ryan A. Klein, Sarah Shulda, Philip A. Parilla, Pierre Le Magueres, Rachelle K. Richardson, William Morris, Craig M. Brown and C. Michael McGuirk

Chem. Sci., 2021, 12, 15620
DOI: 10.1039/D1SC04618G

Tailored hybridization of MIL-101(Cr) with graphene oxide enables enhanced hydrogen storage and delivery

Laura Jimenez Lopez, Rafael Morales-Ospino, Rosana V. Pinto, Jimena Castro-Gutierrez, Georges Mouchaham, Alain Celzard, Christian Serre and Vanessa Fierro

J. Mater. Chem. A, 2026, 14, 3101
DOI: 10.1039/D5TA06828B

Catalytic hydrogen storage in liquid hydrogen carriers

Yuwen Ni, Zhe Han, Yuchao Chai, Guangjun Wu and Landong Li

EES Catal., 2023, 1, 459
DOI: 10.1039/D3EY00076A

Development of advanced materials for cleaner energy generation through fuel cells

Priscilla Hyacinth Cyril and Govindachetty Saravanan

New J. Chem., 2020, 44, 19977
DOI: 10.1039/D0NJ03746J

An easy way to identify high performing covalent organic frameworks for hydrogen storage

Minman Tong, Weichen Zhu, Jian Li, Zhouyang Long, Shuang Zhao, Guojian Chen and Youshi Lan

Chem. Commun., 2020, 56, 6376
DOI: 10.1039/D0CC01494J

Hydrogen storage in M(BDC)(TED)0.5 metal–organic framework: physical insights and capacities

Nguyen Thi Xuan Huynh, Vu Thi Ngan, Nguyen Thi Yen Ngoc, Viorel Chihaia and Do Ngoc Son

RSC Adv., 2024, 14, 19891
DOI: 10.1039/D4RA02697G

6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−

Ke-Ke Wan, Jie-Hui Yu and Ji-Qing Xu

CrystEngComm, 2019, 21, 3086
DOI: 10.1039/C9CE00507B

Computational investigation of multifunctional MOFs for adsorption and membrane-based separation of CF4/CH4, CH4/H2, CH4/N2, and N2/H2 mixtures

Hakan Demir and Seda Keskin

Mol. Syst. Des. Eng., 2022, 7, 1707
DOI: 10.1039/D2ME00130F

Diverse hydrogen chemistry with perspectives for energy storage

Colin J. Webb, Terry D. Humphries, Joseph A. Teprovich, Marek Polanski, Michael Heere, Hai-Wen Li, Michael Felderhoff, Yaroslav Filinchuk, Martin Dornheim, Mark Paskevicius, Craig E. Buckley and Torben R. Jensen

Chem. Commun., 2026, 62, 4477
DOI: 10.1039/D5CC05834A

Highly efficient hydrogen storage of a Sc decorated biphenylene monolayer near ambient temperature: ab initio simulations

Mukesh Singh, Alok Shukla and Brahmananda Chakraborty

Sustainable Energy Fuels, 2023, 7, 996
DOI: 10.1039/D2SE01351G

Design principles for the ultimate gas deliverable capacity material: nonporous to porous deformations without volume change

Matthew Witman, Sanliang Ling, Vitalie Stavila, Pavithra Wijeratne, Hiroyasu Furukawa and Mark D. Allendorf

Mol. Syst. Des. Eng., 2020, 5, 1491
DOI: 10.1039/D0ME00122H

Computational investigation of the impact of metal–organic framework topology on hydrogen storage capacity

Kunhuan Liu, Haoyuan Chen, Timur Islamoglu, Andrew S. Rosen, Xijun Wang, Omar K. Farha and Randall Q. Snurr

Mol. Syst. Des. Eng., 2025, 10, 817
DOI: 10.1039/D5ME00078E

Controlling N speciation in solution synthesis of N-doped carbon materials

Mi Yeon Byun, Lili Liu, Daniel Mejía-Rodríguez, Eric D. Walter, Zihua Zhu, Niri Govind, Tom Autrey and Maria L. Sushko

RSC Appl. Interfaces, 2025, 2, 1320
DOI: 10.1039/D5LF00064E

Quantum chemical modeling of hydrogen binding in metal–organic frameworks: validation, insight, predictions and challenges

Romit Chakraborty, Justin J. Talbot, Hengyuan Shen, Yuto Yabuuchi, Kurtis M. Carsch, Henry Z. H. Jiang, Hiroyasu Furukawa, Jeffrey R. Long and Martin Head-Gordon

Phys. Chem. Chem. Phys., 2024, 26, 6490
DOI: 10.1039/D3CP05540J

Metal–Organic Frameworks as Catalysts for (De)Hydrogenation: Progress, Challenges, and Perspectives

Dawson A. Grimes, Seryeong Lee, Milad Ahmadi Khoshooei, Justin M. Notestein, Massimiliano Delferro and Omar K. Farha

Energy Fuels, 2025, 39, 13811
DOI: 10.1021/acs.energyfuels.5c00988

Thermal Activation of a Copper-Loaded Covalent Organic Framework for Near-Ambient Temperature Hydrogen Storage and Delivery

Wade A. Braunecker, Sarah Shulda, Madison B. Martinez, Katherine E. Hurst, Joshua T. Koubek, Sarah Zaccarine, Rachel E. Mow, Svitlana Pylypenko, Alan Sellinger, Thomas Gennett and Justin C. Johnson

ACS Materials Lett., 2020, 2, 227
DOI: 10.1021/acsmaterialslett.9b00413

Interface-engineered PtCu-polyaniline core-shell nanocrystals for efficient and durable ammonia oxidation reaction

Ghufran Aulia Bin Azizar, Dong Il Kang, Hafidatul Wahidah, Hyeon Gyu Lee, Hojin Ahn and Jong Wook Hong

Journal of Materials Science & Technology, 2026, 265, 54
DOI: 10.1016/j.jmst.2025.11.036

Microstructure characteristics, hydrogen storage kinetic and thermodynamic properties of Mg80–Ni20Y (x = 0–7) alloys

Yongzhi Li, Jie Yang, Long Luo, Feng Hu, Tingting Zhai, Zengwu Zhao, Yanghuan Zhang and Dongliang Zhao

International Journal of Hydrogen Energy, 2019, 44, 7371
DOI: 10.1016/j.ijhydene.2019.01.216

Prediction of Multiple Hydrogen Ligation at a Vanadium(II) Site in a Metal–Organic Framework

Romit Chakraborty, Kurtis M. Carsch, David E. Jaramillo, Yuto Yabuuchi, Hiroyasu Furukawa, Jeffrey R. Long and Martin Head-Gordon

J. Phys. Chem. Lett., 2022, 13, 10471
DOI: 10.1021/acs.jpclett.2c02844

Computational intelligence approaches for hydrogen storage material design

Abdulhalim Musa Abubakar and Mahlon Kida Marvin

Can J Chem Eng, 2026
DOI: 10.1002/cjce.70232

Predicting hydrogen storage in MOFs via machine learning

Alauddin Ahmed and Donald J. Siegel

Patterns, 2021, 2, 100291
DOI: 10.1016/j.patter.2021.100291

Hydrogen adsorption on Co2+ - and Ni2+- exchanged -US-Y and -ZSM-5. A combined sorption, DR UV–Vis, synchrotron XRD and DFT study

Nurkan Sarohan, M. Olus Ozbek, Yasemin Kaya, Mahmoud Abdellatief and Bahar Ipek

International Journal of Hydrogen Energy, 2022, 47, 32181
DOI: 10.1016/j.ijhydene.2022.07.130

Defect Engineering in Nanomaterials: A Pathway to Enhanced Hydrogen Storage Performance

Ahmadullah Hridoy, Rafid Bin Siddique, Nafees Ibne Alam, A. K. M. Ahsanul Habib, Md. Al-Riad Tonmoy, M. A. Zaed, R. Saidur and Semen Klyamkin

International Journal of Energy Research, 2026, 2026
DOI: 10.1155/er/5418933

Attainable Volumetric Targets for Adsorption-Based Hydrogen Storage in Porous Crystals: Molecular Simulation and Machine Learning

Grace Anderson, Benjamin Schweitzer, Ryther Anderson and Diego A. Gómez-Gualdrón

J. Phys. Chem. C, 2019, 123, 120
DOI: 10.1021/acs.jpcc.8b09420

Fine-tuned MOF-74 type variants with open metal sites for high volumetric hydrogen storage at near-ambient temperature

Dae Won Kim, Minji Jung, Dong Yun Shin, Namju Kim, Jaewoo Park, Jung-Hoon Lee, Hyunchul Oh and Chang Seop Hong

Chemical Engineering Journal, 2024, 489, 151500
DOI: 10.1016/j.cej.2024.151500

Single-Electron Transfer Stabilizes Metastable Alane in a Bipyridine-Functionalized MOF Nanopore

Mohana Shivanna, Nicole A. Torquato, Sichi Li, Maxwell A. T. Marple, Joshua D. Sugar, Michael E. Foster, Ashlynn Berry, William V. Taylor, Nicholas A. Strange, Xiaoling Wang, Farid El Gabaly, Tieyan Chang, Yu Sheng Chen, Peter A. Sharma, John Lemmon, Bryce Sadtler, Brandon C. Wood, Mark D. Allendorf and Vitalie Stavila

J. Am. Chem. Soc., 2025, 147, 47398
DOI: 10.1021/jacs.5c15894

An Overview of Metal–Organic Frameworks for Green Chemical Engineering

Xiang-Jing Kong and Jian-Rong Li

Engineering, 2021, 7, 1115
DOI: 10.1016/j.eng.2021.07.001

On the shoulders of high-throughput computational screening and machine learning: Design and discovery of MOFs for H2 storage and purification

Cigdem Altintas and Seda Keskin

Materials Today Energy, 2023, 38, 101426
DOI: 10.1016/j.mtener.2023.101426

Long Duration Energy Storage Using Hydrogen in Metal–Organic Frameworks: Opportunities and Challenges

Peng Peng, Henry Z. H. Jiang, Stephanie Collins, Hiroyasu Furukawa, Jeffrey R. Long and Hanna Breunig

ACS Energy Lett., 2024, 9, 2727
DOI: 10.1021/acsenergylett.4c00894

Challenges in characterizing adsorbents for gas storage and separation

D. P. Broom

Adsorption, 2024, 30, 1565
DOI: 10.1007/s10450-023-00424-9

Enhancing hydrogen storage by metal substitution in MIL-88A metal-organic framework

Nguyen Thi Xuan Huynh, Viorel Chihaia and Do Ngoc Son

Adsorption, 2020, 26, 509
DOI: 10.1007/s10450-020-00213-8

Molecular modelling and machine learning for high-throughput screening of metal-organic frameworks for hydrogen storage

N. Scott Bobbitt and Randall Q. Snurr

Molecular Simulation, 2019, 45, 1069
DOI: 10.1080/08927022.2019.1597271

Superalkali Li3O decorated BC3 monolayer as promising material for hydrogen storage

Shuping Yang, Ping Pan, Xiaogang Tong, Wenjie Hou and Xihao Chen

Journal of Energy Storage, 2024, 96, 112722
DOI: 10.1016/j.est.2024.112722

Synergistic Effects of V and Ni Catalysts on Hydrogen Sorption Kinetics of Mg-Based Hydrogen Storage Materials: A Computational Study

Patcharaporn Khajondetchairit, Lappawat Ngamwongwan, Pussana Hirunsit and Suwit Suthirakun

J. Phys. Chem. C, 2022, 126, 5483
DOI: 10.1021/acs.jpcc.1c10535

First-principles investigation of high reversible energy storage medium in Li-decorated net-Y

Xihao Chen, Che Zhang, Zonghang Liu, Jiwen Li, Donglin Guo, Liang Zhang, Jiang Cheng, Longxin Zhang, Guangzhao Wang and Peng Gao

Journal of Energy Storage, 2024, 103, 114445
DOI: 10.1016/j.est.2024.114445

Pillar-Layered Metal–Organic Frameworks Based on a Hexaprismane [Co6(μ3-OH)6] Cluster: Structural Modulation and Catalytic Performance in Aerobic Oxidation Reaction

Xiuling Zhang, Yong-Zheng Zhang, Yao-Qiang Jin, Longlong Geng, Da-Shuai Zhang, Hui Hu, Tingting Li, Bin Wang and Jian-Rong Li

Inorg. Chem., 2020, 59, 11728
DOI: 10.1021/acs.inorgchem.0c01611

Accelerating discovery of MOFs for hydrogen storage via machine learning in energy related applications

Saeid Khairandesh, Marzieh Lotfi, Afsanehsadat Larimi, Ali Akbar Asgharinezhad and Cyrus Ghotbi

Sci Rep, 2026
DOI: 10.1038/s41598-026-44340-8

Notable catalytic activity of CuO nanoparticles derived from metal‐organic frameworks for improving the hydrogen sorption properties of MgH 2

Vivek Shukla and Thakur Prasad Yadav

Intl J of Energy Research, 2022, 46, 12804
DOI: 10.1002/er.8050

LiH‐Destabilized Melamine for a Room‐Temperature Ammonia‐Free Hydrogen Evolution Reaction

Han Wang, Joshua Adedeji Bolarin, Yanmin Shen and Wenju Liu

ChemistrySelect, 2023, 8
DOI: 10.1002/slct.202303419

Hydrogen gas production & storage cycle with organic hydrides based on hydrogen fixing and release

Takumi Ichimura, Hitoshi Kasai and Kouki Oka

Energy 360, 2025, 3, 100028
DOI: 10.1016/j.energ.2025.100028

Boosting hydrogen storage and release in MOF-5 / graphite hybrids via in situ synthesis

Laura Jimenez Lopez, Rafael Morales-Ospino, Jimena Castro-Gutiérrez, Haroon Osman Sumbhaniya, Giuseppe Sdanghi, Sergio García Dalí, Alain Celzard and Vanessa Fierro

International Journal of Hydrogen Energy, 2025, 173, 151272
DOI: 10.1016/j.ijhydene.2025.151272

Exploring Hydrogen Storage Capacity in Metal‐Organic Frameworks: A Bayesian Optimization Approach

Sumedh Ghude and Chandra Chowdhury

Chemistry A European J, 2023, 29
DOI: 10.1002/chem.202301840

Computational design of a new palladium alloy with efficient hydrogen storage capacity and hydrogenation-dehydrogenation kinetics

Pritam Das, Young-Su Lee, Seung-Cheol Lee and Satadeep Bhattacharjee

International Journal of Hydrogen Energy, 2023, 48, 18795
DOI: 10.1016/j.ijhydene.2023.01.367

Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study

I. Cabria, A. Lebon, M.B. Torres, L.J. Gallego and A. Vega

Applied Surface Science, 2021, 562, 150019
DOI: 10.1016/j.apsusc.2021.150019

High hydrogen release by cryo-adsorption and compression on porous materials

Pamela Ramirez-Vidal, Giuseppe Sdanghi, Alain Celzard and Vanessa Fierro

International Journal of Hydrogen Energy, 2022, 47, 8892
DOI: 10.1016/j.ijhydene.2021.12.235

Micro-scale “top-down” construction of N/O Co-doped carbon aerogel particles for efficient hydrogen storage at ambient pressure

Junwei Yu, Shuhan Yan, Feifei Chen, Yi Lu, Tianhao Lin, Wenzhe Bao, Ye Zhang, Xian Zhao and Bo Zhu

Surfaces and Interfaces, 2024, 45, 103909
DOI: 10.1016/j.surfin.2024.103909

Binder and carbon free low mass loading high performance Zn-V2O5-δ aqueous thin film batteries: A comparative analysis across high and low current rates for real time application

C. Kathiresan, Sruthy Subash, S. Udhayakumar and K. Kamala Bharathi

Materials Science in Semiconductor Processing, 2025, 195, 109608
DOI: 10.1016/j.mssp.2025.109608

Porous Aromatic Frameworks (PAFs)

Yuyang Tian and Guangshan Zhu

Chem. Rev., 2020, 120, 8934
DOI: 10.1021/acs.chemrev.9b00687

Enhancing Dihydrogen Interaction of a Zirconium Metal–Organic Framework by Metal Doping

Xiyuan Yao, Sichi Li, Matthew J. Tang, Hashim Al Khunaizi, Long Qi, Brandon C. Wood and Yangyang Liu

Energy Fuels, 2025, 39, 18177
DOI: 10.1021/acs.energyfuels.5c03085

Catalytic alteration in hydrogen storage properties of MgH2 by adding CaTiO3

Sushil Kumar Saini, Bhawna Rathi, Priya Khandelwal, Rajesh Sahu, Ashok Kumar Sharma, Hiroki Miyaoka, Takayuki Ichikawa, Manoj Kumar, Shivani Agarwal and Ankur Jain

Journal of Energy Storage, 2025, 132, 117958
DOI: 10.1016/j.est.2025.117958

Applications of machine learning in metal-organic frameworks

Sanggyu Chong, Sangwon Lee, Baekjun Kim and Jihan Kim

Coordination Chemistry Reviews, 2020, 423, 213487
DOI: 10.1016/j.ccr.2020.213487

Optimization of the Pore Structures of MOFs for Record High Hydrogen Volumetric Working Capacity

Xin Zhang, Rui‐Biao Lin, Jing Wang, Bin Wang, Bin Liang, Taner Yildirim, Jian Zhang, Wei Zhou and Banglin Chen

Advanced Materials, 2020, 32
DOI: 10.1002/adma.201907995

CO2 and H2 adsorption on 3D nitrogen-doped porous graphene: Experimental and theoretical studies

Thiago C. dos Santos, Rafael C. Mancera, Marcus V.J. Rocha, Aline F.M. da Silva, Isabelle O. Furtado, Jade Barreto, Fernando Stavale, Braulio S. Archanjo, José Walkimar de M. Carneiro, Luciano T. Costa and Célia M. Ronconi

Journal of CO2 Utilization, 2021, 48, 101517
DOI: 10.1016/j.jcou.2021.101517

Observation of an Intermediate to H2 Binding in a Metal–Organic Framework

Brandon R. Barnett, Hayden A. Evans, Gregory M. Su, Henry Z. H. Jiang, Romit Chakraborty, Didier Banyeretse, Tyler J. Hartman, Madison B. Martinez, Benjamin A. Trump, Jacob D. Tarver, Matthew N. Dods, Lena M. Funke, Jonas Börgel, Jeffrey A. Reimer, Walter S. Drisdell, Katherine E. Hurst, Thomas Gennett, Stephen A. FitzGerald, Craig M. Brown, Martin Head-Gordon and Jeffrey R. Long

J. Am. Chem. Soc., 2021, 143, 14884
DOI: 10.1021/jacs.1c07223

Nano-enhanced solid-state hydrogen storage: Balancing discovery and pragmatism for future energy solutions

Chaochao Dun, Xinyi Wang, Linfeng Chen, Sichi Li, Hanna M. Breunig and Jeffrey J. Urban

Nano Res., 2024, 17, 8729
DOI: 10.1007/s12274-024-6876-y

ReDD-COFFEE under the Lens: Revealing Adsorption and Separation Performances of Hypothetical COFs Using Molecular Simulations and Machine Learning

Hilal Ozyurt, Gokhan Onder Aksu, Hasan Can Gulbalkan and Seda Keskin

Ind. Eng. Chem. Res., 2026, 65, 3920
DOI: 10.1021/acs.iecr.5c04806

CoMo carbide/nitride from bimetallic MOF precursors for enhanced OER performance

Yuanyuan Guo, Qi Huang, Junyang Ding, Li Zhong, Ting-Ting Li, Junqing Pan, Yue Hu, Jinjie Qian and Shaoming Huang

International Journal of Hydrogen Energy, 2021, 46, 22268
DOI: 10.1016/j.ijhydene.2021.04.084

Porous materials for hydrogen storage

Zhijie Chen, Kent O. Kirlikovali, Karam B. Idrees, Megan C. Wasson and Omar K. Farha

Chem, 2022, 8, 693
DOI: 10.1016/j.chempr.2022.01.012

Nanopore‐Supported Metal Nanocatalysts for Efficient Hydrogen Generation from Liquid‐Phase Chemical Hydrogen Storage Materials

Qiming Sun, Ning Wang, Qiang Xu and Jihong Yu

Advanced Materials, 2020, 32
DOI: 10.1002/adma.202001818

Challenges to developing materials for the transport and storage of hydrogen

Mark D. Allendorf, Vitalie Stavila, Jonathan L. Snider, Matthew Witman, Mark E. Bowden, Kriston Brooks, Ba L. Tran and Tom Autrey

Nat. Chem., 2022, 14, 1214
DOI: 10.1038/s41557-022-01056-2

Exploring the hydrogen and methane storage capacities of novel DUT MOFs at room temperature: A Grand Canonical Monte Carlo simulation study

A. Granja-DelRío and I. Cabria

International Journal of Hydrogen Energy, 2024, 54, 665
DOI: 10.1016/j.ijhydene.2023.11.258

Ultrathin Mesoporous Nanosheet‐Nanoconfined Low‐Crystallinity Framework Membranes for Ultrafast and Highly Selective Hydrogen Separation

Yihao Xiao, Yongyan Feng, Xinxi Huang, Kun Niu, Hai Liu and Wanbin Li

Adv Funct Materials, 2025, 35
DOI: 10.1002/adfm.202421913

Hydrogen absorption and desorption behavior of Ni catalyzed Mg–Y–C–Ni nanocomposites

Tai Yang, Peng Wang, Qiang Li, Chaoqun Xia, Fuxing Yin, Chunyong Liang and Yanghuan Zhang

Energy, 2018, 165, 709
DOI: 10.1016/j.energy.2018.09.132

Air-Stable Cu(I) Metal–Organic Framework for Hydrogen Storage

Debabrata Sengupta, Patrick Melix, Saptasree Bose, Joshua Duncan, Xingjie Wang, Mohammad Rasel Mian, Kent O. Kirlikovali, Faramarz Joodaki, Timur Islamoglu, Taner Yildirim, Randall Q. Snurr and Omar K. Farha

J. Am. Chem. Soc., 2023, 145, 20492
DOI: 10.1021/jacs.3c06393

A strain-engineering approach to enhance hydrogen storage in 2D holey graphyne

Antara Vaidyanathan, Vaibhav Wagh and Brahmananda Chakraborty

International Journal of Hydrogen Energy, 2025, 125, 266
DOI: 10.1016/j.ijhydene.2025.04.010

An International Laboratory Comparison Study of Volumetric and Gravimetric Hydrogen Adsorption Measurements

Katherine E. Hurst, Thomas Gennett, Jesse Adams, Mark D. Allendorf, Rafael Balderas‐Xicohténcatl, Marek Bielewski, Bryce Edwards, L. Espinal, Brent Fultz, Michael Hirscher, M. Sterlin L. Hudson, Zeric Hulvey, Michel Latroche, Di‐Jia Liu, Matthew Kapelewski, Emilio Napolitano, Zachary T. Perry, Justin Purewal, Vitalie Stavila, Mike Veenstra, James L. White, Yuping Yuan, Hong‐Cai Zhou, Claudia Zlotea and Philip Parilla

ChemPhysChem, 2019, 20, 1997
DOI: 10.1002/cphc.201900166

First-principles study of hydrogen adsorption energy and preferred storage site in Mg Ni alloys

Huan Wang, Changli Shi, Zihe Cao, Xiaolu Chen, Qiguo Zhang, Gangjun Gong, Qiang Lu, Xinhua Yuan and Bing Zhang

Computational and Theoretical Chemistry, 2026, 1256, 115600
DOI: 10.1016/j.comptc.2025.115600

Engineering functional groups in UiO-66 metal-organic frameworks for hydrogen storage: A structure-property relationship investigation

Hao Wang, Wenqi Shi, Zhimeng Liu, Yuqiao Su, Tao Ban, Shaopeng Lu, Linmeng Wang, Zhe Yu and Hongyi Gao

International Journal of Hydrogen Energy, 2026, 197, 152660
DOI: 10.1016/j.ijhydene.2025.152660

Shaping the Future of Fuel: Monolithic Metal–Organic Frameworks for High-Density Gas Storage

Bethany M. Connolly, David G. Madden, Andrew E. H. Wheatley and David Fairen-Jimenez

J. Am. Chem. Soc., 2020, 142, 8541
DOI: 10.1021/jacs.0c00270

Comparison of theoretical methods of the hydrogen storage capacities of nanoporous carbons

I. Cabria

International Journal of Hydrogen Energy, 2021, 46, 12192
DOI: 10.1016/j.ijhydene.2020.04.212

Grand Canonical Monte Carlo simulations of hydrogen and methane storage capacities of two novel Al-nia MOFs at room temperature

A. Granja-DelRío and I. Cabria

International Journal of Hydrogen Energy, 2024, 50, 685
DOI: 10.1016/j.ijhydene.2023.08.023

In Situ Porphyrin Substitution in a Zr(IV)‐MOF for Stability Enhancement and Photocatalytic CO2 Reduction

Xiang‐Jing Kong, Tao He, Jian Zhou, Chen Zhao, Tong‐Chuan Li, Xue‐Qian Wu, Kecheng Wang and Jian‐Rong Li

Small, 2021, 17
DOI: 10.1002/smll.202005357

Grand Canonical Monte Carlo simulations of the hydrogen storage capacities of slit-shaped pores, nanotubes and torusenes

D. Caviedes and I. Cabria

International Journal of Hydrogen Energy, 2022, 47, 11916
DOI: 10.1016/j.ijhydene.2022.01.229

Light-induced switchable adsorption in azobenzene- and stilbene-based porous materials

Hannah F. Drake, Gregory S. Day, Zhifeng Xiao, Hong-Cai Zhou and Matthew R. Ryder

Trends in Chemistry, 2022, 4, 32
DOI: 10.1016/j.trechm.2021.11.003

Advancing hydrogen storage predictions in metal-organic frameworks: A comparative study of LightGBM and random forest models with data enhancement

Masoud Seyyedattar, Sohrab Zendehboudi, Ali Ghamartale and Majid Afshar

International Journal of Hydrogen Energy, 2024, 69, 158
DOI: 10.1016/j.ijhydene.2024.04.230

Y decorated all-boron B38 nanocluster for reversible molecular hydrogen storage: A first-principles investigation

Mehdi D. Esrafili and Shabnam Sadeghi

International Journal of Hydrogen Energy, 2022, 47, 11611
DOI: 10.1016/j.ijhydene.2022.01.160

Experimental and theoretical insights into vanadium-based alloys for room temperature hydrogen storage on the example of Ti16Cr22Zr5V55-Fe2Mn (x=0–3) alloys

Zhouming Hang, Liqiu Shi, Yan Feng, Hongji Dong, Li Yang and Lixin Chen

Journal of Alloys and Compounds, 2024, 988, 174315
DOI: 10.1016/j.jallcom.2024.174315

Charge‐Induced Defective MOF‐801 with Enhanced Sorption Heat for Efficient Hydrogen Storage

Jia Chen, Zhuozhuo Tang, Da Zhu, Li Sheng, Yang Yang, Jianlong Wang, Yaping Tang, Xiangming He and Hong Xu

Small, 2025, 21
DOI: 10.1002/smll.202502860

Hydrogen storage in novel Zn(II) and Cd(II) MRT MOFs: A study using grand canonical Monte Carlo simulations

A. Granja-DelRío, A. Salces and I. Cabria

The Journal of Chemical Physics, 2025, 163
DOI: 10.1063/5.0274961

A Bird’s-Eye View on Polymer-Based Hydrogen Carriers for Mobile Applications

Mohammadhossein Sharifian, Wolfgang Kern and Gisbert Riess

Polymers, 2022, 14, 4512
DOI: 10.3390/polym14214512

Usable hydrogen-storage capacities of Li-decorated borophene nanopores in charge-discharge cycles

A. Lebon, B. Calvez, M.B. Torres, L.J. Gallego and A. Vega

Journal of Energy Storage, 2024, 92, 112172
DOI: 10.1016/j.est.2024.112172

Porous metal-organic frameworks for gas storage and separation: Status and challenges

Hao Li, Libo Li, Rui-Biao Lin, Wei Zhou, Zhangjing Zhang, Shengchang Xiang and Banglin Chen

EnergyChem, 2019, 1, 100006
DOI: 10.1016/j.enchem.2019.100006

Selective Adsorption of p-Xylene from Xylene Isomers with Self-Adaptive Hydrogen-Bonded Organic Frameworks

Peng Cui, Hanyu Zhang, Ping Jiao, Pengyu Zhang, Dongni Liu, Haitao Zhou, Bowei Chen, Qiang Zhu, Lingchang Jiang and Wenshuai Zhu

Crystal Growth & Design, 2025, 25, 225
DOI: 10.1021/acs.cgd.4c01074

Fine-Tuning a Robust Metal–Organic Framework toward Enhanced Clean Energy Gas Storage

Zhijie Chen, Mohammad Rasel Mian, Seung-Joon Lee, Haoyuan Chen, Xuan Zhang, Kent O. Kirlikovali, Sarah Shulda, Patrick Melix, Andrew S. Rosen, Philip A. Parilla, Thomas Gennett, Randall Q. Snurr, Timur Islamoglu, Taner Yildirim and Omar K. Farha

J. Am. Chem. Soc., 2021, 143, 18838
DOI: 10.1021/jacs.1c08749

Experimental and theoretical assessment of the enhanced hydrogen adsorption on polycyclic aromatic hydrocarbons upon decoration with alkali metals

Anna Maria Reider, Siegfried Kollotzek, Paul Scheier, Florent Calvo, Ersin Yurtsever, Fernando Pirani, Massimiliano Bartolomei, Marta I. Hernández, Tomás González-Lezana and José Campos-Martínez

International Journal of Hydrogen Energy, 2024, 58, 525
DOI: 10.1016/j.ijhydene.2024.01.244

Densified HKUST-1 Monoliths as a Route to High Volumetric and Gravimetric Hydrogen Storage Capacity

David Gerard Madden, Daniel O’Nolan, Nakul Rampal, Robin Babu, Ceren Çamur, Ali N. Al Shakhs, Shi-Yuan Zhang, Graham A. Rance, Javier Perez, Nicola Pietro Maria Casati, Carlos Cuadrado-Collados, Denis O’Sullivan, Nicholas P. Rice, Thomas Gennett, Philip Parilla, Sarah Shulda, Katherine E. Hurst, Vitalie Stavila, Mark D. Allendorf, Joaquin Silvestre-Albero, Alexander C. Forse, Neil R. Champness, Karena W. Chapman and David Fairen-Jimenez

J. Am. Chem. Soc., 2022, 144, 13729
DOI: 10.1021/jacs.2c04608

Material challenges in green hydrogen ecosystem

Huihui Zhang, Yang Fu, Hien Trang Nguyen, Bronwyn Fox, Joong Hee Lee, Alan Kin-Tak Lau, Hua Zheng, Han Lin, Tianyi Ma and Baohua Jia

Coordination Chemistry Reviews, 2023, 494, 215272
DOI: 10.1016/j.ccr.2023.215272

Metal hydrides: a historical perspective

Volodymyr A. Yartys, Etsuo Akiba, Robert C. Bowman, Craig E. Buckley, Jason Graetz, Michael Hirscher, Mark Paskevicius, Min Zhu, Thomas Gennett, Tom Autrey and Vitalie Stavila

Journal of Alloys and Compounds, 2026, 1050, 185734
DOI: 10.1016/j.jallcom.2025.185734

Balancing volumetric and gravimetric uptake in highly porous materials for clean energy

Zhijie Chen, Penghao Li, Ryther Anderson, Xingjie Wang, Xuan Zhang, Lee Robison, Louis R. Redfern, Shinya Moribe, Timur Islamoglu, Diego A. Gómez-Gualdrón, Taner Yildirim, J. Fraser Stoddart and Omar K. Farha

Science, 2020, 368, 297
DOI: 10.1126/science.aaz8881

Recent advancement in consolidation of MOFs as absorbents for hydrogen storage

Rasidi Sule, Ajay K. Mishra and Thabo T. Nkambule

Int J Energy Res, 2021, 45, 12481
DOI: 10.1002/er.6608

Modulated self-assembly of an interpenetrated MIL-53 Sc metal–organic framework with excellent volumetric H2 storage and working capacity

A.J.R. Thom, D.G. Madden, R. Bueno-Perez, A.N. Al Shakhs, C.T. Lennon, R.J. Marshall, C.A. Walshe, C. Wilson, C.A. Murray, S.P. Thompson, G.F. Turner, D. Bara, S.A. Moggach, D. Fairen-Jimenez and R.S. Forgan

Materials Today Chemistry, 2022, 24, 100887
DOI: 10.1016/j.mtchem.2022.100887

Graph-Based Machine Learning Framework for Predicting Hydrogen Storage Capacity in Metal–Organic Frameworks

Azzam Alfarraj, Monther Rashed Alfuraidan, Abdul Malik P. Peedikakkal and Ibrahim O. Sarumi

J. Chem. Inf. Model., 2025, 65, 10093
DOI: 10.1021/acs.jcim.5c01528

Remarkable isosteric heat of hydrogen adsorption on Cu(I)-exchanged SSZ-39

Bahar Ipek and Ismihan Altiparmak

International Journal of Hydrogen Energy, 2020, 45, 34972
DOI: 10.1016/j.ijhydene.2020.03.083

Advanced Carbon Architectures for Hydrogen Storage: From Synthesis to Performance Enhancement

Yaohui Xu, Yang Zhou, Yuting Li, Yitao Liu and Zhao Ding

Journal of Environmental Chemical Engineering, 2024, 12, 114497
DOI: 10.1016/j.jece.2024.114497

Thermodynamic Stability and Site‐Specific Distribution of Graphitic and Pyridinic Nitrogen in Graphene Moiré on Ru(0001)

Buddhika S. A. Gedara, Peter S. Rice, Prescott E. Evans, Daniel Baranowski, Marcus A. Sharp, Tom Autrey, Bojana Ginovska, Zdenek Dohnálek and Zbynek Novotny

Adv Materials Inter, 2025, 12
DOI: 10.1002/admi.202500142

La promoted Ni0-Niδ+ synergistic interaction for rapid and deep hydrogenation of liquid organic hydrogen carriers

Ting Zhu, Li Liu, Yifang Zhao, Min Gao, Yuan Dong, Dong Xia, Peng Huang, Hansong Cheng and Ming Yang

Chemical Engineering Journal, 2024, 493, 152354
DOI: 10.1016/j.cej.2024.152354

Exploring the Chemical Space of Metal–Organic Frameworks with rht Topology for High Capacity Hydrogen Storage

Kunhuan Liu, Zhijie Chen, Timur Islamoglu, Seung-Joon Lee, Haoyuan Chen, Taner Yildirim, Omar K. Farha and Randall Q. Snurr

J. Phys. Chem. C, 2024, 128, 7435
DOI: 10.1021/acs.jpcc.4c00638

Green fabrication of cost-effective and sustainable nanoporous carbons for efficient hydrogen storage and CO2/H2 separation

Nour F. Attia, Alfonso Policicchio, Giuseppe Conte, Raffaele Giuseppe Agostino, Amal Alkahlawy and Sally E.A. Elashery

International Journal of Hydrogen Energy, 2024, 92, 1160
DOI: 10.1016/j.ijhydene.2024.10.333

Nanostructured Metal Hydrides for Hydrogen Storage

Andreas Schneemann, James L. White, ShinYoung Kang, Sohee Jeong, Liwen F. Wan, Eun Seon Cho, Tae Wook Heo, David Prendergast, Jeffrey J. Urban, Brandon C. Wood, Mark D. Allendorf and Vitalie Stavila

Chem. Rev., 2018, 118, 10775
DOI: 10.1021/acs.chemrev.8b00313

Highly Porous Materials as Potential Components of Natural Gas Storage Systems: Part 2 (A Review)

E. I. Knerelman, Yu. A. Karozina, I. G. Shunina and I. V. Sedov

Pet. Chem., 2022, 62, 677
DOI: 10.1134/S0965544122050127

Structure-activity relationship of modified montmorillonite for treating polluted water

Di Liu, Chao Niu, Ke Wang, Zhuo Zhang, Tianfeng Zhao, Chunting Wu, Yongchun Guo, Yao Ma and Fei Chen

Materials Chemistry and Physics, 2026, 353, 132155
DOI: 10.1016/j.matchemphys.2026.132155

Enhanced hydrogen storage and release capacities when using HKUST-1@activated carbon hybrids obtained by resonant acoustic mixing

Laura Jimenez-Lopez, Rafael Morales-Ospino, Jimena Castro-Gutiérrez, Alain Celzard and Vanessa Fierro

Chemical Engineering Journal, 2025, 520, 165834
DOI: 10.1016/j.cej.2025.165834

Evaluation of C18 as a reversible hydrogen storage material by first-principles calculations

Jiazhuo Wang, Yichao Liu, Zhilian Dai, Bo Li, Lei Feng, Xihao Chen, Longxin Zhang, Fuqiang Zhai and Peng Gao

Journal of Energy Storage, 2026, 141, 119303
DOI: 10.1016/j.est.2025.119303

Recent Progress Using Solid-State Materials for Hydrogen Storage: A Short Review

Seul-Yi Lee, Jong-Hoon Lee, Yeong-Hun Kim, Jong-Woo Kim, Kyu-Jae Lee and Soo-Jin Park

Processes, 2022, 10, 304
DOI: 10.3390/pr10020304

High Hydrogen Storage in Trigonal Prismatic Monomer‐Based Highly Porous Aromatic Frameworks

Dae Won Kim, Yu Chen, Hyunlim Kim, Namju Kim, Young Hoon Lee, Hyunchul Oh, Yongchul G. Chung and Chang Seop Hong

Advanced Materials, 2024, 36
DOI: 10.1002/adma.202401739

In situ formation of TiB2 and TiH2 catalyzed Li/Mg based dual-cation borohydride with a low onset dehydrogenation temperature below 100 °C

C. Jiang, X. Wang, X. Xiao, M. Piao, Y. Jia, J. He, L. Hu, Y. Zou, L. Sun and L. Chen

Materials Today Chemistry, 2023, 27, 101356
DOI: 10.1016/j.mtchem.2022.101356

Research progress in structural regulation and applications of HKUST-1 and HKUST-1 based materials

Tian Zhao, Saiqun Nie, Mingliang Luo, Pengcheng Xiao, Minmin Zou and Yi Chen

Journal of Alloys and Compounds, 2024, 974, 172897
DOI: 10.1016/j.jallcom.2023.172897

Bibliometric insights into metal-organic frameworks modified with metal-based materials for hydrogen storage: Prospects, opportunities and challenges

B.A. Abdulkadir and H.D. Setiabudi

Journal of the Taiwan Institute of Chemical Engineers, 2025, 167, 105893
DOI: 10.1016/j.jtice.2024.105893

Systematic Search of Suitable Metal–Organic Frameworks for Thermal Energy-Storage Applications with Low Global Warming Potential Refrigerants

Edder J. García, Daniel Bahamon and Lourdes F. Vega

ACS Sustainable Chem. Eng., 2021, 9, 3157
DOI: 10.1021/acssuschemeng.0c07797

Hydrogen trapping potential of Ca decorated metal-graphyne framework

Sandeep Kumar and T.J. Dhilip Kumar

Energy, 2020, 199, 117453
DOI: 10.1016/j.energy.2020.117453

Hydrogen Storage Materials: Promising Materials for Kazakhstan’s Hydrogen Storage Industry

S. Abdimomyn, S. Malik, M. Skakov, Y. Koyanbayev, A. Miniyazov and F. Malchik

Eurasian Chem.-Technol. J., 2024, 26, 113
DOI: 10.18321/ectj1635

Efficient Electrochemical Hydrogenation of Toluene by Relay Catalysis Over a Ru Single Atom/Nanoparticle Dual‐Site Catalyst

Lingxia Zheng, Lubo Zhang, Jiawei Bai, Yifeng Zhang, Sentao Wei, Chenlong Zhang, Guojing Zhang, Yongbing Ma, Xin Wang and Yi Jia

Small, 2025, 21
DOI: 10.1002/smll.202501665

Dihydrogen attachment and dissociation reactions in Fe(H)2(H2)(PEtPh2)3: a DFT potential-energy scan

Vjeran Gomzi

Theor Chem Acc, 2022, 141
DOI: 10.1007/s00214-022-02870-0

Advancements in sorption-based materials for hydrogen storage and utilization: A comprehensive review

Fazil Qureshi, Mohammad Yusuf, Salman Ahmed, Moinul Haq, Alhafez M. Alraih, Tarek Hidouri, Hesam Kamyab, Dai-Viet N. Vo and Hussameldin Ibrahim

Energy, 2024, 309, 132855
DOI: 10.1016/j.energy.2024.132855

Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

Hilal Daglar, Hasan Can Gulbalkan, Gokhan Onder Aksu and Seda Keskin

Advanced Materials, 2025, 37
DOI: 10.1002/adma.202405532

Recent Development of Physical Hydrogen Storage: Insights into Global Outlook and Future Applications

Zeeshan Ali Lashari, Bashirul Haq, Dhafer Al‐Shehri, Ehsan Zaman, Amir Al‐Ahmed, Najeebullah Lashari and S. M. Zakir Hossain

Chemistry An Asian Journal, 2024, 19
DOI: 10.1002/asia.202300926

Materials for hydrogen-based energy storage – past, recent progress and future outlook

Michael Hirscher, Volodymyr A. Yartys, Marcello Baricco, Jose Bellosta von Colbe, Didier Blanchard, Robert C. Bowman, Darren P. Broom, Craig E. Buckley, Fei Chang, Ping Chen, Young Whan Cho, Jean-Claude Crivello, Fermin Cuevas, William I.F. David, Petra E. de Jongh, Roman V. Denys, Martin Dornheim, Michael Felderhoff, Yaroslav Filinchuk, George E. Froudakis, David M. Grant, Evan MacA. Gray, Bjørn C. Hauback, Teng He, Terry D. Humphries, Torben R. Jensen, Sangryun Kim, Yoshitsugu Kojima, Michel Latroche, Hai-Wen Li, Mykhaylo V. Lototskyy, Joshua W. Makepeace, Kasper T. Møller, Lubna Naheed, Peter Ngene, Dag Noréus, Magnus Moe Nygård, Shin-ichi Orimo, Mark Paskevicius, Luca Pasquini, Dorthe B. Ravnsbæk, M. Veronica Sofianos, Terrence J. Udovic, Tejs Vegge, Gavin S. Walker, Colin J. Webb, Claudia Weidenthaler and Claudia Zlotea

Journal of Alloys and Compounds, 2020, 827, 153548
DOI: 10.1016/j.jallcom.2019.153548

Predicting Hydrogen Storage in Mofs via Machine Learning

Alauddin Ahmed and Donald J. Siegel

SSRN Journal, 2020
DOI: 10.2139/ssrn.3751763

Design Rules for Metal‐Organic Framework Stability in High‐Pressure Hydrogen Environments

Timothy C. Wang, James L. White, Binglin Bie, Hexiang Deng, Jane Edgington, Joshua D. Sugar, Vitalie Stavila and Mark D. Allendorf

ChemPhysChem, 2019, 20, 1305
DOI: 10.1002/cphc.201801190

Prediction of hydrogen storage in metal-organic frameworks: A neural network based approach

Shivanshu Shekhar and Chandra Chowdhury

Results in Surfaces and Interfaces, 2024, 14, 100166
DOI: 10.1016/j.rsurfi.2023.100166

A Self-Evolutionary Methodology for Reverse Design of Novel MOFs

Tongan Yan, Zhiyuan Bi, Dahuan Liu, Xiaonan Zhang, Gang Lu and Qingyuan Yang

J. Phys. Chem. A, 2022, 126, 8476
DOI: 10.1021/acs.jpca.2c05647

Enhanced hydrogen adsorption-desorption reversibility found on NiAl alloy: A first-principles study

Patcharaporn Khajondetchairit, Arisa Kaewpratoom, Meena Rittiruam, Tinnakorn Saelee, Pussana Hirunsit, Suwit Suthirakun, Piyasan Praserthdam and Supareak Praserthdam

International Journal of Hydrogen Energy, 2024, 68, 8
DOI: 10.1016/j.ijhydene.2024.04.183

Effects of cerium content on the structure and hydrogen-storage properties of the A2B7-type Lanthanum–Cerium–Yttrium–Nickel system

Xiangyang He, Li Wang, Baoquan Li, Shujuan Zhou, Xu Zhang, Yuyuan Zhao, Jin Xu, Jin Li and Huizhong Yan

Journal of Energy Storage, 2025, 131, 117416
DOI: 10.1016/j.est.2025.117416

Complex Hydrides for Energy Storage, Conversion, and Utilization

Teng He, Hujun Cao and Ping Chen

Advanced Materials, 2019, 31
DOI: 10.1002/adma.201902757

Structural, electronic, and hydrogen storage properties of pristine and Mn-decorated TH-graphyne: A DFT-D2 perspective

Majid Afshari, Mohammad Hossein Darvishnejad and Amir Hossein Cheshme Khavar

International Journal of Hydrogen Energy, 2026, 199, 152814
DOI: 10.1016/j.ijhydene.2025.152814

US Department of Energy hydrogen and fuel cell technologies perspectives

Eric L. Miller, Simon T. Thompson, Katie Randolph, Zeric Hulvey, Neha Rustagi and Sunita Satyapal

MRS Bull., 2020, 45, 57
DOI: 10.1557/mrs.2019.312

Machine learning-assisted design of metal–organic frameworks for hydrogen storage: A high-throughput screening and experimental approach

Wan-Tae Kim, Weon-Gyu Lee, Hong-Eun An, Hiroyasu Furukawa, WooSeok Jeong, Sung-Chul Kim, Jeffrey R. Long, Sohee Jeong and Jung-Hoon Lee

Chemical Engineering Journal, 2025, 507, 160766
DOI: 10.1016/j.cej.2025.160766

Nanostructured covalent organic frameworks with elevated crystallization for (electro)photocatalysis and energy storage devices

Haoyun Chen, Xingzhong Yuan, Hou Wang, Hanbo Yu and Longbo Jiang

J Mater Sci, 2021, 56, 13875
DOI: 10.1007/s10853-021-05872-8

Metal‐Organic Frameworks (MOFs) As Hydrogen Storage Materials At Near‐Ambient Temperature

Ashley L. Sutton, James I. Mardel and Matthew R. Hill

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202400717

Effect of the incorporation of GO on the adsorption performance of hydrogen on ZIF-8 composites for on board applications: By DFT calculations and experiments

Mengbo Wu and Qingrong Zheng

International Journal of Hydrogen Energy, 2025, 115, 81
DOI: 10.1016/j.ijhydene.2025.02.428

Tuning Crystal Morphology in MOFs for Improved Hydrogen Storage

Ruthradharshini Murugavel, Ali A. Rownaghi and Fateme Rezaei

ACS Appl. Nano Mater., 2024, 7, 23733
DOI: 10.1021/acsanm.4c04072

Computational Investigation of a Reversible Energy Storage Medium in g-B5N3 Decorated by Lithium

Xihao Chen, Liang Zhang, Huaijie Jia and Peng Gao

Langmuir, 2024, 40, 11582
DOI: 10.1021/acs.langmuir.4c00779

Transition metal-free Me3SiCl synthesis of α-AlH3 with enhanced thermal stability via dual lithium hydride templating

Xiaohui Xing, Chuanbao Cao, Rongkai Pan, Shukui Li and Jiping Liu

International Journal of Hydrogen Energy, 2025, 176, 151524
DOI: 10.1016/j.ijhydene.2025.151524

Room temperature hydrogen storage in defective single-walled carbon nanotubes: a molecular dynamics study

Mohit Garg, Sarbani Ghosh and Venkat Padmanabhan

Lett. Mater., 2021, 11, 321
DOI: 10.22226/2410-3535-2021-3-321-326

Phototriggered Desorption of Hydrogen, Ethylene, and Carbon Monoxide from a Cu(I)-Modified Covalent Organic Framework

Rachel E. Mow, Lucy J. T. Metzroth, Michael J. Dzara, Glory A. Russell-Parks, Justin C. Johnson, Derek R. Vardon, Svitlana Pylypenko, Shubham Vyas, Thomas Gennett and Wade A. Braunecker

J. Phys. Chem. C, 2022, 126, 14801
DOI: 10.1021/acs.jpcc.2c03194

A Precious Catalyst: Rhodium‐Catalyzed Formic Acid Dehydrogenation in Water

Cornel Fink and Gábor Laurenczy

Eur J Inorg Chem, 2019, 2019, 2381
DOI: 10.1002/ejic.201900344

Reticular Chemistry for Highly Porous Metal–Organic Frameworks: The Chemistry and Applications

Zhijie Chen, Kent O. Kirlikovali, Peng Li and Omar K. Farha

Acc. Chem. Res., 2022, 55, 579
DOI: 10.1021/acs.accounts.1c00707

Hydrogen densification in carbon nanopore confinement: Insights from small-angle neutron scattering using a hierarchical contrast model

Sebastian Stock, Malina Seyffertitz, Nikolaos Kostoglou, Max Valentin Rauscher, Volker Presser, Bruno Demé, Viviana Cristiglio, Markus Kratzer, Stéphane Rols, Christian Mitterer and Oskar Paris

Carbon, 2024, 221, 118911
DOI: 10.1016/j.carbon.2024.118911

ToF-SIMS in material research: A view from nanoscale hydrogen detection

Binod Paudel, Jeffrey A. Dhas, Yadong Zhou, Min-Ju Choi, David J. Senor, Chih-Hung Chang, Yingge Du and Zihua Zhu

Materials Today, 2024, 75, 149
DOI: 10.1016/j.mattod.2024.03.003

Challenges of Green Transition in Polymer Production: Applications in Zero Energy Innovations and Hydrogen Storage

Iva Rezić and Ernest Meštrović

Polymers, 2024, 16, 1310
DOI: 10.3390/polym16101310

Advances in hydrogen storage materials: harnessing innovative technology, from machine learning to computational chemistry, for energy storage solutions

Ahmed I. Osman, Mahmoud Nasr, Abdelazeem S. Eltaweil, Mohamed Hosny, Mohamed Farghali, Ahmed S. Al-Fatesh, David W. Rooney and Eman M. Abd El-Monaem

International Journal of Hydrogen Energy, 2024, 67, 1270
DOI: 10.1016/j.ijhydene.2024.03.223

Controllability construction and structural regulation of metal-organic frameworks for hydrogen storage at ambient condition: A review

Wenzhe Bao, Junwei Yu, Feifei Chen, Hengke Du, Wanqin Zhang, Shuhan Yan, Tianhao Lin, Jialin Li, Xian Zhao and Bo Zhu

International Journal of Hydrogen Energy, 2023, 48, 36010
DOI: 10.1016/j.ijhydene.2023.06.006

Recent advancement in metal-organic frameworks for hydrogen storage: Mechanisms, influencing factors and enhancement strategies

Wenqi Shi, Xu Jin, Chenjun Zhang, Xi Zhang, Xiaodan Liu, Yan Gao, Wenting Ding, Hongyi Gao and Ang Li

International Journal of Hydrogen Energy, 2024, 83, 432
DOI: 10.1016/j.ijhydene.2024.08.111

The “electric-dipole” effect of Pt–Ni for enhanced catalytic dehydrogenation of ammonia borane

Bin Wang, Laifei Xiong, Hanjing Hao, Hairui Cai, Pengfei Gao, Fuzhu Liu, Xiaojing Yu, Chao Wu and Shengchun Yang

Journal of Alloys and Compounds, 2020, 844, 156253
DOI: 10.1016/j.jallcom.2020.156253

Understanding the mechanism of hydrogen storage on pristine B2CO monolayer: A DFT study

Rushba Zulfiqar, Abdul Majid, Mohammad Alkhedher, Sajjad Haider, Kamran Alam and Salahuddin Khan

International Journal of Hydrogen Energy, 2025, 111, 681
DOI: 10.1016/j.ijhydene.2025.02.322

Hydrogenated graphene: Important material properties regarding its application for hydrogen storage

James R. Morse, David A. Zugell, Eric Patterson, Jeffrey W. Baldwin and Heather D. Willauer

Journal of Power Sources, 2021, 494, 229734
DOI: 10.1016/j.jpowsour.2021.229734

Volumetrics of Hydrogen Storage by Physical Adsorption

Sai Smruti Samantaray, Seth T. Putnam and Nicholas P. Stadie

Inorganics, 2021, 9, 45
DOI: 10.3390/inorganics9060045

Interactions of Hydrogen with Pd@MOF Composites

Abdelmalek Malouche, Claudia Zlotea and Petra Ágota Szilágyi

ChemPhysChem, 2019, 20, 1282
DOI: 10.1002/cphc.201801092

High-capacity hydrogen storage on transition metals (Mn, Cd, Ge) decorated graphene: a DFT study on optimum adsorption and Kubas interaction

Muhammad Irfan, Asmaa Farouk, Mohamed S. Hamdy, Abdullah Almohammedi, Norkulov Uchkun Munavvarovic and Mavjuda Abdurakhmanova Ergashboyevna

J Nanopart Res, 2026, 28
DOI: 10.1007/s11051-026-06568-3

Exceptional hydrogen storage achieved by screening nearly half a million metal-organic frameworks

Alauddin Ahmed, Saona Seth, Justin Purewal, Antek G. Wong-Foy, Mike Veenstra, Adam J. Matzger and Donald J. Siegel

Nat Commun, 2019, 10
DOI: 10.1038/s41467-019-09365-w

Computational Investigation of Metal Oxides as Candidate Hydrogen Storage Materials

Rebecca B. Goncalves, Randall Q. Snurr and Joseph T. Hupp

J. Phys. Chem. C, 2022, 126, 18661
DOI: 10.1021/acs.jpcc.2c04556

Hydrogen technologies for energy storage: A perspective

Ned Stetson and Marika Wieliczko

MRS Energy & Sustainability, 2020, 7
DOI: 10.1557/mre.2020.43

Achieving 9.7 wt% hydrogen mass fraction with enhanced adsorption in wavy alternating magnesium/chromium–titanium alloy monolayers

Xing Yang, Xuchang Zhang, Dan Cai, Yongpeng Xia and Chaohao Hu

International Journal of Hydrogen Energy, 2026, 217, 153959
DOI: 10.1016/j.ijhydene.2026.153959

A Theoretical Investigation of Cu+, Ni2+ and Co2+‐Exchanged Zeolites for Hydrogen Storage

M. Olus Ozbek and Bahar Ipek

ChemPhysChem, 2022, 23
DOI: 10.1002/cphc.202200272

Bridging Materials and Analytics: A Comprehensive Review of Characterization Approaches in Metal-Based Solid-State Hydrogen Storage

Yaohui Xu, Yang Zhou, Yuting Li and Yang Zheng

Molecules, 2024, 29, 5014
DOI: 10.3390/molecules29215014

Prediction of hydrogen storage in metal-organic frameworks using CatBoost-based approach

Hui Qiu, Yongpeng Xia, Cuili Xiang, Fen Xu, Lixian Sun and Yongjin Zou

International Journal of Hydrogen Energy, 2024, 79, 952
DOI: 10.1016/j.ijhydene.2024.07.078

Influence of oxidation on hydrogen storage properties in titanium-based materials

M. Anas, Swetarekha Ram, K. Thekkepat, Young-Su Lee, Satadeep Bhattacharjee and Seung-Cheol Lee

International Journal of Hydrogen Energy, 2025, 105, 148
DOI: 10.1016/j.ijhydene.2024.12.484

High-performance decomposition of hydrazine hydrate to H2 under mild conditions over mechanochemically-synthesized NiO/La2O3 catalysts

Fateme Ghaffari, Seyed Mehdi Alavi and Mehran Rezaei

International Journal of Hydrogen Energy, 2026, 230, 154754
DOI: 10.1016/j.ijhydene.2026.154754

Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents

Marina Barsukova, Aleksandr Sapianik, Vincent Guillerm, Aleksander Shkurenko, Aslam C. Shaikh, Prakash Parvatkar, Prashant M. Bhatt, Mickaele Bonneau, Abdulhadi Alhaji, Osama Shekhah, Salvador R. G. Balestra, Rocio Semino, Guillaume Maurin and Mohamed Eddaoudi

Nat. Synth, 2023, 3, 33
DOI: 10.1038/s44160-023-00401-8

Facile fabrication of hollow cubic NiCo2O4 loaded NiS towards hydrogen storage performances improvement of MgH2

Ping Wu, Lirong Xiao, Manfu Jiang, Li Liu, Cui Ni, Chuanxin Hou, Hu Liu, Wei Du and Xiubo Xie

Applied Surface Science, 2025, 714, 164496
DOI: 10.1016/j.apsusc.2025.164496

Dynamic modeling and thermal management of a Power-to-Power system with hydrogen storage in microporous adsorbent materials

Elena Rozzi, Francesco Demetrio Minuto and Andrea Lanzini

Journal of Energy Storage, 2021, 41, 102953
DOI: 10.1016/j.est.2021.102953

First-principles study of Li-doped planar g-C3N5 as reversible H2 storage material

Xihao Chen, Zonghang Liu, Jiang Cheng, Jiwen Li, Donglin Guo, Liang Zhang, Xianghong Niu, Ning Wang, Guangzhao Wang and Peng Gao

Front. Chem., 2023, 11
DOI: 10.3389/fchem.2023.1301690

Crystal Structure Prediction and Performance Assessment of Hydrogen Storage Materials: Insights from Computational Materials Science

Xi Yang, Yuting Li, Yitao Liu, Qian Li, Tingna Yang and Hongxing Jia

Energies, 2024, 17, 3591
DOI: 10.3390/en17143591

Complexity in Order: High-Porosity Multicomponent Metal–Organic Frameworks for Clean Energy Gas Storage

Yuanlong Zhong, Puhao Fang, Mengyang Zhai, Zhengyu Low and Zhijie Chen

J. Am. Chem. Soc., 2025, 147, 45377
DOI: 10.1021/jacs.5c15567

Using Additives to Control the Decomposition Temperature of Sodium Borohydride

Camille Jubert Tomasso, Anne L. Pham, Tracy M. Mattox and Jeffrey J. Urban

J Energ Power Technol, 2020, 02, 1
DOI: 10.21926/jept.2002009

Efficient hydrogen storage using Pt-incorporated nitrogen/oxygen-containing activated carbon with an ultra-large pore volume

Seungjin Lee, Kwang Hyun Oh, Seenu Ravi and Youn-sang Bae

Journal of Industrial and Engineering Chemistry, 2025, 145, 452
DOI: 10.1016/j.jiec.2024.10.040

Advanced simulations from DFT to machine learning for solid-state hydrogen storage: fundamentals, progresses, challenges and perspectives

Shuling Chen, Mei Yang, Shaoyang Shen and Liuzhang Ouyang

Progress in Materials Science, 2026, 159, 101653
DOI: 10.1016/j.pmatsci.2025.101653

Improving Reproducibility in Hydrogen Storage Material Research

Darren P. Broom and Michael Hirscher

ChemPhysChem, 2021, 22, 2141
DOI: 10.1002/cphc.202100508

Highly Porous Organic Polymers for Hydrogen Fuel Storage

Kimberley Cousins and Renwu Zhang

Polymers, 2019, 11, 690
DOI: 10.3390/polym11040690

Benchmarking the Performance of the ReaxFF Reactive Force Field on Hydrogen Combustion Systems

Luke W. Bertels, Lucas B. Newcomb, Mohammad Alaghemandi, Jason R. Green and Martin Head-Gordon

J. Phys. Chem. A, 2020, 124, 5631
DOI: 10.1021/acs.jpca.0c02734

Grand Canonical Monte Carlo simulations of the hydrogen and methane storage capacities of JLU-MOF120 and JLU-MOF121

A. Granja-DelRío and I. Cabria

International Journal of Hydrogen Energy, 2024, 61, 57
DOI: 10.1016/j.ijhydene.2024.02.311

Tailoring Hydrogen Storage Materials Kinetics and Thermodynamics Through Nanostructuring, and Nanoconfinement With In‐Situ Catalysis

Darvaish Khan and Wee‐Jun Ong

Interdisciplinary Materials, 2025, 4, 249
DOI: 10.1002/idm2.12234

Experimental and theoretical investigation of hydrogen sorption by SnO 2 nanostructures in a metal–organic framework scaffold

Rebecca B. Goncalves, Zhihengyu Chen, Karena W. Chapman, Randall Q. Snurr and Joseph T. Hupp

Molecular Physics, 2025, 123
DOI: 10.1080/00268976.2025.2499204

Synthesis of methylene crosslinked 25,26,27,28‐tetrahydroxycalix[4]arene resin loading metallic palladium {MC‐[4]H‐Pd(0)}—A candidate of solid‐state hydrogen storage material

Yoga Priastomo, Rui Higo, Shintaro Morisada, Hidetaka Kawakita, Keisuke Ohto, Jumina Jumina and Retno Arianingrum

Vietnam Journal of Chemistry, 2025, 63, 615
DOI: 10.1002/vjch.202400019

In Silico High-Throughput Design and Prediction of Structural and Electronic Properties of Low-Dimensional Metal–Organic Frameworks

Zeyu Zhang, Dylan S. Valente, Yuliang Shi, Dil K. Limbu, Mohammad R. Momeni and Farnaz A. Shakib

ACS Appl. Mater. Interfaces, 2023, 15, 9494
DOI: 10.1021/acsami.2c22665

Density Functionals for Hydrogen Storage: Defining the H2Bind275 Test Set with Ab Initio Benchmarks and Assessment of 55 Functionals

Srimukh Prasad Veccham and Martin Head-Gordon

J. Chem. Theory Comput., 2020, 16, 4963
DOI: 10.1021/acs.jctc.0c00292

Ti-decorated B-doped biphenylene: A hydrogen storage sponge at room temperature

Li-Juan Ma, Jianfeng Wang, Yilan Sun, Jianfeng Jia and Hai-Shun Wu

International Journal of Hydrogen Energy, 2024, 91, 29
DOI: 10.1016/j.ijhydene.2024.10.132

Hydrogen storage on the lithium and sodium-decorated inorganic graphenylene

Nicolas F. Martins, Ary S. Maia, José A.S. Laranjeira, Guilherme S.L. Fabris, Anderson R. Albuquerque and Julio R. Sambrano

International Journal of Hydrogen Energy, 2024, 51, 98
DOI: 10.1016/j.ijhydene.2023.10.328

Gas Adsorption Snapshots in Metal–Organic Frameworks Unveil the Impact of Pore Geometry on Hydrogen Storage

Nan Chieh Chiu, Andrzej Gładysiak, Ankit K. Yadav, Coset Abreu-Jaureguí, Alicia Manjón-Sanz, Cheng Li, Hongliang Huang, Joaquin Silvestre-Albero and Kyriakos C. Stylianou

ACS Materials Lett., 2024, 6, 4098
DOI: 10.1021/acsmaterialslett.4c01246

Influence of N and B doping on advancing hydrogen storage capabilities of 2D polyaramid

Antara Vaidyanathan, Vaibhav Wagh and Brahmananda Chakraborty

International Journal of Hydrogen Energy, 2026, 202, 153015
DOI: 10.1016/j.ijhydene.2025.153015

Molecular Spheres Inspired Self-Assembly of Hydrolytically Stable Mesoporous Zirconium-Based Metal–Organic Frameworks

Hong-Xin Li, Zong-Hui Zhang, Qian Wang, Dong-Xu Xue and Junfeng Bai

Crystal Growth & Design, 2020, 20, 8015
DOI: 10.1021/acs.cgd.0c01265

Fundamentals of hydrogen storage in nanoporous materials

Linda Zhang, Mark D Allendorf, Rafael Balderas-Xicohténcatl, Darren P Broom, George S Fanourgakis, George E Froudakis, Thomas Gennett, Katherine E Hurst, Sanliang Ling, Chiara Milanese, Philip A Parilla, Daniele Pontiroli, Mauro Riccò, Sarah Shulda, Vitalie Stavila, Theodore A Steriotis, Colin J Webb, Matthew Witman and Michael Hirscher

Prog. Energy, 2022, 4, 042013
DOI: 10.1088/2516-1083/ac8d44

Cost and potential of metal–organic frameworks for hydrogen back-up power supply

Peng Peng, Aikaterini Anastasopoulou, Kriston Brooks, Hiroyasu Furukawa, Mark E. Bowden, Jeffrey R. Long, Tom Autrey and Hanna Breunig

Nat Energy, 2022, 7, 448
DOI: 10.1038/s41560-022-01013-w

Insights into hydrogen and methane storage capacities: Grand canonical Monte Carlo simulations of SIGSUA

A. Granja-DelRío and I. Cabria

The Journal of Chemical Physics, 2024, 160
DOI: 10.1063/5.0193291

Non-noble metal based catalysts with hydrogen spillover mechanism for carbon-based hydrogen storage materials

Wanqin Zhang, Wenzhe Bao, Feifei Chen, Jialin Li, Liyuan Yu, Ruochu Liu, Chong Chi, Junwei Yu, Xian Zhao and Bo Zhu

International Journal of Hydrogen Energy, 2024, 88, 945
DOI: 10.1016/j.ijhydene.2024.09.215

State-of-the-art review on hydrogen’s production, storage, and potential as a future transportation fuel

Sonanki Keshri, Suriyanarayanan Sudha and Abhishek Keshav Sharan Saxena

Environ Sci Pollut Res, 2024, 32, 13361
DOI: 10.1007/s11356-024-34098-9

Grand canonical Monte Carlo simulations of the hydrogen and methane storage capacities of novel but MOFs at room temperature

I. Cabria

International Journal of Hydrogen Energy, 2024, 50, 160
DOI: 10.1016/j.ijhydene.2023.06.298

Computational insights into the energy storage of ultraporous MOFs NU-1501-M (M = Al or Fe): Protonization revealing and performance improving by decoration of superalkali clusters

Peng Gao, Jun Zhang, Zonghang Liu and Xiaohui Hu

International Journal of Hydrogen Energy, 2022, 47, 41034
DOI: 10.1016/j.ijhydene.2022.09.166

Efficient Hydrogen Production from Methanol Using a Single-Site Pt1/CeO2 Catalyst

Lu-Ning Chen, Kai-Peng Hou, Yi-Sheng Liu, Zhi-Yuan Qi, Qi Zheng, Yi-Hsien Lu, Jia-Yu Chen, Jeng-Lung Chen, Chih-Wen Pao, Shuo-Bo Wang, Yao-Bin Li, Shao-Hua Xie, Fu-Dong Liu, David Prendergast, Leonard E. Klebanoff, Vitalie Stavila, Mark D. Allendorf, Jinghua Guo, Lan-Sun Zheng, Ji Su and Gabor A. Somorjai

J. Am. Chem. Soc., 2019, 141, 17995
DOI: 10.1021/jacs.9b09431

Hydrogen encapsulation properties of heteroatoms doped fullerenes: A DFT study for potential hydrogen storage application

Idongesit J. Mbonu, Musa Runde, Destiny E. Charlie and Karwan Wasman Qadir

Diamond and Related Materials, 2025, 152, 111994
DOI: 10.1016/j.diamond.2025.111994

Electrochemical thrombin aptasensor based on using magnetic nanoparticles and porous carbon prepared by carbonization of a zinc(II)-2-methylimidazole metal-organic framework

Qian Ren, Xianzhen Xu, Guangping Cao, Jianfei Xia, Zonghua Wang and Qingyun Liu

Microchim Acta, 2019, 186
DOI: 10.1007/s00604-019-3781-2

Assessment of Performance of Density Functionals for Predicting Potential Energy Curves in Hydrogen Storage Applications

Srimukh Prasad Veccham and Martin Head-Gordon

J. Phys. Chem. A, 2021, 125, 4245
DOI: 10.1021/acs.jpca.1c01041

Molecular Adsorption of H2 on Small Neutral Silver–Copper Bimetallic Nanoparticles: A Search for Novel Hydrogen Storage Materials

Sathya M. Perera, Samanthika R. Hettiarachchi and Jinasena W. Hewage

ACS Omega, 2022, 7, 2316
DOI: 10.1021/acsomega.1c06146

Computational Screening of Metal-Catecholate-Functionalized Metal–Organic Frameworks for Room-Temperature Hydrogen Storage

Haoyuan Chen and Randall Q. Snurr

J. Phys. Chem. C, 2021, 125, 21701
DOI: 10.1021/acs.jpcc.1c06549

Investigation on platinum loaded multi-walled carbon nanotubes for hydrogen storage applications

Anshu Sharma

International Journal of Hydrogen Energy, 2020, 45, 2967
DOI: 10.1016/j.ijhydene.2019.11.093

Effect of carbon nanoscaffolds on hydrogen storage performance of magnesium hydride

Dong Ju Han, Ki Ryuk Bang, Hyun Cho and Eun Seon Cho

Korean J. Chem. Eng., 2020, 37, 1306
DOI: 10.1007/s11814-020-0630-2

Potential applications of OLi3-decorated h-BN monosheet for high hydrogen storage

Ningning Zhang, Yongting Shi, Jiwen Li, Yujuan Zhang, Jinghua Guo, Zhenguo Fu and Ping Zhang

Applied Physics Letters, 2023, 123
DOI: 10.1063/5.0159978

Computational Optimization of Room Temperature Usable Capacity for Hydrogen Storage in MFU-4-Type Metal–Organic Frameworks via Pairwise Metal Substitutions

Nikolay V. Tkachenko, Yuto Yabuuchi, Kurtis M. Carsch, Hiroyasu Furukawa, Jeffrey R. Long and Martin Head-Gordon

J. Phys. Chem. C, 2025, 129, 167
DOI: 10.1021/acs.jpcc.4c07631

Tailoring hierarchical pore structures in carbon scaffolds for hydrogen storage of nanoconfined magnesium

Dong Ju Han, Choah Kwon, YongJun Cho, Kouji Sakaki, Sangtae Kim and Eun Seon Cho

Chemical Engineering Journal, 2024, 481, 148451
DOI: 10.1016/j.cej.2023.148451

Balancing Nucleation and Growth Kinetics Enables Fully‐Coordinated Acetic Acid‐Tethered Metal–Organic Frameworks for Technoeconomic‐Viable Hydrogen Storage

Zi Li, Yifeng Li, Ke Huang, Shouyi Hu, Yinghui Li, Haoliang Hong, Xusheng Wang, Xi Lin, Fengzhan Sun, Binjian Nie, Wen Yin, Zhigang Hu and Jianxin Zou

Advanced Energy Materials, 2025, 15
DOI: 10.1002/aenm.202503259

Hydrogen storage potential of beryllium-decorated chalcogenated hetero[8]circulenes: Insight from a theoretical perspective

Gideon A. Okon, Victor Emeka Ihuomah, Ernest C. Agwamba, Amran Mezher Lawas and Musa Runde

Journal of Energy Storage, 2026, 141, 119448
DOI: 10.1016/j.est.2025.119448

Binding and activation of dihydrogen and other small molecules in a dirhodium paddle wheel unit based three-dimensional porous coordination polymer: FTIR and computational studies

Peter A. Georgiev and Nikola Drenchev

Inorganica Chimica Acta, 2025, 586, 122778
DOI: 10.1016/j.ica.2025.122778

Aluminum hydride for solid-state hydrogen storage: Structure, synthesis, thermodynamics, kinetics, and regeneration

Haizhen Liu, Longfei Zhang, Hongyu Ma, Chenglin Lu, Hui Luo, Xinhua Wang, Xiantun Huang, Zhiqiang Lan and Jin Guo

Journal of Energy Chemistry, 2021, 52, 428
DOI: 10.1016/j.jechem.2020.02.008

Microwave-assistant preparation of N/S co-doped hierarchical porous carbons for hydrogen adsorption

Dandan Wang, Yongli Shen, Yanli Chen, Lili Liu and Yunfeng Zhao

Chemical Engineering Journal, 2019, 367, 260
DOI: 10.1016/j.cej.2019.02.150

Computational Evaluation of Al-Decorated g-CN Nanostructures as High-Performance Hydrogen-Storage Media

Peng Gao, Xihao Chen, Jiwen Li, Yue Wang, Ya Liao, Shichang Liao, Guangyu Zhu, Yuebin Tan and Fuqiang Zhai

Nanomaterials, 2022, 12, 2580
DOI: 10.3390/nano12152580

In‐Situ/Operando X‐ray Characterization of Metal Hydrides

Yi‐Sheng Liu, Sohee Jeong, James L. White, Xuefei Feng, Eun Seon Cho, Vitalie Stavila, Mark D. Allendorf, Jeffrey J. Urban and Jinghua Guo

ChemPhysChem, 2019, 20, 1261
DOI: 10.1002/cphc.201801185

Recent advances of functional heterometallic-organic framework (HMOF) materials: Design strategies and applications

Jiao Liu, Juanjuan Xue, Guo-Ping Yang, Li-Long Dang, Lu-Fang Ma, Dong-Sheng Li and Yao-Yu Wang

Coordination Chemistry Reviews, 2022, 463, 214521
DOI: 10.1016/j.ccr.2022.214521

Physics-Informed Analytical Models for Interpretable and Deployable Hydrogen Storage Prediction in MOFs

Alauddin Ahmed

PRX Energy, 2025, 4
DOI: 10.1103/glnw-drn4

Effects of highly dispersed Ni nanoparticles on the hydrogen storage performance of MgH2

Nuo Xu, Zirui Yuan, Zhihong Ma, Xinli Guo, Yunfeng Zhu, Yongjin Zou and Yao Zhang

Int J Miner Metall Mater, 2023, 30, 54
DOI: 10.1007/s12613-022-2510-8

Thorough economic and carbon footprint analysis of overall hydrogen supply for different hydrogen carriers from overseas production to inland distribution

Ayeon Kim, Hyunjun Lee, Boris Brigljević, Youngdon Yoo, Suhyun Kim and Hankwon Lim

Journal of Cleaner Production, 2021, 316, 128326
DOI: 10.1016/j.jclepro.2021.128326

Enhanced Hydrogen Storage Capacity in OLi3-Decorated Holey Graphitic Carbon Nitride Monolayer

Ningning Zhang, Mingyu Wu, Jiwen Li, Wenting Lv, Jinghua Guo, Yu Yang, Yujuan Zhang and Ping Zhang

ACS Appl. Mater. Interfaces, 2025, 17, 1971
DOI: 10.1021/acsami.4c17116

Mechanisms of adsorbing hydrogen gas on metal decorated graphene

Yasmine S. Al-Hamdani, Andrea Zen, Angelos Michaelides and Dario Alfè

Phys. Rev. Materials, 2023, 7
DOI: 10.1103/PhysRevMaterials.7.035402

Polymer-Coated Covalent Organic Frameworks as Porous Liquids for Gas Storage

Rachel E. Mow, Glory A. Russell-Parks, Grace E. B. Redwine, Brittney E. Petel, Thomas Gennett and Wade A. Braunecker

Chem. Mater., 2024, 36, 1579
DOI: 10.1021/acs.chemmater.3c02828

High-Pressure Hydrogen Adsorption on a Porous Electron-Rich Covalent Organonitridic Framework

Maxwell Murialdo, Nicholas J. Weadock, Yiqun Liu, Channing C. Ahn, Sarah E. Baker, Kai Landskron and Brent Fultz

ACS Omega, 2019, 4, 444
DOI: 10.1021/acsomega.8b03206

Bifunctional Ru‐Cluster‐Decorated Co3B−Co(OH)2 Hybrid Catalyst Synergistically Promotes NaBH4 Hydrolysis and Water Splitting

Huatong Li, Zhengqi Liu, Lixia Wang, Man Guo, Tayirjan Taylor Isimjan and Xiulin Yang

Chemistry A European J, 2023, 29
DOI: 10.1002/chem.202203207

Li-decorated BC3 nanopores: Promising materials for hydrogen storage

I. Cabria, A. Lebon, M.B. Torres, L.J. Gallego and A. Vega

International Journal of Hydrogen Energy, 2024, 57, 26
DOI: 10.1016/j.ijhydene.2023.12.217

Hydrogen adsorption on metal-decorated BN atom-pair substituted biphenylene network: A DFT investigation

Li-Juan Ma, Jingru Xu, Jianfeng Wang, Jianfeng Jia and Hai-Shun Wu

Journal of Energy Storage, 2025, 114, 115889
DOI: 10.1016/j.est.2025.115889

Progress and perspectives of green hydrogen production by splitting atmospheric water

Shuhang Ye, Jiaxing Xu, Pengfei Wang, Zhaoyuan Bai and Tingxian Li

Chemical Engineering Journal, 2025, 521, 166684
DOI: 10.1016/j.cej.2025.166684

Post-hybridization of MIL-101(Cr) with graphene oxide enhances its hydrogen storage and release capacities

Laura Jimenez Lopez, Rafael Morales Ospino, Rosana V. Pinto, Jimena Castro-Gutiérrez, Georges Mouchaham, Christian Serre, Alain Celzard and Vanessa Fierro

Energy Mater., 2025, 5
DOI: 10.20517/energymater.2025.101

A review on current trends in potential use of metal-organic framework for hydrogen storage

Sachin P. Shet, S. Shanmuga Priya, K. Sudhakar and Muhammad Tahir

International Journal of Hydrogen Energy, 2021, 46, 11782
DOI: 10.1016/j.ijhydene.2021.01.020

Thermally-driven physisorption-based hydrogen compressors

Munkhshur Myekhlai, Sejin Park, James E.A. Webb and Hyunchul Oh

Coordination Chemistry Reviews, 2024, 519, 216123
DOI: 10.1016/j.ccr.2024.216123

Concepts for improving hydrogen storage in nanoporous materials

D.P. Broom, C.J. Webb, G.S. Fanourgakis, G.E. Froudakis, P.N. Trikalitis and M. Hirscher

International Journal of Hydrogen Energy, 2019, 44, 7768
DOI: 10.1016/j.ijhydene.2019.01.224

Surviving Under Pressure: The Role of Solvent, Crystal Size, and Morphology During Pelletization of Metal–Organic Frameworks

Timothy C. Wang, Ashley M. Wright, William J. Hoover, Kevin J. Stoffel, Rachelle K. Richardson, Stephanie Rodriguez, Roberto C. Flores, John P. Siegfried, Nicolaas A. Vermeulen, Patrick E. Fuller, Mitchell H. Weston, Omar K. Farha and William Morris

ACS Appl. Mater. Interfaces, 2021, 13, 52106
DOI: 10.1021/acsami.1c09619

Geometric Tuning of Coordinatively Unsaturated Copper(I) Sites in Metal–Organic Frameworks for Ambient-Temperature Hydrogen Storage

Yuto Yabuuchi, Hiroyasu Furukawa, Kurtis M. Carsch, Ryan A. Klein, Nikolay V. Tkachenko, Adrian J. Huang, Yongqiang Cheng, Keith M. Taddei, Eric Novak, Craig M. Brown, Martin Head-Gordon and Jeffrey R. Long

J. Am. Chem. Soc., 2024, 146, 22759
DOI: 10.1021/jacs.4c08039

Vertical two-dimensional layered fused aromatic ladder structure

Hyuk-Jun Noh, Yoon-Kwang Im, Soo-Young Yu, Jeong-Min Seo, Javeed Mahmood, Taner Yildirim and Jong-Beom Baek

Nat Commun, 2020, 11
DOI: 10.1038/s41467-020-16006-0

Calculated Outstanding Energy-Storage Media by Aluminum-Decorated Carbon Nitride (g-C3N4): Elucidating the Synergistic Effects of Electronic Structure Tuning and Localized Electron Redistribution

Peng Gao, Zonghang Liu, Jiefeng Diao, Jiaao Wang, Jiwen Li, Yuebin Tan, Guangtong Hai and Graeme Henkelman

Crystals, 2023, 13, 655
DOI: 10.3390/cryst13040655

Synthesis of boron and nitrogen co-doped carbon nanotubes and their application in hydrogen storage

Shrilekha V. Sawant, Seemita Banerjee, Ashwin W. Patwardhan, Jyeshtharaj B. Joshi and Kinshuk Dasgupta

International Journal of Hydrogen Energy, 2020, 45, 13406
DOI: 10.1016/j.ijhydene.2020.03.019

Role of metal-organic framework in hydrogen gas storage: A critical review

A.R. Yuvaraj, A. Jayarama, Deepali Sharma, Sanjog S. Nagarkar, Siddhartha P. Duttagupta and Richard Pinto

International Journal of Hydrogen Energy, 2024, 59, 1434
DOI: 10.1016/j.ijhydene.2024.02.060

Leveraging Curvature on N‐Doped Carbon Materials for Hydrogen Storage

Peter S. Rice, Gabriel Lee, Brayden Schwartz, Tom Autrey and Bojana Ginovska

Small, 2024, 20
DOI: 10.1002/smll.202310162

On the Catalytic Mechanism of 3d and 4d Transition-Metal-Based Materials on the Hydrogen Sorption Properties of Mg/MgH2

Jinzhe Lyu, Viktor Kudiiarov, Leonid Svyatkin, Andrey Lider and Kejie Dai

Catalysts, 2023, 13, 519
DOI: 10.3390/catal13030519

Synthesis and Hydrogen Adsorption Simulation of Carbonized Hyper-Cross-Linked Polymers Derived from Various Green Flavonoid Monomers

Jiahao Cheng, Xingxing Cheng, Zhiqiang Wang and Wenlong Wang

ACS Appl. Mater. Interfaces, 2026
DOI: 10.1021/acsami.6c00635

Formation of porous ice frameworks at room temperature

Yuan Liu, Weiduo Zhu, Jian Jiang, Chongqin Zhu, Chang Liu, Ben Slater, Lars Ojamäe, Joseph S. Francisco and Xiao Cheng Zeng

Proc. Natl. Acad. Sci. U.S.A., 2021, 118
DOI: 10.1073/pnas.2104442118

Nanomaterials and hydrogen production: A comprehensive Review of clean energy strategies, costs, and environmental implications

Fazil Qureshi, Mohammad Asif, Mohd Yusuf Khan, Abuzar Khan, Mohd Naved Khan, Syeda Shabih Zafar, Hesam Kamyab and Mohammad Yusuf

Results in Chemistry, 2025, 17, 102564
DOI: 10.1016/j.rechem.2025.102564

Enhanced hydrogen storage efficiency with sorbents and machine learning: a review

Ahmed I. Osman, Walaa Abd-Elaziem, Mahmoud Nasr, Mohamed Farghali, Ahmed K. Rashwan, Atef Hamada, Y. Morris Wang, Moustafa A. Darwish, Tamer A. Sebaey, A. Khatab and Ammar H. Elsheikh

Environ Chem Lett, 2024, 22, 1703
DOI: 10.1007/s10311-024-01741-3

Adsorption and Separation by Flexible MOFs

Irena Senkovska, Volodymyr Bon, Antonia Mosberger, Yutong Wang and Stefan Kaskel

Advanced Materials, 2025, 37
DOI: 10.1002/adma.202414724

A Porous Sulfonated 2D Zirconium Metal–Organic Framework as a Robust Platform for Proton Conduction

Monika Szufla, Aleksandra Choroś, Wojciech Nitek and Dariusz Matoga

Chemistry A European J, 2022, 28
DOI: 10.1002/chem.202200835

Artificial Intelligence‐Driven Innovations in Hydrogen Storage Technology

Yusong Ding, Lele Tong, Xiaolin Liu, Ying Liu and Yan Zhao

Energy & Environ Materials, 2025, 8
DOI: 10.1002/eem2.70041

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Kai Jia, Yake Wu, Xiuzhen Wang, Fuying Wu, Danhong Shang, Hong Li and Liuting Zhang

Journal of Energy Storage, 2025, 134, 118160
DOI: 10.1016/j.est.2025.118160

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Hussein A. Younus, Rashid Al Hajri, Nazir Ahmad, Noor Al-Jammal, Francis Verpoort and Mohamed Al Abri

Discov. Electrochem., 2025, 2
DOI: 10.1007/s44373-025-00043-9

Revealing enhancement mechanism of volumetric hydrogen storage capacity of nano-porous frameworks by molecular simulation

Xuanjun Wu, Yuguo Wang, Zhijun Cai, Dongmei Zhao and Weiquan Cai

Chemical Engineering Science, 2020, 226, 115837
DOI: 10.1016/j.ces.2020.115837

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Yi-Sha Chen, Jing-Jing Guo, Peng-Bo Liu, Hui-Yan Zhao, Jing Wang and Ying Liu

Journal of Energy Storage, 2026, 141, 119220
DOI: 10.1016/j.est.2025.119220

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N. Scott Bobbitt, Kaihang Shi, Benjamin J. Bucior, Haoyuan Chen, Nathaniel Tracy-Amoroso, Zhao Li, Yangzesheng Sun, Julia H. Merlin, J. Ilja Siepmann, Daniel W. Siderius and Randall Q. Snurr

J. Chem. Eng. Data, 2023, 68, 483
DOI: 10.1021/acs.jced.2c00583

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Bo Han, Mai Sheng Ng and Anutosh Chakraborty

International Journal of Hydrogen Energy, 2026, 220, 154063
DOI: 10.1016/j.ijhydene.2026.154063

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David E. Jaramillo, Henry Z. H. Jiang, Hayden A. Evans, Romit Chakraborty, Hiroyasu Furukawa, Craig M. Brown, Martin Head-Gordon and Jeffrey R. Long

J. Am. Chem. Soc., 2021, 143, 6248
DOI: 10.1021/jacs.1c01883

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Aiman Mukhtar, Azmat Hussain, Ibrahim Aladhyani, Afrah Alaotiabi, Wu Kaiming and Syed Mustansar Abbas

Journal of Industrial and Engineering Chemistry, 2026, 155, 1
DOI: 10.1016/j.jiec.2025.07.044

Machine Learning Predictions of Methane Storage in MOFs: Diverse Materials, Multiple Operating Conditions, and Reverse Models

Alauddin Ahmed, Karabi Nath, Adam J. Matzger and Donald J. Siegel

ACS Appl. Mater. Interfaces, 2024
DOI: 10.1021/acsami.4c10611

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Vladimír Zeleňák and Ivan Saldan

Nanomaterials, 2021, 11, 1638
DOI: 10.3390/nano11071638

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International Journal of Hydrogen Energy, 2024, 63, 411
DOI: 10.1016/j.ijhydene.2024.03.202

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Damian Jędrzejowski, Michał Ryndak, Gabriela Jajko-Liberka, Paweł Kozyra, Witold Piskorz, Volodymyr Bon, Stefan Kaskel and Dariusz Matoga

Chem. Mater., 2025, 37, 5206
DOI: 10.1021/acs.chemmater.5c00914

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International Journal of Hydrogen Energy, 2025, 127, 362
DOI: 10.1016/j.ijhydene.2025.01.325

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A. Granja-DelRío and I. Cabria

Adsorption, 2025, 31
DOI: 10.1007/s10450-025-00641-4