Patrick Urbankowski, Babak Anasori, Taron Makaryan, Dequan Er, Sankalp Kota, Patrick L. Walsh, Mengqiang Zhao, Vivek B. Shenoy, Michel W. Barsoum and Yury Gogotsi

Nanoscale, 2016, 8, 11385
DOI: 10.1039/C6NR02253G

Two-dimensional semiconducting Lu2CT2(T = F, OH) MXene with low work function and high carrier mobility

Xiaojing Bai, Xian-Hu Zha, Yingjie Qiao, Nianxiang Qiu, Yiming Zhang, Kan Luo, Jian He, Qiuwu Li, Qing Huang, Joseph S. Francisco, Cheng-Te Lin and Shiyu Du

Nanoscale, 2020, 12, 3795
DOI: 10.1039/C9NR10806H

Phosphomolybdic acid supported single-metal-atom catalysis in CO oxidation: first-principles calculations

Ming-an Yu, Yingxin Feng, Liye Gao and Sen Lin

Phys. Chem. Chem. Phys., 2018, 20, 20661
DOI: 10.1039/C8CP03916J

Dehydrogenation of formic acid catalysed by M-embedded nitrogen-doped graphene (M = Fe, Ru, Os): a DFT study

Thayalaraj Christopher Jeyakumar and Chinnappan Sivasankar

New J. Chem., 2019, 43, 1440
DOI: 10.1039/C8NJ04738C

A low cost bimetallic AuCu3tetramer on Ti2CO2MXene as an efficient catalyst for CO oxidation: a theoretical prediction

Aswathi Mohan T. and Prasenjit Ghosh

Phys. Chem. Chem. Phys., 2022, 24, 19512
DOI: 10.1039/D2CP02787A

Interface Schottky barrier in Hf2NT2/MSSe (T = F, O, OH; M = Mo, W) heterostructures

Tao Jing, Dongmei Liang, Jinxin Hao, Mingsen Deng and Shaohong Cai

Phys. Chem. Chem. Phys., 2019, 21, 5394
DOI: 10.1039/C9CP00028C

Mo single atoms in the Cu(111) surface as improved catalytic active centers for deoxygenation reactions

Biel Martínez, Francesc Viñes, Peter H. McBreen and Francesc Illas

Catal. Sci. Technol., 2021, 11, 4969
DOI: 10.1039/D1CY00736J

CO2electroreduction performance of a single transition metal atom supported on porphyrin-like graphene: a computational study

Zhongxu Wang, Jingxiang Zhao and Qinghai Cai

Phys. Chem. Chem. Phys., 2017, 19, 23113
DOI: 10.1039/C7CP04299J

One-pot synthesis of porous Au-nanoparticles@polymer/reduced graphene oxide composite microspheres by γ-ray radiation and their application as a recyclable high-performance catalyst

Hanqin Weng, Fan Liao, Mozhen Wang, Mingzhang Lin and Xuewu Ge

RSC Adv., 2016, 6, 59684
DOI: 10.1039/C6RA11205F

Synergetic effects of strain engineering and substrate defects on generating highly efficient single-atom catalysts for CO oxidation

Ke Zhao, Yandi Zhu, Jinlei Shi, Xingju Zhao, Rui Pang, Xinlian Xue, Xiaoyan Ren, Xiangmei Duan, Z. X. Guo and Shunfang Li

J. Mater. Chem. A, 2019, 7, 9297
DOI: 10.1039/C9TA01326A

Understanding the structure–activity relationships of different double atom catalysts from density functional calculations: three general rules for efficient CO oxidation

Qianyu Li, Junhui Zhou, Didi Li and Zhimin Ao

J. Mater. Chem. A, 2022, 10, 9025
DOI: 10.1039/D2TA00709F

Proposing the prospects of Ti3CN transition metal carbides (MXenes) as anodes of Li-ion batteries: a DFT study

Xingzhu Chen, Zhouzhou Kong, Neng Li, Xiujian Zhao and Chenghua Sun

Phys. Chem. Chem. Phys., 2016, 18, 32937
DOI: 10.1039/C6CP06018H

Screening of effective NRR electrocatalysts among the Si-based MSi2N4 (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W) monolayers

Yao Luo, Mengyuan Li, Yuxin Dai, Xiaoli Zhang, Renqiang Zhao, Fan Jiang, Chongyi Ling and Yucheng Huang

J. Mater. Chem. A, 2021, 9, 15217
DOI: 10.1039/D1TA02998C

Single atom catalysts on the Cr2NO2 MXene for CO oxidation

María Guadalupe Moreno-Armenta, Rodrigo Ponce-Perez, Francesc Viñes and Lourdes Mestres

Phys. Chem. Chem. Phys., 2025, 27, 18179
DOI: 10.1039/D5CP01903F

New horizons of MBenes: highly active catalysts for the CO oxidation reaction

Bikun Zhang, Jian Zhou and Zhimei Sun

Nanoscale, 2023, 15, 483
DOI: 10.1039/D2NR05705K

Engineering strategies and active site identification of MXene-based catalysts for electrochemical conversion reactions

Yufei Zhao, Jinqiang Zhang, Xin Guo, Xianjun Cao, Shijian Wang, Hao Liu and Guoxiu Wang

Chem. Soc. Rev., 2023, 52, 3215
DOI: 10.1039/D2CS00698G

Two-dimensional transition metal carbide and nitride (MXene) derived quantum dots (QDs): synthesis, properties, applications and prospects

Binbin Shao, Zhifeng Liu, Guangming Zeng, Han Wang, Qinghua Liang, Qingyun He, Min Cheng, Chengyun Zhou, Longbo Jiang and Biao Song

J. Mater. Chem. A, 2020, 8, 7508
DOI: 10.1039/D0TA01552K

Single atom-supported MXene: how single-atomic-site catalysts tune the high activity and selectivity of electrochemical nitrogen fixation

Bin Huang, Neng Li, Wee-Jun Ong and Naigen Zhou

J. Mater. Chem. A, 2019, 7, 27620
DOI: 10.1039/C9TA09776G

Promising prospects for 2D d2–d4M3C2transition metal carbides (MXenes) in N2capture and conversion into ammonia

Luis Miguel Azofra, Neng Li, Douglas R. MacFarlane and Chenghua Sun

Energy Environ. Sci., 2016, 9, 2545
DOI: 10.1039/C6EE01800A

Bipolar magnetic semiconductors among intermediate states during the conversion from Sc2C(OH)2to Sc2CO2MXene

Xian-Hu Zha, Ji-Chang Ren, Li Feng, Xiaojing Bai, Kan Luo, Yaqing Zhang, Jian He, Qing Huang, Joseph S. Francisco and Shiyu Du

Nanoscale, 2018, 10, 8763
DOI: 10.1039/C8NR01292J

Rational design of M–N4–Gr/V2C heterostructures as highly active ORR catalysts: a density functional theory study

Yunjian Chen, Qi Jiang, Xue Bai, Pengyue Shan, Tong Liu, Yazhou Wang, Hong Cui, Rong Feng, Qin Kang, Zhiyong Liang and Hongkuan Yuan

RSC Adv., 2022, 12, 14368
DOI: 10.1039/D2RA01956F

Single Pd atomic catalyst on Mo2CO2 monolayer (MXene): unusual activity for CO oxidation by trimolecular Eley–Rideal mechanism

Cheng Cheng, Xilin Zhang, Mingyang Wang, Shiyan Wang and Zongxian Yang

Phys. Chem. Chem. Phys., 2018, 20, 3504
DOI: 10.1039/C7CP07161B

A new etching environment (FeF3/HCl) for the synthesis of two-dimensional titanium carbide MXenes: a route towards selective reactivity vs. water

X. Wang, C. Garnero, G. Rochard, D. Magne, S. Morisset, S. Hurand, P. Chartier, J. Rousseau, T. Cabioc'h, C. Coutanceau, V. Mauchamp and S. Célérier

J. Mater. Chem. A, 2017, 5, 22012
DOI: 10.1039/C7TA01082F

Applications of MAX phases and MXenes as catalysts

Iuliana M. Chirica, Anca G. Mirea, Ştefan Neaţu, Mihaela Florea, Michel W. Barsoum and Florentina Neaţu

J. Mater. Chem. A, 2021, 9, 19589
DOI: 10.1039/D1TA04097A

An effective modulation of bulk perovskite by V2CTx nanosheets for efficient planar perovskite solar cells

Chen Tian, Yajie Yan, Shanglei Feng, Jiaou Wang, Yingchun Niu, Xiaoxi Li, Huanxin Ju, Quan Xu, Yang Huang, Hua Dong, Ziqi Liang, Bitao Dong, Lina Li and Yingguo Yang

J. Mater. Chem. A, 2023, 11, 5015
DOI: 10.1039/D2TA05836G

Single-atom niobium doped BCN nanotubes for highly sensitive electrochemical detection of nitrobenzene

Meng Li, Xianyun Peng, Xijun Liu, Huaisheng Wang, Shusheng Zhang and Guangzhi Hu

RSC Adv., 2021, 11, 28988
DOI: 10.1039/D1RA05517H

Synergetic catalysis of p–d hybridized single-atom catalysts: first-principles investigations

Meng Deng, Mengjiao Xia, Yueyang Wang, Xiaoyan Ren and Shunfang Li

J. Mater. Chem. A, 2022, 10, 13066
DOI: 10.1039/D2TA03368B

Metal single-atom coordinated graphitic carbon nitride as an efficient catalyst for CO oxidation

Shiyan Wang, Jiaqi Li, Qiang Li, Xiaowan Bai and Jinlan Wang

Nanoscale, 2020, 12, 364
DOI: 10.1039/C9NR07726J

Quick mass-production of MAX (Ti2AlC) book with pages separated by stacking faults benefiting removal of “A” layer

Chaozhong Wu, Ruifeng Qi, Xiong Zhang, Qiang Liu and Qingsong Huang

Chem. Commun., 2019, 55, 7522
DOI: 10.1039/C9CC04105B

Transition metal single-atoms anchored on Mo2C MXenes for enhanced hydrogen oxidation reaction: a density functional theory study

Lianming Zhao, Yizhu Wang, Tao Ding, Zeyue Peng, Zhumei Jiang, Jinghao Zhang, Xueru Wang, Yuan Li, Guang Zhao, Hao Ren, Wei Xing and Jing Xu

Phys. Chem. Chem. Phys., 2025, 27, 16518
DOI: 10.1039/D5CP02296G

Optoelectronic MXene quantum dots: frontiers in sensor technology for next-generation diagnostics and environmental monitoring

Ankur Singh, Supratim Mahapatra, Rajendra Prasad, Sumit Kumar Singh and Pranjal Chandra

Nanoscale, 2025, 17, 15554
DOI: 10.1039/D5NR00854A

Confinement boosts CO oxidation on an Ni atom embedded inside boron nitride nanotubes

Yadong Zhang, Yuzhen Liu, Zhaoshun Meng, Cai Ning, Chuanyun Xiao, Kaiming Deng, Purusottam Jena and Ruifeng Lu

Phys. Chem. Chem. Phys., 2018, 20, 17599
DOI: 10.1039/C8CP01957F

Ti3C2 MXene as a new nanofiller for robust and conductive elastomer composites

Qunyang Li, Bangchao Zhong, Wenqiang Zhang, Zhixin Jia, Demin Jia, Si Qin, Jing Wang, Joselito M. Razal and Xungai Wang

Nanoscale, 2019, 11, 14712
DOI: 10.1039/C9NR03661J

Deciphering structural evolution of adsorbed ˙OH species on Zr-oxo nodes of UiO-66 to modulate methane hydroxylation

Ling-Chan Tian, Geqian Fang, Yun Zhou, Wenjun Yu, Lin Li, Jin-Nian Hu, Haiyan Wang, Jin-Xia Liang, Chun Zhu, Xiaodong Wang and Jian Lin

J. Mater. Chem. A, 2024, 12, 3565
DOI: 10.1039/D3TA05851D

Two-dimensional carbide/nitride (MXene) materials in thermal catalysis

Yuyao Yang, Yongqing Xu, Qinghai Li, Yanguo Zhang and Hui Zhou

J. Mater. Chem. A, 2022, 10, 19444
DOI: 10.1039/D2TA03481F

A descriptor for the design of 2D MXene hydrogen evolution reaction electrocatalysts

Changxin Wang, Xiaoxu Wang, Tianyao Zhang, Ping Qian, Turab Lookman and Yanjing Su

J. Mater. Chem. A, 2022, 10, 18195
DOI: 10.1039/D2TA02837A

Predicting stable phase monolayer Mo2C (MXene), a superconductor with chemically-tunable critical temperature

Jincheng Lei, Alex Kutana and Boris I. Yakobson

J. Mater. Chem. C, 2017, 5, 3438
DOI: 10.1039/C7TC00789B

A Au monolayer on WC(0001) with unexpected high activity towards CO oxidation

Xilin Zhang, Zongxian Yang and Ruqian Wu

Nanoscale, 2018, 10, 4753
DOI: 10.1039/C7NR09498A

MXenes and ultrasonication

Massoud Malaki, Aziz Maleki and Rajender S. Varma

J. Mater. Chem. A, 2019, 7, 10843
DOI: 10.1039/C9TA01850F

Phosphomolybdic acid supported atomically dispersed transition metal atoms (M = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au): stable single atom catalysts studied by density functional theory

Shujiao Wang, Yingxin Feng, Sen Lin and Hua Guo

RSC Adv., 2017, 7, 24925
DOI: 10.1039/C7RA03490C

Insights into the thermal and chemical stability of multilayered V2CTx MXene

Raj Thakur, Armin VahidMohammadi, Jorge Moncada, William R. Adams, Mingyang Chi, Bruce Tatarchuk, Majid Beidaghi and Carlos A. Carrero

Nanoscale, 2019, 11, 10716
DOI: 10.1039/C9NR03020D

Ti2CO2MXene: a highly active and selective photocatalyst for CO2reduction

Xu Zhang, Zihe Zhang, Jielan Li, Xudong Zhao, Dihua Wu and Zhen Zhou

J. Mater. Chem. A, 2017, 5, 12899
DOI: 10.1039/C7TA03557H

Trends in competing oxygen and chlorine evolution reactions over electrochemically formed single-atom centers of MXenes

Shohreh Faridi, Samad Razzaq, Diwakar Singh, Ling Meng, Francesc Viñes, Francesc Illas and Kai S. Exner

J. Mater. Chem. A, 2025, 13, 16481
DOI: 10.1039/D5TA02220G

Exploring new two-dimensional monolayers: pentagonal transition metal borides/carbides (penta-TMB/Cs)

Yangfan Shao, Mengmeng Shao, Yoshiyuki Kawazoe, Xingqiang Shi and Hui Pan

J. Mater. Chem. A, 2018, 6, 10226
DOI: 10.1039/C8TA00635K

First-principles study of an efficient non-noble metal single-atom catalyst Fe1/TiVCO2 for CO oxidation

Yongkang Zhang, Kaibin Su, Yuhang Wang and Fengping Wang

Catal. Sci. Technol., 2024, 14, 1977
DOI: 10.1039/D3CY00779K

Identification of Efficient Single-Atom Catalysts Based on V2CO2 MXene by ab Initio Simulations

Xinwei Yang, Zhansheng Lu, Cheng Cheng, Yan Wang, Xilin Zhang, Zongxian Yang and Wenchang Lu

J. Phys. Chem. C, 2020, 124, 4090
DOI: 10.1021/acs.jpcc.9b09912

Microwave-assisted rapid MAX phase etching and delamination: A paradigm shift in MXene synthesis

Arshid Numan, Saqib Rafique, Mohammad Khalid, Haizum Aimi Zaharin, Amr Radwan, Nurul Afiqah Mokri, Oh Pei Ching and Rashmi Walvekar

Materials Chemistry and Physics, 2022, 288, 126429
DOI: 10.1016/j.matchemphys.2022.126429

Identification of High‐Performance Single‐Atom MXenes Catalysts for Low‐Temperature CO Oxidation

Cheng Cheng, Xilin Zhang, Zongxian Yang and Kersti Hermansson

Advcd Theory and Sims, 2019, 2
DOI: 10.1002/adts.201900006

Photosensitive Ti3C2 for dyes degradation

Kaikai Lv, Qili Yang, Xin Yan, Lanju Liang, Fengshou Liu, Meng Wang, Haiyun Yao, Dequan Wei, Dianguo Ma and Kang Xie

Results in Materials, 2022, 13, 100247
DOI: 10.1016/j.rinma.2021.100247

Dirac-like band structure and strain-tunable electronic structure of Zr2CCl2 monolayer

Xianghui Duan, Nan Sun, Luqian Fu, Baozeng Zhou and Xiaocha Wang

Applied Surface Science, 2022, 577, 151931
DOI: 10.1016/j.apsusc.2021.151931

Non-noble metal single-atom catalyst with MXene support: Fe1/Ti2CO2 for CO oxidation

Chun Zhu, Jin-Xia Liang, Yang-Gang Wang and Jun Li

Chinese Journal of Catalysis, 2022, 43, 1830
DOI: 10.1016/S1872-2067(21)64027-5

Enhancement of Dielectric Permittivity of Ti3C2Tx MXene/Polymer Composites by Controlling Flake Size and Surface Termination

Shaobo Tu, Qiu Jiang, Junwei Zhang, Xin He, Mohamed Nejib Hedhili, Xixiang Zhang and Husam N. Alshareef

ACS Appl. Mater. Interfaces, 2019, 11, 27358
DOI: 10.1021/acsami.9b09137

Electronic and magnetic properties in nitrogen-doped 2D titanium carbides (MXenes): Insight from first-principles calculations

Susu Liao, Wenjing Qin, Baozhen Sun, Musheng Wu and Bo Xu

Solid State Communications, 2021, 340, 114549
DOI: 10.1016/j.ssc.2021.114549

Single atom transition metals on MoS2 monolayer and their use as catalysts for CO2 activation

Nuria Aguilar, Mert Atilhan and Santiago Aparicio

Applied Surface Science, 2020, 534, 147611
DOI: 10.1016/j.apsusc.2020.147611

2D metal carbides and nitrides (MXenes) for energy storage

Babak Anasori, Maria R. Lukatskaya and Yury Gogotsi

Nat Rev Mater, 2017, 2
DOI: 10.1038/natrevmats.2016.98

Single‐Atom Catalysts for the Hydrogen Evolution Reaction

Haoxuan Liu, Xianyun Peng and Xijun Liu

ChemElectroChem, 2018, 5, 2963
DOI: 10.1002/celc.201800507

Atomically dispersed low-cost transition metals catalyze efficient hydrogen evolution on two-dimensional SnO nanosheets

Zhipeng Sun, Zhirui Gao, Changcheng Zhang, Lixiu Guan and Junguang Tao

International Journal of Hydrogen Energy, 2021, 46, 28602
DOI: 10.1016/j.ijhydene.2021.06.105

Single-Atom Catalysts: A Review of Synthesis Strategies and Their Potential for Biofuel Production

Nurul Asikin-Mijan, Haslinda Mohd Sidek, Abdulkareem G. AlSultan, Nurul Ahtirah Azman, Nur Athirah Adzahar and Hwai Chyuan Ong

Catalysts, 2021, 11, 1470
DOI: 10.3390/catal11121470

The Single Atom Anchoring Strategy: Rational Design of MXene‐Based Single‐Atom Catalysts for Electrocatalysis

Lixiang Wang, Yuhai Dou, Rong Gan, Qin Zhao, Quanlei Ma, Yijing Liao, Guidan Cheng, Yan Zhang and Dingsheng Wang

Small, 2025, 21
DOI: 10.1002/smll.202410772

Role of Defects in Graphene-Passivated Ti3C2 MXene for Energy Conversion and Storage Applications: A First-Principles Study

Muhammad Ali and Saad M. Alqahtani

ACS Appl. Energy Mater., 2023, 6, 7535
DOI: 10.1021/acsaem.3c00950

Increasing the range of non-noble-metal single-atom catalysts

Ting Deng, Weitao Zheng and Wei Zhang

Chinese Journal of Catalysis, 2017, 38, 1489
DOI: 10.1016/S1872-2067(17)62799-2

Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study

Jingxiang Zhao and Zhongfang Chen

J. Am. Chem. Soc., 2017, 139, 12480
DOI: 10.1021/jacs.7b05213

Asymmetrically coordinated single-atom iron nanozymes with Fe-N1C2 structure: A peroxidase mimetic for melatonin detection

Lihong Lin, Heng Li, Hongfei Gu, Zhiyi Sun, Juan Huang, Zhenni Qian, Hang Li, Juzhe Liu, Hongyan Xi, Pengfei Wu, Qingqing Liu, Shuhu Liu, Lirong Zheng, Zhuo Chen, Zhengbo Chen and Juanjuan Qi

Nano Res., 2023, 16, 4751
DOI: 10.1007/s12274-022-5211-8

Recent advances in two-dimensional MXenes for power and smart energy systems

Nikhil Thakur, Pawan Kumar, Dinesh C. Sati, R. Neffati and Pankaj Sharma

Journal of Energy Storage, 2022, 50, 104604
DOI: 10.1016/j.est.2022.104604

Effect of atomic vacancy on the electronic and optical properties, quantum capacitance of Zr2CO2-based electrodes

Xiao-Hong Li, Hao-Yuan Jia, Shan-Shan Li and Hong-Ling Cui

Vacuum, 2021, 190, 110284
DOI: 10.1016/j.vacuum.2021.110284

Single-atom site catalysts for environmental remediation: Recent advances

Tao Cai, Zhenzhen Teng, Yanjun Wen, Huayang Zhang, Shaobin Wang, Xijun Fu, Lu Song, Mi Li, Junwen Lv and Qingyi Zeng

Journal of Hazardous Materials, 2022, 440, 129772
DOI: 10.1016/j.jhazmat.2022.129772

Fabrication of tunable hierarchical MXene@AuNPs nanocomposites constructed by self-reduction reactions with enhanced catalytic performances

Kaikai Li, Tifeng Jiao, Ruirui Xing, Guodong Zou, Jingxin Zhou, Lexin Zhang and Qiuming Peng

Sci. China Mater., 2018, 61, 728
DOI: 10.1007/s40843-017-9196-8

Efficient catalytic oxidation of formaldehyde by defective g–C3N4–anchored single-atom Pt: A DFT study

Zhao Zheng, Cheng Zhang, Junchen Li, Dingli Fang, Peng Tan, Qingyan Fang and Gang Chen

Chemosphere, 2024, 361, 142517
DOI: 10.1016/j.chemosphere.2024.142517

Combining First-Principles Modeling and Symbolic Regression for Designing Efficient Single-Atom Catalysts in the Oxygen Evolution Reaction on Mo2CO2 MXenes

Swetarekha Ram, Gwan Hyun Choi, Albert S. Lee, Seung-Cheol Lee and Satadeep Bhattacharjee

ACS Appl. Mater. Interfaces, 2023, 15, 43702
DOI: 10.1021/acsami.3c08020

MXenes: An emerging 2D material

Duraisami Dhamodharan, Veeman Dhinakaran and Hun-Soo Byun

Carbon, 2022, 192, 366
DOI: 10.1016/j.carbon.2022.03.004

Mixed-terminal MXenes react with SF6 in aqueous solution: reaction mechanism and pathway

Fuping Zeng, Xinnuo Guo, Xiaoyue Chen, Kexin Zhu, Hao Qiu, Shiling Zhang and Ju Tang

J. Phys. D: Appl. Phys., 2024, 57, 015501
DOI: 10.1088/1361-6463/acf9b4

Atomically dispersed Co atoms on MoS 2 monolayer: A promising high-activity catalyst for CO oxidation

Shangguo Liu and Shiping Huang

Applied Surface Science, 2017, 425, 478
DOI: 10.1016/j.apsusc.2017.07.061

Mxene Ti3C2 generated TiO2 nanoparticles in situ and uniformly embedded in rGO sheets as high stable anodes for potassium ion batteries

Shanshan Wu, Yefeng Feng, Kaidan Wu, Wenqin Jiang, Zhifeng Xue, Deping Xiong, Li Chen, Zuyong Feng, Kunhua Wen, Zhaoying Li and Miao He

Journal of Alloys and Compounds, 2023, 930, 167414
DOI: 10.1016/j.jallcom.2022.167414

Recent advances in titanium carbide MXene-based nanotextures with influential effect of synthesis parameters for solar CO2 reduction and H2 production: A critical review

Muhammad Tahir, Azmat Ali Khan, Sehar Tasleem, Rehan Mansoor, Areen Sherryna and Beenish Tahir

Journal of Energy Chemistry, 2023, 76, 295
DOI: 10.1016/j.jechem.2022.09.046

CO2 Photoreduction over Semiconducting 2D Materials with Supported Single Atoms: Recent Progress and Challenges

Zhangben Dai, Kejun Yang, Tianyi Yang, Yalin Guo and Jianfeng Huang

Chemistry A European J, 2024, 30
DOI: 10.1002/chem.202400548

Single-Atom (Iron-Based) Catalysts: Synthesis and Applications

Baljeet Singh, Manoj B. Gawande, Arun D. Kute, Rajender S. Varma, Paolo Fornasiero, Peter McNeice, Rajenahally V. Jagadeesh, Matthias Beller and Radek Zbořil

Chem. Rev., 2021, 121, 13620
DOI: 10.1021/acs.chemrev.1c00158

Fabrication and thermal stability of NH 4 HF 2 -etched Ti 3 C 2 MXene

Aihu Feng, Yun Yu, Feng Jiang, Yong Wang, Le Mi, Yang Yu and Lixin Song

Ceramics International, 2017, 43, 6322
DOI: 10.1016/j.ceramint.2017.02.039

Theoretical investigation of electrochemical CO reduction on carbonitrides

Muhammad Awais and Younes Abghoui

Materials Today Energy, 2025, 53, 101970
DOI: 10.1016/j.mtener.2025.101970

Tuning the Electrical Conductivity of Ti2CO2 MXene by Varying the Layer Thickness and Applying Strains

Yaqing Zhang, Xian-Hu Zha, Kan Luo, Nianxiang Qiu, Yuhong Zhou, Jian He, Zhifang Chai, Zhengren Huang, Qing Huang, Yunxiao Liang and Shiyu Du

J. Phys. Chem. C, 2019, 123, 6802
DOI: 10.1021/acs.jpcc.8b10888

Nanostructured MoO3 for Efficient Energy and Environmental Catalysis

Yuhua Zhu, Yuan Yao, Zhu Luo, Chuanqi Pan, Ji Yang, Yarong Fang, Hongtao Deng, Changxiang Liu, Qi Tan, Fudong Liu and Yanbing Guo

Molecules, 2019, 25, 18
DOI: 10.3390/molecules25010018

Study of pristine and functionalized V2C and Mo2C MXenes as novel electrode material for supercapacitors

Bharti, Yogesh Kumar, Meenal Gupta and Shatendra Sharma

Journal of Molecular Graphics and Modelling, 2023, 118, 108366
DOI: 10.1016/j.jmgm.2022.108366

Recent Advances in Rechargeable Aluminum-Ion Batteries and Considerations for Their Future Progress

Kaiqiang Zhang, Kent O. Kirlikovali, Jun Min Suh, Ji-Won Choi, Ho Won Jang, Rajender S. Varma, Omar K. Farha and Mohammadreza Shokouhimehr

ACS Appl. Energy Mater., 2020, 3, 6019
DOI: 10.1021/acsaem.0c00957

A Review on Production of Ethylene Oxide from Epoxidation of Ethylene: Catalysis, Mechanism and Kinetics

Mahammad Ali Saritala, Mohammed Muzammil, Mohammad R. Quddus, Shaikh Abdur Razzak and Mohammad M. Hossain

Catalysts, 2025, 15, 560
DOI: 10.3390/catal15060560

Rheological Characteristics of 2D Titanium Carbide (MXene) Dispersions: A Guide for Processing MXenes

Bilen Akuzum, Kathleen Maleski, Babak Anasori, Pavel Lelyukh, Nicolas Javier Alvarez, E. Caglan Kumbur and Yury Gogotsi

ACS Nano, 2018, 12, 2685
DOI: 10.1021/acsnano.7b08889

Mitigation of CO poisoning on functionalized palladium monolayer supported on titanium carbide

Ning Liu, Jianjun Mao and Zongxian Yang

Surface and Coatings Technology, 2020, 402, 125925
DOI: 10.1016/j.surfcoat.2020.125925

Engineering Lewis Acid Sites via Oxygen Vacancies in V2CO2 MXene for Electrophilic C–H Activation in Propane Dehydrogenation

Aqsa Abid, XiaoYing Sun, LingLing Shang and Bo Li

Ind. Eng. Chem. Res., 2026, 65, 4775
DOI: 10.1021/acs.iecr.5c04427

Research progress on MXenes-based electrocatalysts with high oxygen activity for air cathodes in metal-air batteries

Qiliang Pan, Lisan Fu, Zhouxiao Wang, Zhengmin Zhong and Jianguo Zhao

Journal of Energy Storage, 2025, 111, 115388
DOI: 10.1016/j.est.2025.115388

Facile CO Oxidation on Oxygen‐functionalized MXenes via the Mars‐van Krevelen Mechanism

Hassan A. Tahini, Xin Tan and Sean C. Smith

ChemCatChem, 2020, 12, 1007
DOI: 10.1002/cctc.201901448

Theoretical Predictions, Experimental Modulation Strategies, and Applications of MXene‐Supported Atomically Dispersed Metal Sites

Hongfei Gu, Xinyuan Li, Jiatao Zhang and Wenxing Chen

Small, 2022, 18
DOI: 10.1002/smll.202105883

Humidity tuning CO oxidation on Ti decorated V2CO2 monolayer (MXene) catalyst: A density functional calculation study

Bihai Cai, Junhui Zhou, Didi Li and Zhimin Ao

Applied Surface Science, 2023, 616, 156497
DOI: 10.1016/j.apsusc.2023.156497

New insights into the single-atom-decorated Zr2CO2 (MXene) as an efficient catalyst for CO oxidation in incomplete combustion gas

Bihai Cai, Junhui Zhou, Didi Li and Zhimin Ao

Applied Surface Science, 2022, 575, 151777
DOI: 10.1016/j.apsusc.2021.151777

Metal-free C2N catalyst with superior H2O/SO2 tolerance for NO reduction with CO during incomplete combustion process

Junhui Zhou, Didi Li, Binghua Jing, Beibei Xiao and Zhimin Ao

Fuel, 2023, 354, 129262
DOI: 10.1016/j.fuel.2023.129262

Current state of the art on tailoring the MXene composition, structure, and surface chemistry

Per.O.Å. Persson and Johanna Rosen

Current Opinion in Solid State and Materials Science, 2019, 23, 100774
DOI: 10.1016/j.cossms.2019.100774

CO oxidation on MXene (Mo2CS2) supported single-atom catalyst: A termolecular Eley-Rideal mechanism

Shamraiz Hussain Talib, Zhansheng Lu, Beenish Bashir, Sajjad Hussain, Khalil Ahmad, Salahuddin Khan, Sajjad Haider, Zongxian Yang, Kersti Hermansson and Jun Li

Chinese Chemical Letters, 2023, 34, 107412
DOI: 10.1016/j.cclet.2022.04.010

The CO oxidation on Mn atom embedded in N vacancy of C3N monolayer: A DFT-D study

Yanxing Zhang, Qingying Yan, Jinglin Liu and Zhansheng Lu

Surface Science, 2023, 734, 122320
DOI: 10.1016/j.susc.2023.122320

MXene-based materials for electrochemical energy storage

Xu Zhang, Zihe Zhang and Zhen Zhou

Journal of Energy Chemistry, 2018, 27, 73
DOI: 10.1016/j.jechem.2017.08.004

DFT investigation on two-dimensional GeS/WS2 van der Waals heterostructure for direct Z-scheme photocatalytic overall water splitting

Lin Ju, Ying Dai, Wei Wei, Mengmeng Li and Baibiao Huang

Applied Surface Science, 2018, 434, 365
DOI: 10.1016/j.apsusc.2017.10.172

Heterostructures of MXenes and CoNx-Graphene as highly active electrocatalysts for hydrogen evolution reaction in alkaline media

Shaoyu Li, Ya Wang, Hua Wang, Qingyun Zhang, Zhengzhong Zhang and Hao Liu

J Appl Electrochem, 2021, 51, 871
DOI: 10.1007/s10800-021-01542-4

Surface Density Dependent Catalytic Activity of Single Palladium Atoms Supported on Ceria**

Yongseon Kim, Greg Collinge, Mal‐Soon Lee, Konstantin Khivantsev, Sung June Cho, Vassiliki‐Alexandra Glezakou, Roger Rousseau, Janos Szanyi and Ja Hun Kwak

Angew Chem Int Ed, 2021, 60, 22769
DOI: 10.1002/anie.202105750

Influence of MXene Particles with a Stacked-Lamellar Structure on Osteogenic Differentiation of Human Mesenchymal Stem Cells

Jun-Hwee Jang and Eun-Jung Lee

Materials, 2021, 14, 4453
DOI: 10.3390/ma14164453

DFT-screened transition-metal single atoms on Janus WSeTe: high-performance bifunctional ORR/OER electrocatalysts via structural asymmetry

Yu Jiang, Tian Tang, Junmei Du, Xin Wang, Chunsheng Guo, Yuxiang Ni, Yuanzheng Chen and Hongyan Wang

Applied Surface Science, 2026, 723, 165680
DOI: 10.1016/j.apsusc.2025.165680

A novel high permittivity percolative composite with modified MXene

Jing Shao, Jing-Wen Wang, Da-Nian Liu, Lei Wei, Sen-Qiang Wu and Hua Ren

Polymer, 2019, 174, 86
DOI: 10.1016/j.polymer.2019.04.057

1 T-MoSe2 monolayer supported single Pd atom as a highly-efficient bifunctional catalyst for ORR/OER

Zengming Qin and Jingxiang Zhao

Journal of Colloid and Interface Science, 2022, 605, 155
DOI: 10.1016/j.jcis.2021.07.087

Effect of metal (Zn and Co) doped/co-doped on Ti3C2O2 MXene to NO gas sensing capability: A DFT study

JiaHui Su, Xin Liu, Hanmei Zhang, Bing Zhao and Tao Shen

Micro and Nanostructures, 2023, 183, 207658
DOI: 10.1016/j.micrna.2023.207658

Epoxidation of ethylene over an Ag atom embedded B-vacancy defective boron-nitride nanosheet via a trimolecular Langmuir–Hinshelwood mechanism: A DFT investigation

Mehdi D. Esrafili, Hossein Janebi and Parisasadat Mousavian

Molecular Catalysis, 2021, 514, 111843
DOI: 10.1016/j.mcat.2021.111843

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

MXenes: New Horizons in Catalysis

Ángel Morales-García, Federico Calle-Vallejo and Francesc Illas

ACS Catal., 2020, 10, 13487
DOI: 10.1021/acscatal.0c03106

Recent developments on fluorescent hybrid nanomaterials for metal ions sensing and bioimaging applications: A review

Vaibhavkumar N. Mehta, Milltal L. Desai, Hirakendu Basu, Rakesh Kumar Singhal and Suresh Kumar Kailasa

Journal of Molecular Liquids, 2021, 333, 115950
DOI: 10.1016/j.molliq.2021.115950

Single noble metals (Pd, Pt and Ir) anchored Janus MoSSe monolayers: Efficient oxygen reduction/evolution reaction bifunctional electrocatalysts and harmful gas detectors

Jia-Xing Guo, Shao-Yi Wu, Gao-Jun Zhang, Li Yan, Jian-Guo Hu and Xiao-Yu Li

Journal of Colloid and Interface Science, 2022, 616, 177
DOI: 10.1016/j.jcis.2022.02.054

Cu3-Cluster-Doped Monolayer Mo2CO2 (MXene) as an Electron Reservoir for Catalyzing a CO Oxidation Reaction

Cheng Cheng, Xilin Zhang, Zongxian Yang and Zhen Zhou

ACS Appl. Mater. Interfaces, 2018, 10, 32903
DOI: 10.1021/acsami.8b12318

Enhanced Thermal Conductivity of Epoxy Composites Filled with 2D Transition Metal Carbides (MXenes) with Ultralow Loading

Ruiyang Kang, Zhenyu Zhang, Liangchao Guo, Junfeng Cui, Yapeng Chen, Xiao Hou, Bo Wang, Cheng-Te Lin, Nan Jiang and Jinhong Yu

Sci Rep, 2019, 9
DOI: 10.1038/s41598-019-45664-4

Influence of N-doped concentration on the electronic properties and quantum capacitance of Hf2CO2 MXene

Ming-Zhu Liu, Xiao-Hong Li, Hai-Tao Yan, Rui-Zhou Zhang and Hong-Ling Cui

Vacuum, 2023, 210, 111826
DOI: 10.1016/j.vacuum.2023.111826

Recent advance in MXenes: A promising 2D material for catalysis, sensor and chemical adsorption

Jing Zhu, Enna Ha, Guoliang Zhao, Yang Zhou, Deshun Huang, Guozong Yue, Liangsheng Hu, Ning Sun, Yong Wang, Lawrence Yoon Suk Lee, Chen Xu, Kwok-Yin Wong, Didier Astruc and Pengxiang Zhao

Coordination Chemistry Reviews, 2017, 352, 306
DOI: 10.1016/j.ccr.2017.09.012

High‐throughput computational screening of layered and two‐dimensional materials

Xu Zhang, An Chen and Zhen Zhou

WIREs Comput Mol Sci, 2019, 9
DOI: 10.1002/wcms.1385

Dynamics of broadband photoinduced species and enabled photodetection in MXenes

Feng Zhang, Rui Cao, Zhongjun Li, Siyan Gao, Hualong Chen, Jia Guo, Yule Zhang, Bashaer Omar Al‐Amoudi, Swelm Wageh, Ahmed A. Al‐Ghamdi, Xi Zhang and Han Zhang

Nanophotonics, 2022, 11, 3139
DOI: 10.1515/nanoph-2022-0170

2D MXenes: A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

Guoping Gao, Anthony P. O’Mullane and Aijun Du

ACS Catal., 2017, 7, 494
DOI: 10.1021/acscatal.6b02754

MXene Ti3C2: An Effective 2D Light-to-Heat Conversion Material

Renyuan Li, Lianbin Zhang, Le Shi and Peng Wang

ACS Nano, 2017, 11, 3752
DOI: 10.1021/acsnano.6b08415

Theoretical studies of MXene-supported single-atom catalysts: Os1/Ti2CS2 for low-temperature CO oxidation

Yang Meng, Jin-Xia Liang, Chun Zhu, Cong-Qiao Xu and Jun Li

Sci. China Mater., 2022, 65, 1303
DOI: 10.1007/s40843-021-1950-0

Modulating electronic, magnetic and mechanical properties of MVN (M = Ti, V, Cr) MXenes by surface functionalization

Siyu Li, Ao Cui, Baozhen Sun, Gang Liu and Bo Xu

Solid State Communications, 2021, 336, 114411
DOI: 10.1016/j.ssc.2021.114411

Termination Effects of Pt/v-Tin+1CnT2 MXene Surfaces for Oxygen Reduction Reaction Catalysis

Chi-You Liu and Elise Y. Li

ACS Appl. Mater. Interfaces, 2019, 11, 1638
DOI: 10.1021/acsami.8b17600

MXene Materials for the Electrochemical Nitrogen Reduction—Functionalized or Not?

Luke R. Johnson, Sudiksha Sridhar, Liang Zhang, Kurt D. Fredrickson, Abhinav S. Raman, Joonbaek Jang, Connor Leach, Ashwin Padmanabhan, Christopher C. Price, Nathan C. Frey, Abhishek Raizada, Vishwanathan Rajaraman, Sai Aparna Saiprasad, Xiaoxin Tang and Aleksandra Vojvodic

ACS Catal., 2020, 10, 253
DOI: 10.1021/acscatal.9b01925

One MAX phase, different MXenes: A guideline to understand the crucial role of etching conditions on Ti3C2Tx surface chemistry

Mohamed Benchakar, Lola Loupias, Cyril Garnero, Thomas Bilyk, Cláudia Morais, Christine Canaff, Nadia Guignard, Sophie Morisset, Hanna Pazniak, Simon Hurand, Patrick Chartier, Jérôme Pacaud, Vincent Mauchamp, Michel W. Barsoum, Aurélien Habrioux and Stéphane Célérier

Applied Surface Science, 2020, 530, 147209
DOI: 10.1016/j.apsusc.2020.147209

The Improvement in Hydrogen Storage Performance of MgH2 Enabled by Multilayer Ti3C2

Zhaojie Wu, Jianhua Fang, Na Liu, Jiang Wu and Linglan Kong

Micromachines, 2021, 12, 1190
DOI: 10.3390/mi12101190

Ultra-Fast Degradation of Thymol Blue Dye Under Microwave Irradiation Technique Using Alpha-orthorhombic Molybdenum Trioxide (α-MoO3) Colloidal Nanoparticles

Aamna Balouch, Muhammad Saqaf Jagirani, Esra Alveroglu, Shankar Lal, Sirajuddin, Ali Muhammad Mahar and Dadu Mal

J Clust Sci, 2023, 34, 2287
DOI: 10.1007/s10876-022-02381-9

Structural, thermal and dielectric properties of 2D layered Ti3C2Tx (MXene) filled poly (ethylene‐co‐methyl acrylate) (EMA) nanocomposites

Rajasmita Malik, Rajanikanta Parida, Bichitra Nanda Parida and Nimai C. Nayak

J of Applied Polymer Sci, 2023, 140
DOI: 10.1002/app.53460

The theoretical study of Rh single atom catalysts decorated C3N monolayer with N vacancy for CO oxidations

Yanxing Zhang and Xinyang Gao

Appl. Phys. A, 2023, 129
DOI: 10.1007/s00339-023-06618-w

MXene Aerogel Derived Ultra-Active Vanadia Catalyst for Selective Conversion of Sustainable Alcohols to Base Chemicals

Niklas Oefner, Christopher E. Shuck, Leon Schumacher, Franziska Heck, Kathrin Hofmann, Jana Schmidpeter, Weiqun Li, Mounib Bahri, B. Layla Mehdi, Alfons Drochner, Barbara Albert, Christian Hess, Yury Gogotsi and Bastian J. M. Etzold

ACS Appl. Mater. Interfaces, 2023, 15, 16714
DOI: 10.1021/acsami.2c22720

Single transition metal atom catalysts on Ti2CN2 for efficient CO2 reduction reaction

Feifei Li, Haoqiang Ai, Changmin Shi, Kin Ho Lo and Hui Pan

International Journal of Hydrogen Energy, 2021, 46, 12886
DOI: 10.1016/j.ijhydene.2021.01.096

MXenes as Superexcellent Support for Confining Single Atom: Properties, Synthesis, and Electrocatalytic Applications

Mingming Zhang, Cui Lai, Bisheng Li, Shiyu Liu, Danlian Huang, Fuhang Xu, Xigui Liu, Lei Qin, Yukui Fu, Ling Li, Huan Yi and Liang Chen

Small, 2021, 17
DOI: 10.1002/smll.202007113

Unveiling the mechanism of CO oxidation catalyzed by sulfur-doped fullerenes with the DFT calculations

Lijun Qu, Haoyu Zhang, Shengwei Huang, Hai Wang and Shihai Yan

Carbon Trends, 2024, 15, 100371
DOI: 10.1016/j.cartre.2024.100371

Insights into the Electrocatalytic Hydrogen Evolution Reaction Mechanism on Two‐Dimensional Transition‐Metal Carbonitrides (MXene)

Bin Huang, Naigen Zhou, Xingzhu Chen, Wee‐Jun Ong and Neng Li

Chemistry A European J, 2018, 24, 18479
DOI: 10.1002/chem.201804686

Thermodynamics and Kinetics of Molecular Hydrogen Adsorption and Dissociation on MXenes: Relevance to Heterogeneously Catalyzed Hydrogenation Reactions

Martí López, Ángel Morales-García, Francesc Viñes and Francesc Illas

ACS Catal., 2021, 11, 12850
DOI: 10.1021/acscatal.1c03150

Sensing response of Pd-modified Ti3C2O2 for dissolved gas molecules in power transformer oil

Ying Chen, Wanxia Zhang, Shimin Zhang, Hengxin He and Xiaoxing Zhang

Materials Today Communications, 2023, 34, 105453
DOI: 10.1016/j.mtcomm.2023.105453

Stability and Catalytic Performance of Single‐Atom Supported on Ti2CO2 for Low‐Temperature CO Oxidation: A First‐Principles Study

Sajjad Ali, Zijuan Xie and Hu Xu

ChemPhysChem, 2021, 22, 2352
DOI: 10.1002/cphc.202100436

A DFT study on the possibility of using a single Cu atom incorporated nitrogen‐doped graphene as a promising and highly active catalyst for oxidation of CO

Mehdi D. Esrafili and Parisasadat Mousavian

Int J of Quantum Chemistry, 2019, 119
DOI: 10.1002/qua.25857

Computational Screening of Single Non-Noble Transition-Metal Atoms Confined Inside Boron Nitride Nanotubes for CO Oxidation

Cai Ning, Yadong Zhang, Zhaoshun Meng, Chuanyun Xiao and Ruifeng Lu

J. Phys. Chem. C, 2020, 124, 2030
DOI: 10.1021/acs.jpcc.9b10585

Modulating geometric, electronic, gas sensing and catalytic properties of single-atom Pd supported on divacancy and N-doped graphene sheets

Yanan Tang, Haiquan Zhang, Weiguang Chen, Zhaohan Li, Zhiyong Liu, Da Teng and Xianqi Dai

Applied Surface Science, 2020, 508, 145245
DOI: 10.1016/j.apsusc.2020.145245

First-principles and machine-learning approaches for interpreting and predicting the properties of MXenes

José D. Gouveia, Tiago L. P. Galvão, Kais Iben Nassar and José R. B. Gomes

npj 2D Mater Appl, 2025, 9
DOI: 10.1038/s41699-025-00529-5

First-principles study on the electronic, magnetic, and Li-ion mobility properties of N-doped Ti2CO2

Susu Liao, Baozhen Sun, Biao Hua, Jing Shi, Bo Xu and Zhangquan Peng

Solid State Ionics, 2022, 383, 115983
DOI: 10.1016/j.ssi.2022.115983

Exploring adsorption behavior and oxidation mechanism of mercury on monolayer Ti2CO2 (MXenes) from first principles

Xiaoping Gao, Yanan Zhou, Yujia Tan, Zhiwen Cheng, Bowen Yang, Yuning Ma, Zhemin Shen and Jinping Jia

Applied Surface Science, 2019, 464, 53
DOI: 10.1016/j.apsusc.2018.09.071

Highly Enhanced Light–Matter Interaction in MXene Quantum Dots–Monolayer WS2 Heterostructure

Guru Prakash Neupane, Bowen Wang, Mike Tebyetekerwa, Hieu T. Nguyen, Mahdiar Taheri, Boqing Liu, Mudassar Nauman and Rabin Basnet

Small, 2021, 17
DOI: 10.1002/smll.202006309

Insight into the catalytic activity of MXenes for hydrogen evolution reaction

Xiaowan Bai, Chongyi Ling, Li Shi, Yixin Ouyang, Qiang Li and Jinlan Wang

Science Bulletin, 2018, 63, 1397
DOI: 10.1016/j.scib.2018.10.006

Catalytic activity of V2CO2 MXene supported transition metal single atoms for oxygen reduction and hydrogen oxidation reactions: A density functional theory calculation study

Zhongjing Deng, Xingqun Zheng, Mingming Deng, Li Li, Li Jing and Zidong Wei

Chinese Journal of Catalysis, 2021, 42, 1659
DOI: 10.1016/S1872-2067(21)63823-8

Hydration of Ti3C2Tx MXene: An Interstratification Process with Major Implications on Physical Properties

Stéphane Célérier, Simon Hurand, Cyril Garnero, Sophie Morisset, Mohamed Benchakar, Aurélien Habrioux, Patrick Chartier, Vincent Mauchamp, Nathaniel Findling, Bruno Lanson and Eric Ferrage

Chem. Mater., 2019, 31, 454
DOI: 10.1021/acs.chemmater.8b03976

Raman spectra of MXenes Zr2X(X=C and N)

Somayeh Saboori, Weiliang Wang, Zhibing Li and Juncong She

Nanotechnology, 2020, 31, 405708
DOI: 10.1088/1361-6528/ab9a74

Hydrogenation of CO2 to formic acid on the single atom catalysis Cu/C2N: A first principles study

Junmei Ma, Hongwei Gong, Tong Zhang, Hong Yu, Rong Zhang, Zhenhua Liu, Guoxin Yang, Hao Sun, Shuwei Tang and Yongqing Qiu

Applied Surface Science, 2019, 488, 1
DOI: 10.1016/j.apsusc.2019.03.187

3d transitional-metal single atom catalysis toward hydrogen evolution reaction on MXenes supports

Zihan Shen, Xiaoli Fan, Shiguo Ma, Yurong An, Danxi Yang, Nijing Guo, Zhifen Luo and Yan Hu

International Journal of Hydrogen Energy, 2020, 45, 14396
DOI: 10.1016/j.ijhydene.2020.03.174

Functionalization Ti3C2 MXene by the adsorption or substitution of single metal atom

Yijing Gao, Yongyong Cao, Yongbing Gu, Han Zhuo, Guilin Zhuang, Shengwei Deng, Xing Zhong, Zhongzhe Wei, Jianhua Chen, Xiang Pan and Jian-guo Wang

Applied Surface Science, 2019, 465, 911
DOI: 10.1016/j.apsusc.2018.09.254

Green energy harvesting from CO2 and NOx by MXene materials: Detailed historical and future prospective

Hafiz Muhammad Adeel Sharif, Muhammad Rashad, Ijaz Hussain, Aumber Abbas, Obaid Fahad Aldosari and Changping Li

Applied Catalysis B: Environment and Energy, 2024, 344, 123585
DOI: 10.1016/j.apcatb.2023.123585

Unraveling the Influence of Oxygen Vacancies on the OER Performance of Co Single-Atom Catalysts Adsorbed on MXenes

Swetarekha Ram, Gwan Hyun Choi, Albert S. Lee, Seung-Cheol Lee and Satadeep Bhattacharjee

J. Phys. Chem. C, 2023, 127, 12576
DOI: 10.1021/acs.jpcc.3c02433

Density functional theory study on the enhanced adsorption mechanism of gaseous pollutants on Al-doped Ti2CO2 monolayer

Zechao Wu, Junhui Zhou, Didi Li, Zhimin Ao, Taicheng An and Guoxiu Wang

Sustainable Materials and Technologies, 2021, 29, e00294
DOI: 10.1016/j.susmat.2021.e00294

Surface Functionalization of Ti3C2Tx MXene Nanosheets with Catechols: Implication for Colloidal Processing

James E. Heckler, Gregory R. Neher, Faisal Mehmood, David B. Lioi, Ruth Pachter, Richard Vaia, W. Joshua Kennedy and Dhriti Nepal

Langmuir, 2021, 37, 5447
DOI: 10.1021/acs.langmuir.0c03078

Stabilities and electronic properties of vacancy-doped Ti2CO2

Changying Wang, Han Han and Yongliang Guo

Computational Materials Science, 2019, 159, 127
DOI: 10.1016/j.commatsci.2018.12.007

A New Mars‐van Krevelen Mechanism for CO Oxidation on a Ti‐Decorated MXene

Xilin Zhang, Qianqian Peng, Lu Chen, Zhansheng Lu, Zongxian Yang and Kersti Hermansson

Adv Materials Inter, 2023, 10
DOI: 10.1002/admi.202300070

Theoretical Study of the Interaction of Sf6 Molecule on Ti3c2tx Surfaces

Fuping Zeng, Xinnuo Guo, Xiaoxuan Feng, Rijian Cai, Qiang Yao, Shiling Zhang and Ju Tang

SSRN Journal, 2022
DOI: 10.2139/ssrn.4066202

Nitrogen coordinated silicon-doped graphene as a potential alternative metal-free catalyst for CO oxidation

Yanan Tang, Weiguang Chen, Zigang Shen, Shanshan Chang, Mingyu Zhao and Xianqi Dai

Carbon, 2017, 111, 448
DOI: 10.1016/j.carbon.2016.10.028

Ti3C2 MXenes nanosheets catalyzed highly efficient electrogenerated chemiluminescence biosensor for the detection of exosomes

Huixin Zhang, Zonghua Wang, Qiuxia Zhang, Feng Wang and Yang Liu

Biosensors and Bioelectronics, 2019, 124-125, 184
DOI: 10.1016/j.bios.2018.10.016

Understanding the Impact of Defects on Catalytic CO Oxidation of LaFeO3-Supported Rh, Pd, and Pt Single-Atom Catalysts

Long Zhang, Ivo A. W. Filot, Ya-Qiong Su, Jin-Xun Liu and Emiel J. M. Hensen

J. Phys. Chem. C, 2019, 123, 7290
DOI: 10.1021/acs.jpcc.9b01520

Ti3C2 MXene-derived Ti3C2/TiO2 nanoflowers for noble-metal-free photocatalytic overall water splitting

Yujie Li, Xiaotong Deng, Jian Tian, Zhangqian Liang and Hongzhi Cui

Applied Materials Today, 2018, 13, 217
DOI: 10.1016/j.apmt.2018.09.004

Activating Inert MXenes for Hydrogen Evolution Reaction via Anchored Metal Centers

Hassan A. Tahini, Xin Tan and Sean C. Smith

Advcd Theory and Sims, 2022, 5
DOI: 10.1002/adts.202100383

Theoretical study of the interaction of SF6 molecule on Ti3C2Tx surfaces

Fuping Zeng, Xinnuo Guo, Xiaoxuan Feng, Rijian Cai, Qiang Yao, Shiling Zhang and Ju Tang

Applied Surface Science, 2022, 597, 153721
DOI: 10.1016/j.apsusc.2022.153721

Efficient metal overlayer catalysts on the Nb2C monolayer for CO oxidation from first-principles screening

Chang Xu, Xilin Zhang and Zongxian Yang

J. Phys.: Condens. Matter, 2020, 32, 175201
DOI: 10.1088/1361-648X/ab69a0

Fabrication of hierarchical MXene-based AuNPs-containing core–shell nanocomposites for high efficient catalysts

Kaikai Li, Tifeng Jiao, Ruirui Xing, Guodong Zou, Qianran Zhao, Jingxin Zhou, Lexin Zhang and Qiuming Peng

Green Energy & Environment, 2018, 3, 147
DOI: 10.1016/j.gee.2017.11.004

Recent advances in single-atom catalysts for CO oxidation

Haotian Zhang, Siyuan Fang and Yun Hang Hu

Catalysis Reviews, 2022, 64, 491
DOI: 10.1080/01614940.2020.1821443

Electophoretically Deposition of Ti3C2 on Titanium Surface for Hard Tissue Implant Applications

Jun-Hwee Jang, Jun-Sung Oh, Eun-Jung Lee and Cheol-Min Han

Coatings, 2021, 11, 761
DOI: 10.3390/coatings11070761

A Glimpse on the plethora of applications of prodigious material MXene

Amtul Nashim and Kulamani Parida

Sustainable Materials and Technologies, 2022, 32, e00439
DOI: 10.1016/j.susmat.2022.e00439

Recent catalytic applications of MXene-based layered nanomaterials

Changlei Xia, Haoran Ye, Aejung Kim, Abbas Sabahi Namini, Suiyi Li, Seyed Ali Delbari, Joo Young Park, Dokyoon Kim, Quyet Van Le, Rajender S. Varma, Rafael Luque, Ali T-Raissi, Ho Won Jang and Mohammadreza Shokouhimehr

Chemosphere, 2023, 325, 138323
DOI: 10.1016/j.chemosphere.2023.138323

Supported single-atom catalysts: synthesis, characterization, properties, and applications

Jing Liu, Benjamin R. Bunes, Ling Zang and Chuanyi Wang

Environ Chem Lett, 2018, 16, 477
DOI: 10.1007/s10311-017-0679-2

MXene‐Based Composites: Synthesis and Applications in Rechargeable Batteries and Supercapacitors

Jian Yang, Weizhai Bao, Pauline Jaumaux, Songtao Zhang, Chengyin Wang and Guoxiu Wang

Adv Materials Inter, 2019, 6
DOI: 10.1002/admi.201802004

Interparticle interactions and rheological signatures of Ti3C2Tz MXene dispersions

Guler Bengusu Tezel, Kailash Arole, Dustin E. Holta, Miladin Radovic and Micah J. Green

Journal of Colloid and Interface Science, 2022, 605, 120
DOI: 10.1016/j.jcis.2021.07.068

DFT study of SF6 adsorption by Pd-doped hydroxyl-terminal modified Ti3C2Tx MXene

Yiming Yan, Fuping Zeng, Long Wang, Xiangyu Wang, Kexin Zhu, Qiang Yao and Ju Tang

J Mol Model, 2023, 29
DOI: 10.1007/s00894-023-05737-8

Surface Density Dependent Catalytic Activity of Single Palladium Atoms Supported on Ceria**

Yongseon Kim, Greg Collinge, Mal‐Soon Lee, Konstantin Khivantsev, Sung June Cho, Vassiliki‐Alexandra Glezakou, Roger Rousseau, Janos Szanyi and Ja Hun Kwak

Angewandte Chemie, 2021, 133, 22951
DOI: 10.1002/ange.202105750

DFT insights into controllable oxidation of functionalized and hierarchical Ti3C2 MXene in marine environment

Liqiu Ma, Jianbo Zhang, Shengguo Zhou, Hao Chen and Zhibin Lu

Applied Surface Science, 2025, 713, 164375
DOI: 10.1016/j.apsusc.2025.164375

A theoretical study of the ability of 2D monolayer Au (111) to activate gas molecules

Long Lin, Longbin Yan, Chaozheng He, Linwei Yao, Kun Xie, Ruixin Chen, Linghao Zhu, Jingtao Huang, Jingwen Sun, Junwu Zhu and Zhanying Zhang

International Journal of Hydrogen Energy, 2021, 46, 11711
DOI: 10.1016/j.ijhydene.2021.01.060

Functional MXene Materials: Progress of Their Applications

Xiuqin Li, Chengyin Wang, Yu Cao and Guoxiu Wang

Chemistry An Asian Journal, 2018, 13, 2742
DOI: 10.1002/asia.201800543

Design single nonmetal atom doped 2D Ti2CO2 electrocatalyst for hydrogen evolution reaction by coupling electronic descriptor

Xiaoxu Wang, Ye Su, Minghui Song, Keke Song, Mingwen Chen and Ping Qian

Applied Surface Science, 2021, 556, 149778
DOI: 10.1016/j.apsusc.2021.149778

Functional group-dependent anchoring effect of titanium carbide-based MXenes for lithium-sulfur batteries: A computational study

Yuming Zhao and Jingxiang Zhao

Applied Surface Science, 2017, 412, 591
DOI: 10.1016/j.apsusc.2017.04.013

Titanium MXenes as Heterogeneous Catalysts for the Styrene‐to‐Benzaldehyde Oxidation: Influence of the Etching Conditions

A. Rapeyko, A. Barjola, M. D. Seva, O. Sahuquillo, S. Navalón, E. Giménez and F. X. Llabrés i Xamena

ChemCatChem, 2024, 16
DOI: 10.1002/cctc.202301599

Recent Progresses in Two‐Dimensional Carbon‐Metal Composites for Catalysis Applications

Yongjie Zhang, Kah‐Meng Yam, Hao Wang, Na Guo and Chun Zhang

WIREs Comput Mol Sci, 2025, 15
DOI: 10.1002/wcms.70014

Alkalized Ti3C2 MXene nanoribbons with expanded interlayer spacing for high-capacity sodium and potassium ion batteries

Peichao Lian, Yanfeng Dong, Zhong-Shuai Wu, Shuanghao Zheng, Xiaohui Wang, Sen Wang, Chenglin Sun, Jieqiong Qin, Xiaoyu Shi and Xinhe Bao

Nano Energy, 2017, 40, 1
DOI: 10.1016/j.nanoen.2017.08.002

A DFT Study of Single‐Atom Catalysis of CO Oxidation Using Carbon‐Embedded Hexagonal Boron Nitride Monolayer

Mehdi D. Esrafili and Farzad Arjomandi Rad

ChemistrySelect, 2018, 3, 7402
DOI: 10.1002/slct.201801317

Nb2S2C Monolayers with Transition Metal Atoms Embedded at the S Vacancy Are Promising Single-Atom Catalysts for CO Oxidation

Manman Li, Tianchun Li and Yu Jing

ACS Omega, 2023, 8, 31051
DOI: 10.1021/acsomega.3c02984

Density functional theory calculations on single atomic catalysis: Ti-decorated Ti3C2O2 monolayer (MXene) for HCHO oxidation

Junhui Zhou, Guanlan Liu, Quanguo Jiang, Weina Zhao, Zhimin Ao and Taicheng An

Chinese Journal of Catalysis, 2020, 41, 1633
DOI: 10.1016/S1872-2067(20)63571-9

Computational Study of Low Interlayer Friction in Tin+1Cn (n = 1, 2, and 3) MXene

Difan Zhang, Michael Ashton, Alireza Ostadhossein, Adri C. T. van Duin, Richard G. Hennig and Susan B. Sinnott

ACS Appl. Mater. Interfaces, 2017, 9, 34467
DOI: 10.1021/acsami.7b09895

Charge Transfer and Functionalization of Monolayer InSe by Physisorption of Small Molecules for Gas Sensing

Yongqing Cai, Gang Zhang and Yong-Wei Zhang

J. Phys. Chem. C, 2017, 121, 10182
DOI: 10.1021/acs.jpcc.7b02286

Recent progress on single atom/sub-nano electrocatalysts for energy applications

Duy Thanh Tran, Dinh Chuong Nguyen, Huu Tuan Le, Tolendra Kshetri, Van Hien Hoa, Thi Luu Luyen Doan, Nam Hoon Kim and Joong Hee Lee

Progress in Materials Science, 2021, 115, 100711
DOI: 10.1016/j.pmatsci.2020.100711

Coprecipitation synthesis and microstructure characterization of nanocomposite SrCr2O4/MXene

Naseem Akhtar, Malika Rani, Arshad Mahmood, Shamim Khan, G. Murtaza, Sobia Arbab, Kiran Batool, Zeid A. ALOthman, Mohamed Ouladsmane, Sajid Ali and Aqeel shah

Materials Science in Semiconductor Processing, 2022, 140, 106407
DOI: 10.1016/j.mssp.2021.106407

Surface Modification Strategy for Promoting the Performance of Non-noble Metal Single-Atom Catalysts in Low-Temperature CO Oxidation

Hai-Cai Huang, Jing Wang, Jun Li, Yang Zhao, Xiao-Xiao Dong, Jing Chen, Gang Lu, Yu-Xiang Bu and Shi-Bo Cheng

ACS Appl. Mater. Interfaces, 2020, 12, 19457
DOI: 10.1021/acsami.0c00811

Formation Mechanism, Geometric Stability and Catalytic Activity of a Single Iron Atom Supported on N‐Doped Graphene

Yanan Tang, Weiguang Chen, Bingjie Wu, Gao Zhao, Zhiyong Liu, Yi Li and Xianqi Dai

ChemPhysChem, 2019, 20, 2506
DOI: 10.1002/cphc.201900666

Ti3C2 MXene mediated Prussian blue in situ hybridization and electrochemical signal amplification for the detection of exosomes

Huixin Zhang, Zonghua Wang, Feng Wang, Yimeng Zhang, Hongye Wang and Yang Liu

Talanta, 2021, 224, 121879
DOI: 10.1016/j.talanta.2020.121879

Application of 2D MXene in Organic Electrode Materials for Rechargeable Batteries: Recent Progress and Perspectives

Zhengran Wang, Huiyu Jiang, Yuchan Zhang, Yongling An, Chuanliang Wei, Liwen Tan, Shenglin Xiong, Yitai Qian and Jinkui Feng

Adv Funct Materials, 2023, 33
DOI: 10.1002/adfm.202210184

Theoretical analysis of Ni atom-doped MXene for improving the catalytic degradation performance of SF6

Long Wang, Xiangyu Wang, Yiming Yan, Hao Qiu, Xinnuo Guo, Ju Tang and Fuping Zeng

Computational and Theoretical Chemistry, 2023, 1229, 114325
DOI: 10.1016/j.comptc.2023.114325

The Future of MXene Fibers

Ken Aldren S. Usman, Jizhen Zhang, Lingyi Bi, Shayan Seyedin, Xungai Wang, Yury Gogotsi and Joselito M. Razal

Advanced Materials, 2025, 37
DOI: 10.1002/adma.202506437

Non-noble metal single-atom catalyst of Co1/MXene (Mo2CS2) for CO oxidation

Shamraiz Hussain Talib, Sambath Baskaran, Xiaohu Yu, Qi Yu, Beenish Bashir, Shabbir Muhammad, Sajjad Hussain, Xuenian Chen and Jun Li

Sci. China Mater., 2021, 64, 651
DOI: 10.1007/s40843-020-1458-5

Titanium Carbide (Ti3C2Tx) MXene for Sequestration of Aquatic Pollutants

Swedha Madhu, Jayden MacKenzie, Kuljeet Singh Grewal, Aitazaz A. Farooque, Ghada I. Koleilat and Gurpreet Singh Selopal

ChemSusChem, 2024, 17
DOI: 10.1002/cssc.202400421

Coordinating single-atom catalysts on two-dimensional nanomaterials: A paradigm towards bolstered photocatalytic energy conversion

Xinlong Lin, Sue-Faye Ng and Wee-Jun Ong

Coordination Chemistry Reviews, 2022, 471, 214743
DOI: 10.1016/j.ccr.2022.214743

Pressure-Induced Modulation of Electronic and Optical Properties of Surface O-Functionalized Ti2C MXene

Xiao-Hong Li, Li Shan-Shan, Hong-Ling Cui and Rui-Zhou Zhang

ACS Omega, 2020, 5, 22248
DOI: 10.1021/acsomega.0c02435

Regulation of CO oxidation with Pd additives on Nb2CO2 MXene

Xilin Zhang, Chang Xu, Yiying Zhang, Cheng Cheng, Zongxian Yang and Kersti Hermansson

International Journal of Hydrogen Energy, 2021, 46, 8477
DOI: 10.1016/j.ijhydene.2020.11.278

Atomistic Origin of Phase Stability in Oxygen-Functionalized MXene: A Comparative Study

Avanish Mishra, Pooja Srivastava, Abel Carreras, Isao Tanaka, Hiroshi Mizuseki, Kwang-Ryeol Lee and Abhishek K. Singh

J. Phys. Chem. C, 2017, 121, 18947
DOI: 10.1021/acs.jpcc.7b06162

Enhanced Catalytic Oxidation of CO on Sulfur‐Doped Boron Nitride

Bingping Liu, Jin Yong Lee and Shihai Yan

ChemNanoMat, 2020, 6, 223
DOI: 10.1002/cnma.201900516

Exploring the Fe doped borazine system as a promising CFC adsorbent: A DFT study

Francisxavier Paularokiadoss, Chinnappan Adaikalaraj, Mariyan Sebastian Marianathan, Gaspar Anand, Sundaram Periyasamy, Thayalaraj Christopher Jeyakumar, Miguel Reina and Christian A. Celaya

Computational and Theoretical Chemistry, 2022, 1217, 113903
DOI: 10.1016/j.comptc.2022.113903

Significant effect of base assisted intercalates in synthesis of 2D semiconductor Ti3C2O2

Liguo Gao, Ning Wang, Junmei Cao, Yang Li and Tingli Ma

Surfaces and Interfaces, 2020, 20, 100604
DOI: 10.1016/j.surfin.2020.100604

Understanding the Activity of Single-Atom Catalysis from Frontier Orbitals

Zhaoming Fu, Bowen Yang and Ruqian Wu

Phys. Rev. Lett., 2020, 125
DOI: 10.1103/PhysRevLett.125.156001

Computational Screening of Single Atoms Anchored on Defective Mo2CO2 MXene Nanosheet as Efficient Electrocatalysts for the Synthesis of Ammonia

Shuo Wang, Lei Li, Kwan San Hui, Feng Bin, Wei Zhou, Xi Fan, E. Zalnezhad, Jing Li and Kwun Nam Hui

Adv Eng Mater, 2021, 23
DOI: 10.1002/adem.202100405

MXenes modified by single transition metal atom for hydrogen evolution reaction catalysts

Zhe Meng, Bikun Zhang, Qiong Peng, Yadong Yu, Jian Zhou and Zhimei Sun

Applied Surface Science, 2021, 562, 150151
DOI: 10.1016/j.apsusc.2021.150151

Electronic Nature Transition and Magnetism Creation in Vacancy-Defected Ti2CO2 MXene under Biaxial Strain: A DFTB + U Study

Taoufik Sakhraoui and František Karlický

ACS Omega, 2022, 7, 42221
DOI: 10.1021/acsomega.2c05037

Cu Anchored Ti2NO2 as High Performance Electrocatalyst for Oxygen Evolution Reaction: A Density Functional Theory Study

Zhiguo Chen, Xiaoli Fan, Zihan Shen, Xiaopeng Ruan, Lan Wang, Hanghang Zeng, Jiahui Wang, Yurong An and Yan Hu

ChemCatChem, 2020, 12, 4059
DOI: 10.1002/cctc.202000591

K1–xMo3P2O14 as Support for Single-Atom Catalysts

Xu Zhang, Zihe Zhang, Dihua Wu, Xudong Zhao and Zhen Zhou

J. Phys. Chem. C, 2017, 121, 22895
DOI: 10.1021/acs.jpcc.7b07643

CO oxidation mediated by Al‐doped ZnO nanoclusters: A first‐principles investigation

Mehdi D. Esrafili and Farzad Arjomandi Rad

Int J of Quantum Chemistry, 2022, 122
DOI: 10.1002/qua.26873

A comparative DFT study on single-atom catalysis of CO oxidation over Al- and P-embedded hexagonal boron-nitride nanosheets

Mehdi D. Esrafili and Soheila Asadollahi

Journal of Molecular Graphics and Modelling, 2018, 85, 323
DOI: 10.1016/j.jmgm.2018.09.012

First-principles study on CO oxidation on CuO(111) surface prefers the Eley−Rideal or Langmuir−Hinshelwood pathway

Long Lin, Pei Shi, Linwei Yao, Kun Xie, Hualong Tao, Zhanying Zhang and Yanfang Wang

Nanotechnology, 2022, 33, 205504
DOI: 10.1088/1361-6528/ac4f19

Mn-doped SnS2 nanostructure as a potential efficiency CO catalyst: A first-principles study

Mingyu Zhao, Rumeng Zhao, Wei Li, Tianxing Wang, Yaqiang Ma and Xianqi Dai

Applied Surface Science, 2019, 471, 678
DOI: 10.1016/j.apsusc.2018.12.037

Two-Dimensional Half-Metallic and Semiconducting Lanthanide-Based MXenes

Xiaojing Bai, Yuanbin Xue, Kan Luo, Ke Chen, Qing Huang, Xian-Hu Zha and Shiyu Du

ACS Omega, 2022, 7, 40929
DOI: 10.1021/acsomega.2c03964

CO-tolerant electrocatalysts for hydrogen fuel cells: Fundamental study-based design and real-life applications

Jaeho Byeon, Seongbeen Kim, Seonggyu Lee, Jong Hyun Jang, Soo-Kil Kim and Jinwoo Lee

Chemical Engineering Journal, 2024, 493, 152626
DOI: 10.1016/j.cej.2024.152626

Recent progress of MXenes as the support of catalysts for the CO oxidation and oxygen reduction reaction

Yiying Zhang, Xilin Zhang, Cheng Cheng and Zongxian Yang

Chinese Chemical Letters, 2020, 31, 931
DOI: 10.1016/j.cclet.2019.12.010

A theoretical study of electrocatalytic ammonia synthesis on single metal atom/MXene

Yijing Gao, Han Zhuo, Yongyong Cao, Xiang Sun, Guilin Zhuang, Shengwei Deng, Xing Zhong, Zhongzhe Wei and Jianguo Wang

Chinese Journal of Catalysis, 2019, 40, 152
DOI: 10.1016/S1872-2067(18)63197-3

A new single-layer structure of MBene family: Ti2B

I Ozdemir, Y Kadioglu, O Üzengi Aktürk, Y Yuksel, Ü Akıncı and E Aktürk

J. Phys.: Condens. Matter, 2019, 31, 505401
DOI: 10.1088/1361-648X/ab3d1d

Titanium Carbide (Ti3C2Tx) MXene Ornamented with Palladium Nanoparticles for Electrochemical CO Oxidation

Belal Salah, Kamel Eid, Ahmed M. Abdelgwad, Yasmeen Ibrahim, Aboubakr M. Abdullah, Mohammad K. Hassan and Kenneth I. Ozoemena

Electroanalysis, 2022, 34, 677
DOI: 10.1002/elan.202100269

Adsorption study of SF6 molecules on Pt-doped two-dimensional material Ti3C2Tx Mxene

Xiangyu Wang, Fuping Zeng, Hao Qiu, Xinnuo Guo, Qiang Yao, Long Li and Ju Tang

AIP Advances, 2023, 13
DOI: 10.1063/5.0157302

Two-dimensional scandium-based carbides (MXene): Band gap modulation and optical properties

Jianxin Guo, Yong Sun, Baozhong Liu, Qingrui Zhang and Qiuming Peng

Journal of Alloys and Compounds, 2017, 712, 752
DOI: 10.1016/j.jallcom.2017.04.149

First-principles study of the electronic, optical and transport of few-layer semiconducting MXene

Yuhong Zhou, Zhenbo Peng, Yadong Chen, Kan Luo, Jian Zhang and Shiyu Du

Computational Materials Science, 2019, 168, 137
DOI: 10.1016/j.commatsci.2019.05.051

Preparation, characterization and catalytic performance of single-atom catalysts

Liqiong Wang, Liang Huang, Feng Liang, Simin Liu, Yuhua Wang and Haijun Zhang

Chinese Journal of Catalysis, 2017, 38, 1528
DOI: 10.1016/S1872-2067(17)62770-0

Al doped MoS2 monolayer: A promising low-cost single atom catalyst for CO oxidation

Donglin Li, Wenliang Li and Jingping Zhang

Applied Surface Science, 2019, 484, 1297
DOI: 10.1016/j.apsusc.2019.02.016

Efficient capturing and oxidation of CO through bimetallic surface alloying on WC (0001)

Yuling Zhao, Xilin Zhang and Zongxian Yang

Journal of Alloys and Compounds, 2020, 844, 156125
DOI: 10.1016/j.jallcom.2020.156125

Microstructures and electromagnetic interference shielding properties of 2D defective Mo1.33C (MXene)

Jiaxin Yang, Zhaohui Chen, Xiaodan Chi, Tao Yu, Wenyu Deng, Yanjun Lu, Lijun Qi, Shuang Yuan, Qiang Wang and Weibin Cui

Funct. Mater. Lett., 2024, 17
DOI: 10.1142/S179360472440006X

DFT Exploring Corrosion Barrier of Pristine and C-vacancy Ti3C2 MXenes in the Marine Environment

Liqiu Ma, Jinyong Peng, Jianbo Zhang, Zhibin Lu and Shengguo Zhou

J. Phys. Chem. C, 2024, 128, 17047
DOI: 10.1021/acs.jpcc.4c05617

Two-dimensional MXenes: From morphological to optical, electric, and magnetic properties and applications

Xiantao Jiang, Artem V. Kuklin, Alexander Baev, Yanqi Ge, Hans Ågren, Han Zhang and Paras N. Prasad

Physics Reports, 2020, 848, 1
DOI: 10.1016/j.physrep.2019.12.006

Ti3C2T x MXene anchoring semi-metallic selenium atoms: self-powered photoelectrochemical-type photodetector, hydrogen evolution, and gas-sensing applications

Jalal Azadmanjiri, Pradip Kumar Roy, Lukáš Děkanovský, Jakub Regner and Zdeněk Sofer

2D Mater., 2022, 9, 045019
DOI: 10.1088/2053-1583/ac88e2

Ti3C2 MXene Paper for the Effective Adsorption and Controllable Release of Aroma Molecules

Jing‐Hao Ciou, Shaohui Li and Pooi See Lee

Small, 2019, 15
DOI: 10.1002/smll.201903281

Dispersion corrected density functional study of CO oxidation on pristine/functionalized/doped graphene surfaces in aqueous phase

Mohd Riyaz, Sarita Yadav and Neetu Goel

Journal of Molecular Graphics and Modelling, 2018, 79, 27
DOI: 10.1016/j.jmgm.2017.11.004

Progress and Perspective: MXene and MXene‐Based Nanomaterials for High‐Performance Energy Storage Devices

Xiaodan Xu, Yelong Zhang, Hongyang Sun, Jianwen Zhou, Fan Yang, Hao Li, Hao Chen, Yucheng Chen, Zheng Liu, Zhenping Qiu, Da Wang, Lipo Ma, Jiawei Wang, Qingguang Zeng and Zhangquan Peng

Adv Elect Materials, 2021, 7
DOI: 10.1002/aelm.202000967

Surface Modified Ti3C2 MXene Nanosheets for Tumor Targeting Photothermal/Photodynamic/Chemo Synergistic Therapy

Gongyuan Liu, Jianhua Zou, Qianyun Tang, Xiaoyan Yang, Yewei Zhang, Qi Zhang, Wei Huang, Peng Chen, Jinjun Shao and Xiaochen Dong

ACS Appl. Mater. Interfaces, 2017, 9, 40077
DOI: 10.1021/acsami.7b13421

Surface and Heterointerface Engineering of 2D MXenes and Their Nanocomposites: Insights into Electro- and Photocatalysis

Jiahe Peng, Xingzhu Chen, Wee-Jun Ong, Xiujian Zhao and Neng Li

Chem, 2019, 5, 18
DOI: 10.1016/j.chempr.2018.08.037

MXenes, properties and synthesis routes: A review

Golsa Sadat Elyasi, Mehdi Ardjmand and Omid Arjmand

Inorganic Chemistry Communications, 2025, 180, 114948
DOI: 10.1016/j.inoche.2025.114948

Ab initio characterization of hybrid MOF-MXenes surfaces: The case of Cu-pyridyl on Ti2CO2

A.I. Uliankina, V.A. Gorbunov and M. Calatayud

Catalysis Today, 2024, 426, 114396
DOI: 10.1016/j.cattod.2023.114396

Mechanotribological Aspects of MXene‐Reinforced Nanocomposites

Massoud Malaki and Rajender S. Varma

Advanced Materials, 2020, 32
DOI: 10.1002/adma.202003154

High-performance and robust polysulfone nanocomposite membrane containing 2D functionalized MXene nanosheets for the nanofiltration of salt and dye solutions

Amirhosein Dashtbozorg, Ehsan Saljoughi, Seyed Mahmoud Mousavi and Shirin Kiani

Desalination, 2022, 527, 115600
DOI: 10.1016/j.desal.2022.115600

Pd-doped C3N monolayer: A promising low-temperature and high-activity single-atom catalyst for CO oxidation

Hao Cui, Zhongqi Liu and Pengfei Jia

Applied Surface Science, 2021, 537, 147881
DOI: 10.1016/j.apsusc.2020.147881

DFT screening of single atom catalysts in van der Waals gap of Ti3C2Tx MXenes for enhanced hydrogen evolution reaction

Mohsen Tamtaji and Mohammad Kazemeini

Journal of Physics and Chemistry of Solids, 2025, 201, 112635
DOI: 10.1016/j.jpcs.2025.112635

First-principle study of electronic properties and quantum capacitance of lithium adsorption on pristine and vacancy-defected O-functionalized Ti2C MXene

Xiao-Hong Li, Shan-Shan Li, Xing-Hao Cui, Rui-Zhou Zhang and Hong-Ling Cui

Applied Surface Science, 2021, 563, 150264
DOI: 10.1016/j.apsusc.2021.150264

Quantum Capacitance of Mo2N MXene for Supercapacitor Applications

Bharti Beniwal, Yogesh Kumar, Meenal Gupta and Shatendra Sharma

Macromolecular Symposia, 2024, 413
DOI: 10.1002/masy.202200198

Oxygen-transfer from N2O to CO via Y-doped Ti2CO2 (MXene) monolayer at room temperature: Density functional theory and ab initio molecular simulation studies

Yang-Xin Yu

Journal of Colloid and Interface Science, 2025, 695, 137799
DOI: 10.1016/j.jcis.2025.137799

Two-dimensional MXene Ti3C2 produced by exfoliation of Ti3AlC2

Aihu Feng, Yun Yu, Yong Wang, Feng Jiang, Yang Yu, Le Mi and Lixin Song

Materials & Design, 2017, 114, 161
DOI: 10.1016/j.matdes.2016.10.053

Single-atom catalysts for CO oxidation, CO2 reduction, and O2 electrochemistry

Wenyu Yuan, Yiyuan Ma, Heng Wu and Laifei Cheng

Journal of Energy Chemistry, 2022, 65, 254
DOI: 10.1016/j.jechem.2021.05.046