A highly efficient Li–Cu/MoOx catalyst constructed by a precursor dispersion and alkali metal-promotion stepwise regulation strategy for the CO2 hydrogenation to methanol reaction

Bin Kang, Yichi Zhang, Jian Sun, Hui Yang, Yue Su and Haiquan Su

Catal. Sci. Technol., 2024, 14, 368
DOI: 10.1039/D3CY01204B

A predicted new catalyst to replace noble metal Pd for CO oxidative coupling to DMO

Juan Zhao, Li-Fei Yin, Li-Xia Ling, Ri-Guang Zhang, Mao-Hong Fan and Bao-Jun Wang

Catal. Sci. Technol., 2022, 12, 2542
DOI: 10.1039/D1CY01631H

Effect of nanostructuring on the interaction of CO2with molybdenum carbide nanoparticles

Carlos Jimenez-Orozco, Marc Figueras, Elizabeth Flórez, Francesc Viñes, José A. Rodriguez and Francesc Illas

Phys. Chem. Chem. Phys., 2022, 24, 16556
DOI: 10.1039/D2CP01143C

State of the art and perspectives in heterogeneous catalysis of CO2hydrogenation to methanol

Jiawei Zhong, Xiaofeng Yang, Zhilian Wu, Binglian Liang, Yanqiang Huang and Tao Zhang

Chem. Soc. Rev., 2020, 49, 1385
DOI: 10.1039/C9CS00614A

Molybdenum carbide supported metal catalysts (Mn/MoxC; M = Co, Ni, Cu, Pd, Pt) – metal and surface dependent structure and stability

Fan Wang, Teng Li, Yun Shi and Haijun Jiao

Catal. Sci. Technol., 2020, 10, 3029
DOI: 10.1039/D0CY00504E

Fast synthesis of Cu@zeolitic imidazolate framework-8 (ZIF-8) derived Cu/ZnO catalysts via a facile mechanical grinding method for CO2 hydrogenation to methanol

Fei Chen, Siyu Liu, Hao Huang, Bo Wang, Zhihao Liu, Xiuyun Jiang, Wenjie Xiang, Guohui Yang, Guangbo Liu, Xiaobo Peng, Zhenzhou Zhang, Zhongyi Liu and Noritatsu Tsubaki

Chem. Sci., 2025, 16, 2273
DOI: 10.1039/D4SC07418A

Highly active Au/δ-MoC and Au/β-Mo2C catalysts for the low-temperature water gas shift reaction: effects of the carbide metal/carbon ratio on the catalyst performance

Sergio Posada-Pérez, Ramón A. Gutiérrez, Zhijun Zuo, Pedro J. Ramírez, Francesc Viñes, Ping Liu, Francesc Illas and José A. Rodriguez

Catal. Sci. Technol., 2017, 7, 5332
DOI: 10.1039/C7CY00639J

Carbothermally generated copper–molybdenum carbide supported on graphite for the CO2 hydrogenation to methanol

A. B. Dongil, J. M. Conesa, L. Pastor-Pérez, A. Sepúlveda-Escribano, A. Guerrero-Ruiz and I. Rodríguez-Ramos

Catal. Sci. Technol., 2021, 11, 4051
DOI: 10.1039/D1CY00410G

2D carbon nitride as a support with single Cu, Ag, and Au atoms for carbon dioxide reduction reaction

Sergio Posada-Pérez, Anna Vidal-López, Miquel Solà and Albert Poater

Phys. Chem. Chem. Phys., 2023, 25, 8574
DOI: 10.1039/D3CP00392B

Unlocking the potential of a Zr4N4 catalyst for the CO2 dissociation mechanism into CO and HCOOH

Niyati Gajjar, Utsav P. Prajapati, Nikhil M. Solanki, Sanjeev K. Gupta and P. N. Gajjar

Catal. Sci. Technol., 2026
DOI: 10.1039/D6CY00078A

Tuning the reactivity of molybdenum (oxy)carbide catalysts by the carburization degree: CO2 reduction and anisole hydrodeoxygenation

Jiadong Zhu, Evgeny A. Uslamin, Nikolay Kosinov and Emiel J. M. Hensen

Catal. Sci. Technol., 2020, 10, 3635
DOI: 10.1039/D0CY00484G

Oxidation of the hexagonal Mo2C(101) surface by H2O dissociative adsorption

Xinxin Tian, Tao Wang and Haijun Jiao

Catal. Sci. Technol., 2017, 7, 2789
DOI: 10.1039/C7CY00728K

Carbon dioxide and nitrogen reduction reactions using 2D transition metal dichalcogenide (TMDC) and carbide/nitride (MXene) catalysts

Zhaodong Li, Nuwan H. Attanayake, Jeffrey L. Blackburn and Elisa M. Miller

Energy Environ. Sci., 2021, 14, 6242
DOI: 10.1039/D1EE03211A

CO2 conversion over Cu–Mo2C catalysts: effect of the Cu promoter and preparation method

Eleni Heracleous, Vasiliki Koidi and Angelos A. Lappas

Catal. Sci. Technol., 2021, 11, 1467
DOI: 10.1039/D0CY02021D

A review of the catalytic hydrogenation of carbon dioxide into value-added hydrocarbons

Haiyan Yang, Chen Zhang, Peng Gao, Hui Wang, Xiaopeng Li, Liangshu Zhong, Wei Wei and Yuhan Sun

Catal. Sci. Technol., 2017, 7, 4580
DOI: 10.1039/C7CY01403A

Molybdenum carbide and oxycarbide from carbon-supported MoO3 nanosheets: phase evolution and DRM catalytic activity assessed by TEM and in situ XANES/XRD methods

Alexey Kurlov, Xing Huang, Evgeniya B. Deeva, Paula M. Abdala, Alexey Fedorov and Christoph R. Müller

Nanoscale, 2020, 12, 13086
DOI: 10.1039/D0NR02908D

Bridging Mo2C–C and highly dispersed copper by incorporating N-functional groups to greatly enhance the catalytic activity and durability for carbon dioxide hydrogenation

Kun Xiong, Guilin Zhou, Haidong Zhang, Yu Shen, Xianming Zhang, Yuhua Zhang and Jinlin Li

J. Mater. Chem. A, 2018, 6, 15510
DOI: 10.1039/C8TA04096F

Carbon dioxide hydrogenation over the carbon-terminated niobium carbide (111) surface: a density functional theory study

Saeedeh Sarabadani Tafreshi, Mahkameh Ranjbar, Maryam Jamaati, S. F. K. S. Panahi, Narges Taghizade, Mostafa Torkashvand and Nora H. de Leeuw

Phys. Chem. Chem. Phys., 2023, 25, 2498
DOI: 10.1039/D2CP04749G

Enhanced visible-light photoreduction of CO2 to methanol over Mo2C/TiO2 surfaces in an optofluidic microreactor

Jonathan Albo and Gonzalo García

React. Chem. Eng., 2021, 6, 304
DOI: 10.1039/D0RE00376J

Enhanced catalytic performance of single-atom Cu on Mo2C toward CO2/CO hydrogenation to methanol: a first-principles study

Anna Vidal-López, Estefanía Díaz López and Aleix Comas-Vives

Catal. Sci. Technol., 2024, 14, 6904
DOI: 10.1039/D4CY00703D

Promoting effect of tungsten carbide on the catalytic activity of Cu for CO2reduction

Andrey A. Koverga, Elizabeth Flórez, Ludovic Dorkis and José A. Rodriguez

Phys. Chem. Chem. Phys., 2020, 22, 13666
DOI: 10.1039/D0CP00358A

Porous crystalline frameworks for thermocatalytic CO2 reduction: an emerging paradigm

Sunil Mehla, Ahmad E. Kandjani, Ravichandar Babarao, Adam F. Lee, Selvakannan Periasamy, Karen Wilson, Seeram Ramakrishna and Suresh K. Bhargava

Energy Environ. Sci., 2021, 14, 320
DOI: 10.1039/D0EE01882A

Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and their application in CO2transformation into cyclic carbonates

Yersica Rios Yepes, Javier Martínez, Hiram Rangel Sánchez, Celso Quintero, M. Carmen Ortega-Alfaro, José G. López-Cortés, Constantin G. Daniliuc, Antonio Antiñolo, Alberto Ramos and René S. Rojas

Dalton Trans., 2020, 49, 1124
DOI: 10.1039/C9DT03808F

Spot the difference: hydrogen adsorption and dissociation on unsupported platinum and platinum-coated transition metal carbides

Andrey A. Koverga, Elizabeth Flórez, Carlos Jimenez-Orozco and José A. Rodriguez

Phys. Chem. Chem. Phys., 2021, 23, 20255
DOI: 10.1039/D1CP02974F

Recent Advances in Carbon Dioxide Adsorption, Activation and Hydrogenation to Methanol using Transition Metal Carbides

Prabodh Ranjan, Vitthal B. Saptal and Jitendra K. Bera

ChemSusChem, 2022, 15
DOI: 10.1002/cssc.202201183

Effective and Highly Selective CO Generation from CO2 Using a Polycrystalline α-Mo2C Catalyst

Xianyun Liu, Christian Kunkel, Pilar Ramírez de la Piscina, Narcís Homs, Francesc Viñes and Francesc Illas

ACS Catal., 2017, 7, 4323
DOI: 10.1021/acscatal.7b00735

A Note to Reviewers Suggesting Post-reaction Catalyst Characterization: Know What You’re Asking For

Daniel A. Ruddy, Susan E. Habas and Richard L. Brutchey

Inorg. Chem., 2025, 64, 3627
DOI: 10.1021/acs.inorgchem.5c00610

Role of surface defects in CO2 adsorption and activation on CuFeO2 delafossite oxide

Carmen Baiano, Eduardo Schiavo, Claudio Gerbaldi, Federico Bella, Giuseppina Meligrana, Giovanni Talarico, Pasqualino Maddalena, Michele Pavone and Ana B. Muñoz-García

Molecular Catalysis, 2020, 496, 111181
DOI: 10.1016/j.mcat.2020.111181

Cu-Mo2C/MCM-41: An Efficient Catalyst for the Selective Synthesis of Methanol from CO2

Xiaoran Liu, Yingquan Song, Wenhao Geng, Henan Li, Linfei Xiao and Wei Wu

Catalysts, 2016, 6, 75
DOI: 10.3390/catal6050075

Supported Molybdenum Carbide Nanoparticles as Hot Hydrogen Reservoirs for Catalytic Applications

Marc Figueras, Ramón A. Gutiérrez, Francesc Viñes, Pedro J. Ramírez, José A. Rodriguez and Francesc Illas

J. Phys. Chem. Lett., 2020, 11, 8437
DOI: 10.1021/acs.jpclett.0c02608

Theoretical Insights into Synergistic Effects at Cu/TiC Interfaces for Promoting CO2 Activation

Yanli Li, Zhongpu Fang, Hegen Zhou, Yi Li, Bin Wang, Shuping Huang, Wei Lin, Wen-Kai Chen and Yongfan Zhang

ACS Omega, 2021, 6, 27259
DOI: 10.1021/acsomega.1c04040

Theoretical Study of the Reverse Water Gas Shift Reaction on Copper Modified β-Mo2C(001) Surfaces

Huijuan Jing, Qiaohong Li, Jian Wang, Diwen Liu and Kechen Wu

J. Phys. Chem. C, 2019, 123, 1235
DOI: 10.1021/acs.jpcc.8b09884

A Review of Preparation Strategies for α-MoC1–x Catalysts

Andrea De Zanet and Simon A. Kondrat

Johnson Matthey Technology Review, 2022, 66, 285
DOI: 10.1595/205651322X16383716226126

Transition Metal Carbides: Emerging CO2 Hydrogenation Catalysts, from Recent Advance to Future Exploration

Li Wang, Haiyan Wang, Helong Huang, Tianqi Yun, Chunshan Song and Chuan Shi

Adv Funct Materials, 2024, 34
DOI: 10.1002/adfm.202309850

Construction of MoOx‐C interface with two active sites by plasma for low‐temperature reverse water‐gas shift reaction

Wanting Su, Peng Liu, Yiyi Zhao, Fang Li, Binran Zhao, Yunxiang Pan and Xiaoxun Ma

AIChE Journal, 2025, 71
DOI: 10.1002/aic.18889

Current progress of molybdenum carbide-based materials for electrocatalysis: potential electrocatalysts with diverse applications

Yanqiang Li, Zehao Yin, Xuan Liu, Ming Cui, Siru Chen and Tingli Ma

Materials Today Chemistry, 2021, 19, 100411
DOI: 10.1016/j.mtchem.2020.100411

Carbon Capture and Usage by MXenes

Raul Morales-Salvador, José D. Gouveia, Ángel Morales-García, Francesc Viñes, José R. B. Gomes and Francesc Illas

ACS Catal., 2021, 11, 11248
DOI: 10.1021/acscatal.1c02663

Supported Molybdenum Carbide and Nitride Catalysts for Carbon Dioxide Hydrogenation

Marwa Abou Hamdan, Abdallah Nassereddine, Ruben Checa, Mohamad Jahjah, Catherine Pinel, Laurent Piccolo and Noémie Perret

Front. Chem., 2020, 8
DOI: 10.3389/fchem.2020.00452

Au Single Metal Atom for Carbon Dioxide Reduction Reaction

Anna Vidal-López, Sergio Posada-Pérez, Miquel Solà and Albert Poater

Chemistry, 2023, 5, 1395
DOI: 10.3390/chemistry5020095

Transition Metal Carbides as Supports for Catalytic Metal Particles: Recent Progress and Opportunities

Hector Prats and Michail Stamatakis

J. Phys. Chem. Lett., 2024, 15, 3450
DOI: 10.1021/acs.jpclett.3c03214

Syngas Conversion to C2 Oxygenates over the Cu/β-Mo2C Catalyst: Probing into the Effect of the Interface between Cu and β-Mo2C on Catalytic Performance

Riguang Zhang, Cong Wei, Weisheng Guo, Zhiqin Li, Baojun Wang, Lixia Ling and Debao Li

J. Phys. Chem. C, 2019, 123, 21022
DOI: 10.1021/acs.jpcc.9b05963

Engineering the Cu/Mo2CTx (MXene) interface to drive CO2 hydrogenation to methanol

Hui Zhou, Zixuan Chen, Anna Vidal López, Estefanía Díaz López, Erwin Lam, Athanasia Tsoukalou, Elena Willinger, Denis A. Kuznetsov, Deni Mance, Agnieszka Kierzkowska, Felix Donat, Paula M. Abdala, Aleix Comas-Vives, Christophe Copéret, Alexey Fedorov and Christoph R. Müller

Nat Catal, 2021, 4, 860
DOI: 10.1038/s41929-021-00684-0

MXenes as promising catalysts for water dissociation

José D. Gouveia, Ángel Morales-García, Francesc Viñes, Francesc Illas and José R.B. Gomes

Applied Catalysis B: Environmental, 2020, 260, 118191
DOI: 10.1016/j.apcatb.2019.118191

Exploiting two-dimensional morphology of molybdenum oxycarbide to enable efficient catalytic dry reforming of methane

Alexey Kurlov, Evgeniya B. Deeva, Paula M. Abdala, Dmitry Lebedev, Athanasia Tsoukalou, Aleix Comas-Vives, Alexey Fedorov and Christoph R. Müller

Nat Commun, 2020, 11
DOI: 10.1038/s41467-020-18721-0

Not all platinum surfaces are the same: Effect of the support on fundamental properties of platinum adlayer and its implications for the activity toward hydrogen evolution reaction

Andrey A. Koverga, Elizabeth Flórez, Carlos Jimenez-Orozco and José A. Rodriguez

Electrochimica Acta, 2021, 368, 137598
DOI: 10.1016/j.electacta.2020.137598

CO2 to Methanol Conversion: A Bibliometric Analysis with Insights into Reaction Mechanisms, and Recent Advances in Catalytic Conversion

Shahdev Sajnani, Mazhar Ahmed Memon, Shabir Ahmed Memon, Akash Kumar, Darakhshan Mehvish, Somavia Ameen, Mukarama, Wei Zhou and Yuan Liu

Processes, 2025, 13, 314
DOI: 10.3390/pr13020314

CO2 hydrogenation to methanol on efficient Pd modified α-MoC1−x catalysts

Mingyang Cao, Yuanlin Chen, Bing Liu and Zehui Zhang

Fuel, 2024, 375, 132587
DOI: 10.1016/j.fuel.2024.132587

Highly Active Au/δ-MoC and Cu/δ-MoC Catalysts for the Conversion of CO2: The Metal/C Ratio as a Key Factor Defining Activity, Selectivity, and Stability

Sergio Posada-Pérez, Pedro J. Ramírez, Jaime Evans, Francesc Viñes, Ping Liu, Francesc Illas and José A. Rodriguez

J. Am. Chem. Soc., 2016, 138, 8269
DOI: 10.1021/jacs.6b04529

Surface and Interface Engineering: Molybdenum Carbide–Based Nanomaterials for Electrochemical Energy Conversion

Riyue Ge, Juanjuan Huo, Mingjie Sun, Mingyuan Zhu, Ying Li, Shulei Chou and Wenxian Li

Small, 2021, 17
DOI: 10.1002/smll.201903380

Key Descriptors of Single-Atom Catalysts Supported on MXenes (Mo2C, Ti2C) Determining CO2 Activation

Anna Vidal-López, Judith Mahringer and Aleix Comas-Vives

J. Phys. Chem. C, 2025, 129, 8556
DOI: 10.1021/acs.jpcc.4c07850

Two-dimensional molybdenum carbide 2D-Mo2C as a superior catalyst for CO2 hydrogenation

Hui Zhou, Zixuan Chen, Evgenia Kountoupi, Athanasia Tsoukalou, Paula M. Abdala, Pierre Florian, Alexey Fedorov and Christoph R. Müller

Nat Commun, 2021, 12
DOI: 10.1038/s41467-021-25784-0

Density functional theory study on propane dehydrogenation to propylene catalyzed by β-Mo2C(001)-based catalysts

Senlin Xu, Yanping Huang, Minmin Qie, Yunquan Yang, Weiyan Wang, Kui Wu, Wensong Li, Zhengke Li, Zhigang Shen and Hongyun Yang

International Journal of Hydrogen Energy, 2025, 179, 151711
DOI: 10.1016/j.ijhydene.2025.151711

Ethylene Hydrogenation Molecular Mechanism on MoCy Nanoparticles

Carlos Jimenez-Orozco, Elizabeth Flórez, Francesc Viñes, José A. Rodriguez and Francesc Illas

J. Phys. Chem. C, 2023, 127, 7666
DOI: 10.1021/acs.jpcc.3c00435

Porous MoxCy/SiO2 Material for CO2 Hydrogenation

Andrés A. García Blanco, Octavio J. Furlong, Dario J. Stacchiola, Karim Sapag and Marcelo S. Nazzarro

Top Catal, 2019, 62, 1026
DOI: 10.1007/s11244-019-01195-w

Green Conversion of Epoxides to Cyclic Carbonates by Copper Nanocrystals Fabricated on Jute Tartaric Acid Composite Surface

Sankar Barman and Sushobhan Ghosh

Cryst. Res. Technol., 2024, 59
DOI: 10.1002/crat.202400114

Pt-Assisted Carbon Remediation of Mo2C Materials for CO Disproportionation

Zongtang Fang, Lu-Cun Wang, Yixiao Wang, Ember Sikorski, Shuai Tan, Katie Dongmei Li-Oakey, Lan Li, Gregory Yablonsky, David A. Dixon and Rebecca Fushimi

ACS Catal., 2020, 10, 1894
DOI: 10.1021/acscatal.9b05225

Understanding Catalyst Surfaces during Catalysis through Near Ambient Pressure X-ray Photoelectron Spectroscopy

Luan Nguyen, Franklin Feng Tao, Yu Tang, Jian Dou and Xiao-Jun Bao

Chem. Rev., 2019, 119, 6822
DOI: 10.1021/acs.chemrev.8b00114

Unveiling the role of adsorbed hydrogen in tuning the catalytic activity of CO2 conversion to methanol at Cu/TiC surfaces

Yanli Li, Dengning Chen, Zhongpu Fang, Hegen Zhou, Jia Zhu, Yi Li, Shuping Huang, Wei Lin and Yongfan Zhang

Journal of CO2 Utilization, 2023, 72, 102515
DOI: 10.1016/j.jcou.2023.102515

Supported Molybdenum Carbide Nanoparticles as an Excellent Catalyst for CO2 Hydrogenation

Marc Figueras, Ramón A. Gutiérrez, Francesc Viñes, Pedro J. Ramírez, José A. Rodriguez and Francesc Illas

ACS Catal., 2021, 11, 9679
DOI: 10.1021/acscatal.1c01738

Exploring the Effects of the Interaction of Carbon and MoS2 Catalyst on CO2 Hydrogenation to Methanol

Pingping Cui, Ruyu Sun, Linfei Xiao and Wei Wu

IJMS, 2022, 23, 5220
DOI: 10.3390/ijms23095220

A new perspective on hydrogenation of CO2 into methanol over heterogeneous catalysts

Xueyuan Pan, Jingcheng Xu, Yali Wang, Mingzhe Ma, Haiquan Liao, Hao Sun, Mengmeng Fan, Kui Wang, Kang Sun and Jianchun Jiang

Progress in Natural Science: Materials International, 2024, 34, 482
DOI: 10.1016/j.pnsc.2024.03.002

Effect of Cu-doping on the structure and performance of molybdenum carbide catalyst for low-temperature hydrogenation of dimethyl oxalate to ethanol

Yanting Liu, Jian Ding, Jicheng Bi, Yanping Sun, Juan Zhang, Kefeng Liu, Fanhua Kong, Haicheng Xiao and Jiangang Chen

Applied Catalysis A: General, 2017, 529, 143
DOI: 10.1016/j.apcata.2016.11.009

Review on Using Molybdenum Carbides for the Thermal Catalysis of CO2 Hydrogenation to Produce High-Value-Added Chemicals and Fuels

Yongqing Xu, Yuyao Yang, Mengna Wu, Xiaoxiao Yang, Xuan Bie, Shiyu Zhang, Qinghai Li, Yanguo Zhang, Chenwei Zhang, Robert E. Przekop, Bogna Sztorch, Dariusz Brzakalski and Hui Zhou

Acta Physico-Chimica Sinica, 2024, 40, 2304003
DOI: 10.3866/PKU.WHXB202304003

Engineering metal-support interaction to construct catalytic interfaces and redisperse metal nanoparticles

Haiyan Wang, Zirui Gao, Bowen Sun, Siyun Mu, Feixiong Dang, Xinwen Guo, Ding Ma and Chuan Shi

Chem Catalysis, 2023, 3, 100768
DOI: 10.1016/j.checat.2023.100768

A computational map of the probe CO molecule adsorption and dissociation on transition metal low Miller indices surfaces

David Vázquez-Parga, Anabel Jurado, Alberto Roldan and Francesc Viñes

Applied Surface Science, 2026, 728, 166105
DOI: 10.1016/j.apsusc.2026.166105

MoCS@NSC with interfacial heterojunction nanostructure: A highly selective catalyst for synthesizing methanol from CO2 at low temperature

Han Han, Pingping Cui, Linfei Xiao and Wei Wu

Journal of Environmental Chemical Engineering, 2021, 9, 106354
DOI: 10.1016/j.jece.2021.106354

Activation of Carbon Dioxide by CoCDn– (n = 0–4) Anions

Yun-Zhu Liu, Jiao-Jiao Chen, Xiao-Na Li and Sheng-Gui He

J. Phys. Chem. A, 2021, 125, 3710
DOI: 10.1021/acs.jpca.1c02229

Preparation and characterization of bulk MoXC catalysts and their use in the reverse water-gas shift reaction

Xianyun Liu, Arturo Pajares, DJ Donn Calinao Matienzo, Pilar Ramírez de la Piscina and Narcís Homs

Catalysis Today, 2020, 356, 384
DOI: 10.1016/j.cattod.2019.11.011

CO2 Hydrogenation with High Selectivity by Single Bi Atoms on MXenes Enabled by a Concerted Mechanism

Kaifeng Niu, Lin Chen, Johanna Rosen and Jonas Björk

ACS Catal., 2024, 14, 1824
DOI: 10.1021/acscatal.3c04480

Theoretical Study of Electrocatalytic CO2 Reduction Mechanism on Typical MXenes under Realistic Conditions

Xueli Liu, Lanlan Yao, Sijia Zhang, Chuanqi Huang and Wenshao Yang

Inorg. Chem., 2024, 63, 6305
DOI: 10.1021/acs.inorgchem.4c00072

Termination-tuned Mo2CTx MXenes with single and dual Cu atom dopants for selective CO2-to-C1/C2 conversion

Caihong Liang, Zhonghan Zhang, Haoyu Jiang, Zheng Liu, Liang Wang and Yeng Ming Lam

Chemical Engineering Journal, 2025, 526, 170974
DOI: 10.1016/j.cej.2025.170974

Single‐Atom Molybdenum‐N3 Sites for Selective Hydrogenation of CO2 to CO

Yiqiang Jiang, Yunjin Sung, Changhyeok Choi, Gi Joo Bang, Song Hong, Xinyi Tan, Tai‐Sing Wu, Yun‐Liang Soo, Pei Xiong, Molly Meng‐Jung LI, Leiduan Hao, Yousung Jung and Zhenyu Sun

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202203836

Thermodynamic and Kinetic Study of Carbon Dioxide Hydrogenation on the Metal-Terminated Tantalum-Carbide (111) Surface: A DFT Calculation

Saeedeh Sarabadani Tafreshi, S. Fatemeh. K. S. Panahi, Narges Taghizade, Maryam Jamaati, Mahkameh Ranjbar and Nora H. de Leeuw

Catalysts, 2022, 12, 1275
DOI: 10.3390/catal12101275

A density functional theory study of CO2 hydrogenation on carbon-terminated TaC (111) surface

Saeedeh Sarabadani Tafreshi, Narges Taghizade, Mahmoodreza Sharifian, S. F. K. S. Panahi, Mostafa Torkashvand and Nora H. de Leeuw

Reac Kinet Mech Cat, 2023, 136, 1945
DOI: 10.1007/s11144-023-02458-0

Single‐Atom Molybdenum‐N3 Sites for Selective Hydrogenation of CO2 to CO

Yiqiang Jiang, Yunjin Sung, Changhyeok Choi, Gi Joo Bang, Song Hong, Xinyi Tan, Tai‐Sing Wu, Yun‐Liang Soo, Pei Xiong, Molly Meng‐Jung LI, Leiduan Hao, Yousung Jung and Zhenyu Sun

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202203836

Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2

Vivianne K. Ocampo-Restrepo, Larissa Zibordi-Besse and Juarez L. F. Da Silva

The Journal of Chemical Physics, 2019, 151
DOI: 10.1063/1.5125769

A theoretical and experimental study on CO 2 reduction selectivity of Mo 2CT x MXene catalysts: Influence of surface termination

Caihong Liang, Zhonghan Zhang, Teddy Salim, Zhihao Yen, Daniel Yongyi Goh, Lydia Helena Wong, Zheng Liu, Liang Wang and Yeng Ming Lam

Nano Research, 2026, 19, 94907992
DOI: 10.26599/NR.2025.94907992

Effect of preparation conditions of molybdenum carbide catalysts on low-temperature CO2 hydrogenation to methanol

Denis Makhmutov, Anna Zanina, Evgenii V. Kondratenko, Sebastian Wohlrab and Udo Armbruster

Catalysis Today, 2024, 441, 114901
DOI: 10.1016/j.cattod.2024.114901

Effect of the Carbon Support and Conditions on the Carbothermal Synthesis of Cu-Molybdenum Carbide and Its Application on CO2 Hydrogenation to Methanol

Ana Belén Dongil, Elodie Blanco, Juan José Villora-Picó, Antonio Sepúlveda-Escribano and Inmaculada Rodríguez-Ramos

Nanomaterials, 2022, 12, 1048
DOI: 10.3390/nano12071048

Preparation of nano Cu-Mo2C interface supported on ordered mesoporous biochar of ultrahigh surface area for reverse water gas shift reaction

Xueyuan Pan, Hao Sun, Mingzhe Ma, Haiquan Liao, Guowu Zhan, Kui Wang, Mengmeng Fan, Jingcheng Xu, Linfei Ding, Kang Sun and Jianchun Jiang

Biochar, 2024, 6
DOI: 10.1007/s42773-024-00392-5

An Exceptionally Mild and Scalable Solution-Phase Synthesis of Molybdenum Carbide Nanoparticles for Thermocatalytic CO2 Hydrogenation

Frederick G. Baddour, Emily J. Roberts, Anh T. To, Lu Wang, Susan E. Habas, Daniel A. Ruddy, Nicholas M. Bedford, Joshua Wright, Connor P. Nash, Joshua A. Schaidle, Richard L. Brutchey and Noah Malmstadt

J. Am. Chem. Soc., 2020, 142, 1010
DOI: 10.1021/jacs.9b11238

Theoretical and experimental study of ethanol adsorption and dissociation on β-Mo2C surfaces

Nilda Chasvin, Alejandra Diez, Estela Pronsato, Romana Šedivá, Viktor Johánek, María Alicia Volpe and Carolina Pistonesi

Molecular Catalysis, 2017, 439, 163
DOI: 10.1016/j.mcat.2017.07.003

Single‐Atom Catalysts‐Enabled Reductive Upgrading of CO2

Xiang Tan, Hu Li and Song Yang

ChemCatChem, 2021, 13, 4859
DOI: 10.1002/cctc.202100966

Tuning Adsorption Energies and Reaction Pathways by Alloying: PdZn versus Pd for CO2 Hydrogenation to Methanol

Florian Brix, Valentin Desbuis, Laurent Piccolo and Émilie Gaudry

J. Phys. Chem. Lett., 2020, 11, 7672
DOI: 10.1021/acs.jpclett.0c02011

Synthesis of MXene-based single-atom catalysts for energy conversion applications

Muhammad Aizaz Ud Din, Syed Shoaib Ahmad Shah, Muhammad Sufyan Javed, Manzar Sohail, Aziz ur Rehman, Muhammad Altaf Nazir, Mohammed A. Assiri, Tayyaba Najam and Nanpu Cheng

Chemical Engineering Journal, 2023, 474, 145700
DOI: 10.1016/j.cej.2023.145700

Understanding the Origin of Structure Sensitivity in Nano Crystalline Mixed Cu/Mg−Al Oxides Catalyst for Low‐Pressure Methanol Synthesis

Sachin Kumar Sharma, Bappi Paul, Piyali Bhanja, Mukesh Kumar Poddar, Chanchal Samanta, Tuhin Suvra Khan, M. Ali Haider and Rajaram Bal

ChemCatChem, 2021, 13, 3290
DOI: 10.1002/cctc.202100488

Potassium‐Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO2 Conversion to CO

Marc D. Porosoff, Jeffrey W. Baldwin, Xi Peng, Giannis Mpourmpakis and Heather D. Willauer

ChemSusChem, 2017, 10, 2408
DOI: 10.1002/cssc.201700412

Theoretical Insight into the Special Synergy of Bimetallic Site in Co/MoC Catalyst to Promote N2‐to‐NH3 Conversion

Zhongpu Fang, Yingsi Liang, Yanli Li, Bilian Ni, Jia Zhu, Yi Li, Shuping Huang, Wei Lin and Yongfan Zhang

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202302900

High selective synthesis of methanol from CO2 over Mo2C@NSC

Han Han, Wenhao Geng, Linfei Xiao and Wei Wu

Journal of the Taiwan Institute of Chemical Engineers, 2019, 95, 112
DOI: 10.1016/j.jtice.2018.10.005

Facet effect of In2O3 for methanol synthesis by CO2 hydrogenation: A mechanistic and kinetic study

Wenyi Wang, Yifei Chen and Minhua Zhang

Surfaces and Interfaces, 2021, 25, 101244
DOI: 10.1016/j.surfin.2021.101244

Catalytic Hydrogenation of CO2 to Methanol: A Review

Menghao Ren, Yanmin Zhang, Xuan Wang and Hengshan Qiu

Catalysts, 2022, 12, 403
DOI: 10.3390/catal12040403

Synergizing Mon Clusters and Mo2C Nanoparticles on Oxidized Carbon Nanotubes Boosting the CO2 Reduction Activity

Shuo Cao, Zun Guan, Ying Ma, Bing Xu, Jun Ma, Wei Chu, Riguang Zhang, Giuliano Giambastiani and Yuefeng Liu

ACS Catal., 2024, 14, 10939
DOI: 10.1021/acscatal.4c02069

Nanoparticle Size Effects on Phase Stability for Molybdenum and Tungsten Carbides

Anukriti Shrestha, Xutao Gao, Jason C. Hicks and Christopher Paolucci

Chem. Mater., 2021, 33, 4606
DOI: 10.1021/acs.chemmater.1c01120

Catalytic Reduction of Carbon Dioxide on the (001), (011), and (111) Surfaces of TiC and ZrC: A Computational Study

Fabrizio Silveri, Matthew G. Quesne, Francesc Viñes, Francesc Illas, C. Richard A. Catlow and Nora H. de Leeuw

J. Phys. Chem. C, 2022, 126, 5138
DOI: 10.1021/acs.jpcc.1c10180

Molecular Mechanism and Microkinetic Analysis of the Reverse Water Gas Shift Reaction Heterogeneously Catalyzed by the Mo2C MXene

Anabel Jurado, Ángel Morales-García, Francesc Viñes and Francesc Illas

ACS Catal., 2022, 12, 15658
DOI: 10.1021/acscatal.2c04489

High selective methanol synthesis from CO2 hydrogenation over Mo-Co-C-N catalyst

Yuhua Zhang, Yumei He, Mingyang Cao, Bing Liu and Jinlin Li

Fuel, 2022, 325, 124854
DOI: 10.1016/j.fuel.2022.124854

Mo2C as Pre-Catalyst for the C-H Allylic Oxygenation of Alkenes and Terpenoids in the Presence of H2O2

Michael G. Kallitsakis, Dimitra K. Gioftsidou, Marina A. Tzani, Panagiotis A. Angaridis, Michael A. Terzidis and Ioannis N. Lykakis

Organics, 2022, 3, 173
DOI: 10.3390/org3030014

Effect of Cu and Cs in the β-Mo2C System for CO2 Hydrogenation to Methanol

Ana Belén Dongil, Qi Zhang, Laura Pastor-Pérez, Tomás Ramírez-Reina, Antonio Guerrero-Ruiz and Inmaculada Rodríguez-Ramos

Catalysts, 2020, 10, 1213
DOI: 10.3390/catal10101213

Dispersion of Rh–WxC nanocomposites on carbon nanotubes by one-pot carburization for synthesis of higher alcohols from syngas

Guoqing Liu, Huihuang Fang, Gang Wang, Nan Liu, Jia Liu, Lele Huang, Xuelian Liang and Youzhu Yuan

Fuel, 2021, 305, 121533
DOI: 10.1016/j.fuel.2021.121533

Photothermal catalytic CO2 hydrogenation over molybdenum carbides: Crystal structure and photothermocatalytic synergistic effects

Jie Zhao, Yujie Bai, Xinxin Liang, Ting Wang and Chuanyi Wang

Journal of CO2 Utilization, 2021, 49, 101562
DOI: 10.1016/j.jcou.2021.101562

N,P,S-codoped C@nano-Mo2C as an efficient catalyst for high selective synthesis of methanol from CO2 hydrogenation

Wenhao Geng, Han Han, Fei Liu, Xiaoran Liu, Linfei Xiao and Wei Wu

Journal of CO2 Utilization, 2017, 21, 64
DOI: 10.1016/j.jcou.2017.06.016

Fundamental Interactions of Bimetallic CuxPdy (x + y = 4) Clusters Supported on the α-WC(0001) Surface and Their Performance for CO2 Adsorption and Dissociation

Carlos Jimenez-Orozco, Elizabeth Flórez and José A. Rodriguez

J. Phys. Chem. C, 2025, 129, 12362
DOI: 10.1021/acs.jpcc.5c03687

Adsorption and dissociation of molecular hydrogen on orthorhombic β-Mo2C and cubic δ-MoC (001) surfaces

Sergio Posada-Pérez, Francesc Viñes, Rosendo Valero, José A. Rodriguez and Francesc Illas

Surface Science, 2017, 656, 24
DOI: 10.1016/j.susc.2016.10.001

A review on photo-thermal catalytic conversion of carbon dioxide

Ee Teng Kho, Tze Hao Tan, Emma Lovell, Roong Jien Wong, Jason Scott and Rose Amal

Green Energy & Environment, 2017, 2, 204
DOI: 10.1016/j.gee.2017.06.003

High Selective Methanol Synthesis from Co2 Hydrogenation Over Mo-Co-C-N Catalyst

Bing Liu, Yuhua Zhang, Yumei He, Mingyang Cao and Jinlin Li

SSRN Journal, 2022
DOI: 10.2139/ssrn.4090262

New Set of Multicomponent Crystals as Efficient Heterogeneous Catalysts for the Synthesis of Cyclic Carbonates

Arunangshu Kundu, Swagata Saikia, Manoj Majumder, Oindrila Sengupta, Biswajit Bhattacharya, Gobinda Chandra De and Sushobhan Ghosh

ACS Omega, 2019, 4, 5221
DOI: 10.1021/acsomega.9b00101

Edge Segregated Polymorphism in 2D Molybdenum Carbide

Xiaoxu Zhao, Weiwei Sun, Dechao Geng, Wei Fu, Jiadong Dan, Yu Xie, Paul R. C. Kent, Wu Zhou, Stephen J. Pennycook and Kian Ping Loh

Advanced Materials, 2019, 31
DOI: 10.1002/adma.201808343

Direct synthesis of liquid hydrocarbons from CO2 over CuZnAl/Zn-HZSM-5 combined catalyst in a single reactor

Zareta M. Matieva, Natalia V. Kolesnichenko, Yulia M. Snatenkova, Alexander A. Panin and Anton L. Maximov

Journal of the Taiwan Institute of Chemical Engineers, 2023, 147, 104929
DOI: 10.1016/j.jtice.2023.104929

Carbon Dioxide Conversion on Supported Metal Nanoparticles: A Brief Review

Sergio Posada-Pérez, Miquel Solà and Albert Poater

Catalysts, 2023, 13, 305
DOI: 10.3390/catal13020305

Concepts, models, and methods in computational heterogeneous catalysis illustrated throughCO2conversion

Ángel Morales‐García, Francesc Viñes, José R. B. Gomes and Francesc Illas

WIREs Comput Mol Sci, 2021, 11
DOI: 10.1002/wcms.1530

Mechanistic Insights into Selective CO2 Conversion via RWGS on Transition Metal Phosphides: A DFT Study

Utsab Guharoy, Tomas Ramirez Reina, Sai Gu and Qiong Cai

J. Phys. Chem. C, 2019, 123, 22918
DOI: 10.1021/acs.jpcc.9b04122

The limits of ground-state water splitting on ZnO surfaces: A density functional theory study

Raul Morales-Salvador, Stefan T. Bromley and Francesc Viñes

Catalysis Today, 2024, 441, 114850
DOI: 10.1016/j.cattod.2024.114850

Unveiling the Origin of Alkali Metal (Na, K, Rb, and Cs) Promotion in CO2 Dissociation over Mo2C Catalysts

Renmin Liu, Congmei Chen, Wei Chu and Wenjing Sun

Materials, 2022, 15, 3775
DOI: 10.3390/ma15113775

Catalytic thermal conversion of CO2 into fuels: Perspective and challenges

Ahmad Galadima and Oki Muraza

Renewable and Sustainable Energy Reviews, 2019, 115, 109333
DOI: 10.1016/j.rser.2019.109333