Dongchuang Wu, Xinyue Wang, Linghao Shi, Kaiyue Jiang, Mengjia Wang, Chenbao Lu, Zhenying Chen, Pan Liu, Jichao Zhang, Diana Tranca, Yang Hou, Yu Chen and Xiaodong Zhuang

J. Mater. Chem. A, 2020, 8, 21661
DOI: 10.1039/D0TA07867K

Getting insights into the edge effect of FeN4C catalysts on the electroreduction of CO to methane by density functional theory calculations

Yuxin Xie, Di Li, Hongjing Dai and Xiaohua Chen

Phys. Chem. Chem. Phys., 2025, 27, 9211
DOI: 10.1039/D5CP00495K

Mechanistic understanding and design of non-noble metal-based single-atom catalysts supported on two-dimensional materials for CO2 electroreduction

Ya Huang, Faisal Rehman, Mohsen Tamtaji, Xuning Li, Yanqiang Huang, Tao Zhang and Zhengtang Luo

J. Mater. Chem. A, 2022, 10, 5813
DOI: 10.1039/D1TA08337F

Clarifying the local microenvironment of metal–organic frameworks and their derivatives for electrochemical CO2 reduction: advances and perspectives

Muhammad Kashif Aslam, Kang Yang, Sheng Chen, Qiang Li and Jingjing Duan

EES Catal., 2023, 1, 179
DOI: 10.1039/D3EY00018D

First principles studies of mononuclear and dinuclear Pacman complexes for electrocatalytic reduction of CO2

Gurpreet Kour, Xin Mao and Aijun Du

Catal. Sci. Technol., 2021, 11, 637
DOI: 10.1039/D0CY01757D

Recent progress of density functional theory studies on carbon-supported single-atom catalysts for energy storage and conversion

Hengjia Shao, Li Zhong, Xingqiao Wu, Yun-Xiao Wang, Sean C. Smith and Xin Tan

Chem. Commun., 2025, 61, 2203
DOI: 10.1039/D4CC05900J

Metal dimers embedded vertically in defect-graphene as gas sensors: a first-principles study

Linke Yu and Fengyu Li

Phys. Chem. Chem. Phys., 2022, 24, 9842
DOI: 10.1039/D2CP00672C

Theoretical guidance for targeted modulation of metal–nitrogen single atom active sites on 3D porous carbon to optimize electrocatalytic performance in energy conversion applications

Tianxiang Yang, Yongwei Zhang, Jing Shi, Guangping Yang, Jiaoe Dang, Menglong Sun, Asim Arshad, Nosheen Zafar and Sining Yun

J. Mater. Chem. A, 2025, 13, 5400
DOI: 10.1039/D4TA05738D

CO2 reduction to CH4 on Cu-doped phosphorene: a first-principles study

Hong-ping Zhang, Run Zhang, Chenghua Sun, Yan Jiao and Yaping Zhang

Nanoscale, 2021, 13, 20541
DOI: 10.1039/D1NR06066J

Graphene-based catalysts for electrochemical CO2 reduction reaction

Lankamullage Hasini Amanda Wijewardena, Woo Seok Cheon, Seol-Ha Jeong, Jungwon Park and Ho Won Jang

RSC Sustainability, 2025, 3, 2779
DOI: 10.1039/D5SU00174A

Quantum chemical studies of transition metal single-atom catalysts: exploration of catalytic descriptors

Bo Li, Mingyue Zheng, Shichen Lin, Feng Long Gu, Jun Jiang and Chuanyi Jia

J. Mater. Chem. C, 2024, 12, 8067
DOI: 10.1039/D4TC01052C

Noble-metal-free electrocatalysts toward H2O2production

Kai Dong, Ying Lei, Haitao Zhao, Jie Liang, Peng Ding, Qian Liu, Zhaoquan Xu, Siyu Lu, Quan Li and Xuping Sun

J. Mater. Chem. A, 2020, 8, 23123
DOI: 10.1039/D0TA08894C

Multi-atom cluster catalysts for efficient electrocatalysis

Libo Sun, Vikas Reddu and Xin Wang

Chem. Soc. Rev., 2022, 51, 8923
DOI: 10.1039/D2CS00233G

Data-driven design of dual-metal-site catalysts for the electrochemical carbon dioxide reduction reaction

Haisong Feng, Hu Ding, Peinan He, Si Wang, Zeyang Li, Zikang Zheng, Yusen Yang, Min Wei and Xin Zhang

J. Mater. Chem. A, 2022, 10, 18803
DOI: 10.1039/D2TA04556G

Mechanistic understanding of 3d-metal phthalocyanine catalysts: heterostructure regulation of dz2 orbitals for efficient CO2 reduction

Jiayong Xiao, Jofrey J. Masana, Hao Dong, Hui Zhang, Haolan Yang, Ming Qiu and Ying Yu

J. Mater. Chem. A, 2023, 11, 24359
DOI: 10.1039/D3TA05834D

Exploring the Active Site and Catalytic Activity of N-Coordinated Ni2 Dual-Atom Catalysts for Oxygen Reduction Reaction

Ashok Singh and Srimanta Pakhira

ACS Appl. Energy Mater., 2025, 8, 1544
DOI: 10.1021/acsaem.4c02649

Cu−based bimetallic sites' p-d orbital hybridization promotes CO asymmetric coupling conversion to C2 products

Jiayong Xiao, Jofrey J. Masana, Ming Qiu and Ying Yu

Materials Today Physics, 2024, 48, 101565
DOI: 10.1016/j.mtphys.2024.101565

Atomic design of carbon-based dual-metal site catalysts for energy applications

Huishan Shang and Di Liu

Nano Res., 2023, 16, 6477
DOI: 10.1007/s12274-023-5449-9

Designing and Engineering Atomically Dispersed Metal Catalysts for CO2 to CO Conversion: From Single to Dual Metal Sites

Yi Li, Huanhuan Wang, Xiaoxuan Yang, Thomas O'Carroll and Gang Wu

Angew Chem Int Ed, 2024, 63
DOI: 10.1002/anie.202317884

Insights into the electronic structure coupling effect of dual-metal atomic electrocatalytic platform for efficient clean energy conversion

Wei Xu, Yunfei Wang, Cheng Zhang, Xinxia Ma, Jiang Wu, Yongsheng Liu, Baichuan Lu, Hai Zhang, Conglu Ming and Junxin Xiang

Chemical Engineering Journal, 2023, 461, 141911
DOI: 10.1016/j.cej.2023.141911

Rational Design of Transition‐Metal Dual‐Atom Catalysts: Exploiting Neighboring Effects for Efficient CO2 Reduction

Fanyong Yan, Bing Bai, Juanru Huang, Jinxia Xu and Yang Fu

Carbon Neutralization, 2026, 5
DOI: 10.1002/cnl2.70146

“More is Different:” Synergistic Effect and Structural Engineering in Double‐Atom Catalysts

Yiran Ying, Xin Luo, Jinli Qiao and Haitao Huang

Adv Funct Materials, 2021, 31
DOI: 10.1002/adfm.202007423

Dual metal atom catalysts: Advantages in electrocatalytic reactions

Kaihua Liu, Jing Li, Yuanyuan Liu, Meiri Wang and Hongtao Cui

Journal of Energy Chemistry, 2023, 79, 515
DOI: 10.1016/j.jechem.2023.01.021

Advances and perspectives on heteronuclear dual-atomic catalysts for prevailing the linear scaling relationship in electrocatalytic CO2 reduction

Ghulam Yasin, Anuj Kumar, Saira Ajmal, Muhammad Asim Mushtaq, Mohammad Tabish, Ali Saad, Mohammed A. Assiri, M. Tariq Nazir and Qiongfang Zhuo

Coordination Chemistry Reviews, 2024, 501, 215589
DOI: 10.1016/j.ccr.2023.215589

Effects of potassium ions and platinum cocatalysts on the photocatalytic performance of Poly(Heptazine Imides)

Xiaoxiao Chen, Xu Cai, Yi Li, Yongfan Zhang and Wei Lin

Applied Surface Science, 2023, 639, 158275
DOI: 10.1016/j.apsusc.2023.158275

Leveraging Dual‐Atom Catalysts for Electrocatalysis Revitalization: Exploring the Structure‐Performance Correlation

Man‐Kei Wong, Joel Jie Foo, Jian Yiing Loh and Wee‐Jun Ong

Advanced Energy Materials, 2024, 14
DOI: 10.1002/aenm.202303281

Screening Framework of Metal–N–C Diatomic Catalysts for Electrochemical CO2 Reduction

Yanyang Qin, Shishi Zhang, Fangyuan Wang, Yanhui Yu, Peng Rao, Yuanjun Zhao, Tiantian Wu, Xinlong Tian, Shujiang Ding and Yaqiong Su

ACS Catal., 2026, 16, 2484
DOI: 10.1021/acscatal.5c07689

Emerging low-nuclearity supported metal catalysts with atomic level precision for efficient heterogeneous catalysis

Xiaobo Zheng, Beibei Li, Qishun Wang, Dingsheng Wang and Yadong Li

Nano Res., 2022, 15, 7806
DOI: 10.1007/s12274-022-4429-9

Emerging Dual‐Atomic‐Site Catalysts for Efficient Energy Catalysis

Weiyu Zhang, Yuguang Chao, Wenshu Zhang, Jinhui Zhou, Fan Lv, Kai Wang, Fangxu Lin, Heng Luo, Jing Li, Meiping Tong, Erkang Wang and Shaojun Guo

Advanced Materials, 2021, 33
DOI: 10.1002/adma.202102576

The Influence of Single-Atom Fe2+/3+N4 Spin State on the Electroreduction of CO2 to CO/HCOOH by Analyzing Proton/Electron Transfer Mechanisms and Free Energy Evolutions

Yuxin Xie, Nian Liu, Xin Li, Xin Qin, Xin Luo, Yuanying Wang and Xiaohua Chen

J. Phys. Chem. C, 2021, 125, 21460
DOI: 10.1021/acs.jpcc.1c06963

Synergetic Dual‐Atom Catalysts: The Next Boom of Atomic Catalysts

Huimin Liu, Hongpan Rong and Jiatao Zhang

ChemSusChem, 2022, 15
DOI: 10.1002/cssc.202200498

Advanced electrocatalysts with Dual-metal doped carbon Materials: Achievements and challenges

Jing Wang, Chunxiao Liu, Shuang Li, Yan Li, Qingrui Zhang, Qiuming Peng, John S. Tse and Zhijian Wu

Chemical Engineering Journal, 2022, 428, 132558
DOI: 10.1016/j.cej.2021.132558

Mechanistic study of C1 product formation from CO2 reduction using transition metal clusters-embedded C2N

Shuwei Zhang, Jiali Liu, Hui Li and Yang Wu

Electrochimica Acta, 2025, 539, 147061
DOI: 10.1016/j.electacta.2025.147061

Bismuth Metal Porphyrin Framework Doped RuO2 Derived Bi2O3-RuO2@C Composites for Highly Selective CO2 Electroreduction

Mingran Yang, Yingchen Xu, Zhengcha Pang, Chenghan Yang, Jinqiang Huang, Min Zhu and Yiwei Zhang

J. Electrochem. Soc., 2024, 171, 096503
DOI: 10.1149/1945-7111/ad7532

Recent Advances in Strategies for Improving the Performance of CO2 Reduction Reaction on Single Atom Catalysts

Qiyou Wang, Chao Cai, Minyang Dai, Junwei Fu, Xiaodong Zhang, Huangjingwei Li, Hang Zhang, Kejun Chen, Yiyang Lin, Hongmei Li, Junhua Hu, Masahiro Miyauchi and Min Liu

Small Science, 2021, 1
DOI: 10.1002/smsc.202000028

Theoretical insights of catalytic oxidation of Hg0 on g-C3N4-supported Fe/Co/Ni-based bi-metallic catalysts using O2 in coal-fired flue gas as the oxidant

Shuai Liu, Mengxia Xu, Chengheng Pang, Edward Lester and Tao Wu

Fuel, 2021, 306, 121593
DOI: 10.1016/j.fuel.2021.121593

Insights into Pd-Nb@In2Se3 Electrocatalyst for High-Performance and Selective CO2 Reduction Reaction from DFT

Lin Ju, Xiao Tang, Yixin Zhang, Mengya Chen, Shuli Liu and Chen Long

Inorganics, 2025, 13, 146
DOI: 10.3390/inorganics13050146

Copper Dimer Anchored in g‐CN Monolayer as an Efficient Electrocatalyst for CO2 Reduction Reaction: A Computational Study

Cong Wang, Changyan Zhu, Min Zhang, Yun Geng and Zhongmin Su

Advcd Theory and Sims, 2020, 3
DOI: 10.1002/adts.202000218

What size of Cun clusters loaded on poly(heptazine imide) have better catalytic performance for acetylene semi-hydrogenation?

Xiaoxiao Chen, Yi Li, Yaofeng Yuan and Wei Lin

Molecular Catalysis, 2024, 569, 114605
DOI: 10.1016/j.mcat.2024.114605

Unveiling the Selectivity of CO2 Reduction on Cu2ZnSnS4: The Effect of Exposed Termination

Yuehua Kong, Yi Li, Yongfan Zhang and Wei Lin

J. Phys. Chem. C, 2021, 125, 24967
DOI: 10.1021/acs.jpcc.1c08013

Theoretical insight on why N-vacancy promotes the selective CO2 reduction to ethanol on NiMn doped graphitic carbon nitride sheets

Thantip Roongcharoen, Poobodin Mano, Thanadol Jitwatanasirikul, Pornsawan Sikam, Teera Butburee, Kaito Takahashi and Supawadee Namuangruk

Applied Surface Science, 2022, 595, 153527
DOI: 10.1016/j.apsusc.2022.153527

Reaction mechanisms and activities of dual-metal sites for Li-CO2 batteries: The first-principle investigation

Xiaolin Liu, Ruihu Lu, Qian Liu, Min Zhou, Xiaobin Liao, Zhaoyang Wang and Yan Zhao

Applied Surface Science, 2023, 616, 156493
DOI: 10.1016/j.apsusc.2023.156493

Main-group metal elements as promising active centers for single-atom catalyst toward nitric oxide reduction reaction

Qian Wu, Baibiao Huang, Ying Dai, Thomas Heine and Yandong Ma

npj 2D Mater Appl, 2022, 6
DOI: 10.1038/s41699-022-00326-4

Electrochemical CO2 Reduction on Janus Dual‐Atom Catalysts: Critical Role of Oxygen Coordination and an Effective Descriptor

Hongling Liu, Zhichao Yu, Jia Zhao, Weng Fai Ip, Sen Lin and Hui Pan

Advanced Science, 2025, 12
DOI: 10.1002/advs.202507849

Designing and Engineering Atomically Dispersed Metal Catalysts for CO2 to CO Conversion: From Single to Dual Metal Sites

Yi Li, Huanhuan Wang, Xiaoxuan Yang, Thomas O'Carroll and Gang Wu

Angewandte Chemie, 2024, 136
DOI: 10.1002/ange.202317884

Synthesizing Liquid Fuels Over Carbon‐Based Catalysts Via CO2 Conversion

Cederick Cyril Amoo, Qingjie Ge, Vitaly Ordomsky and Jian Sun

Advanced Science, 2025, 12
DOI: 10.1002/advs.202410280

Bimetallic atomic site catalysts for CO2 reduction reactions: a review

Junwei Fu, Kang Liu, Hongmei Li, Junhua Hu and Min Liu

Environ Chem Lett, 2022, 20, 243
DOI: 10.1007/s10311-021-01335-3

Synergistic effect of nickel and calcium dual-atomic sites to facilitate electrochemical CO2 reduction to methanol: Combining high activity and selectivity

Xiaohang Wang, Zongchang Mao, Guanping Wei, Yuqin Zhang, Baolei Li, Ling Zhu, Si-Min Xu, Jun Jiang and Shaobin Tang

Applied Surface Science, 2023, 639, 158243
DOI: 10.1016/j.apsusc.2023.158243

Efficient and Selective Electrochemical CO2 to Formic Acid Conversion: A First-Principles Study of Single-Atom and Dual-Atom Catalysts on Tin Disulfide Monolayers

Guanming Chen, Margherita Buraschi, Rashid Al-Heidous, Satyanarayana Bonakala, Fedwa El-Mellouhi and Clotilde S. Cucinotta

J. Phys. Chem. C, 2024, 128, 15861
DOI: 10.1021/acs.jpcc.4c02283

N-bridged Ni and Mn single-atom pair sites: A highly efficient electrocatalyst for CO2 conversion to CO

Hyunsu Han, Juhwan Im, Myungsuk Lee and Daehyun Choo

Applied Catalysis B: Environmental, 2023, 320, 121953
DOI: 10.1016/j.apcatb.2022.121953

Unraveling the H2S selective oxidation in cobalt phosphate cluster loaded polymeric carbon nitride

Hongli Xu, Wanxiang Yang, Can Yang and Wei Lin

Surfaces and Interfaces, 2024, 46, 104111
DOI: 10.1016/j.surfin.2024.104111

Dual-Atom Metal and Nonmetal Site Catalyst on a Single Nickel Atom Supported on a Hybridized BCN Nanosheet for Electrochemical CO2 Reduction to Methane: Combining High Activity and Selectivity

Yuqin Zhang, Tianyong Liu, Xiaohang Wang, Qian Dang, Mingjie Zhang, Shiyong Zhang, Xingxing Li, Shaobin Tang and Jun Jiang

ACS Appl. Mater. Interfaces, 2022, 14, 9073
DOI: 10.1021/acsami.1c22761

Dual-atom active sites embedded in two-dimensional C2N for efficient CO2 electroreduction: A computational study

Haimei Liu, Qingliang Huang, Wei An, Yuanqiang Wang, Yong Men and Shuang Liu

Journal of Energy Chemistry, 2021, 61, 507
DOI: 10.1016/j.jechem.2021.02.007

Atomically Dispersed Dual‐Metal Site Catalysts for Enhanced CO2 Reduction: Mechanistic Insight into Active Site Structures

Yi Li, Weitao Shan, Michael J. Zachman, Maoyu Wang, Sooyeon Hwang, Hassina Tabassum, Juan Yang, Xiaoxuan Yang, Stavros Karakalos, Zhenxing Feng, Guofeng Wang and Gang Wu

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202205632

High-throughput screening of MIMII-PC6 dual-atom electrocatalysts for efficient and selective electrocatalytic reduction of CO2 to C1 and C2 products

Jing Wang, Feng Xiang, Yangyang Song, Haixia Wang, Chen Chen, Xian Zhao and Weiliu Fan

Materials Today Physics, 2025, 50, 101613
DOI: 10.1016/j.mtphys.2024.101613

Recent Advances in Non-Precious Metal–Nitrogen–Carbon Single-Site Catalysts for CO2 Electroreduction Reaction to CO

Yiqun Chen, Junru Zhang, Lijun Yang, Xizhang Wang, Qiang Wu and Zheng Hu

Electrochem. Energy Rev., 2022, 5
DOI: 10.1007/s41918-022-00156-4

Highly Efficient Electrocatalytic Oxygen Evolution Over Atomically Dispersed Synergistic Ni/Co Dual Sites

Zhihao Pei, Xue Feng Lu, Huabin Zhang, Yunxiang Li, Deyan Luan and Xiong Wen (David) Lou

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202207537

Double-atom catalysts for energy-related electrocatalysis applications: a theoretical perspective

Donghai Wu, Bingling He, Yuanyuan Wang, Peng Lv, Dongwei Ma and Yu Jia

J. Phys. D: Appl. Phys., 2022, 55, 203001
DOI: 10.1088/1361-6463/ac4b56

Atomically dispersed metal catalysts confined by covalent organic frameworks and their derivatives for electrochemical energy conversion and storage

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

Coordination Chemistry Reviews, 2022, 466, 214592
DOI: 10.1016/j.ccr.2022.214592

Transition metal doped pyrrole-NC for high-performance CO2 reduction reaction to C1 products

Maohuai Wang, Lingyan Kong, Xiaoqing Lu and Chi-Man Lawrence Wu

Applied Surface Science, 2023, 618, 156678
DOI: 10.1016/j.apsusc.2023.156678

Double-Atom Catalysts Featuring Inverse Sandwich Structure for CO2 Reduction Reaction: A Synergetic First-Principles and Machine Learning Investigation

Linke Yu, Fengyu Li, Jingsong Huang, Bobby G. Sumpter, William E. Mustain and Zhongfang Chen

ACS Catal., 2023, 13, 9616
DOI: 10.1021/acscatal.3c01584

Catalytic reactivity descriptors of metal‐nitrogen‐doped carbon catalysts for electrocatalysis

Hong Liu, Jiejie Li, Jordi Arbiol, Bo Yang and Pengyi Tang

EcoEnergy, 2023, 1, 154
DOI: 10.1002/ece2.12

Real space characterizations of catalysts by advanced transmission electron microscopy

Yi-Chi Wang, Ang Gao and Lin Gu

Sci. China Chem., 2026
DOI: 10.1007/s11426-025-3161-3

Accelerated prediction of Cu-based single-atom alloy catalysts for CO2 reduction by machine learning

Dashuai Wang, Runfeng Cao, Shaogang Hao, Chen Liang, Guangyong Chen, Pengfei Chen, Yang Li and Xiaolong Zou

Green Energy & Environment, 2023, 8, 820
DOI: 10.1016/j.gee.2021.10.003

Recent advances in the theoretical studies on the electrocatalytic CO2 reduction based on single and double atoms

Yuxiao Meng, Hongjie Huang, You Zhang, Yongyong Cao, Hanfeng Lu and Xi Li

Front. Chem., 2023, 11
DOI: 10.3389/fchem.2023.1172146

d-p Orbital hybridization engineering in InFe dual-atom catalysts for CO2 electroreduction

Changlin Lin, Bowen Li, Qi Wang, Yongfeng Lun, Yangyang Liu, Yi Wang and Shuqin Song

Journal of Energy Chemistry, 2026
DOI: 10.1016/j.jechem.2026.03.013

Dual‐Site Metal Catalysts for Electrocatalytic CO2 Reduction Reaction

Li Liu, Xueting Wu, Fei Wang, Lingling Zhang, Xiao Wang, Shuyan Song and Hongjie Zhang

Chemistry A European J, 2023, 29
DOI: 10.1002/chem.202300583

Dual-atom catalysts: controllable synthesis and electrocatalytic applications

Shengbo Zhang, Yanfen Wu, Yu-Xiao Zhang and Zhiqiang Niu

Sci. China Chem., 2021, 64, 1908
DOI: 10.1007/s11426-021-1106-9

Rational Design of Dual-Atom Catalysts for Electrochemical CO2 Reduction to C1 and C2 Products with High Activity and Selectivity: A Density Functional Theory Study

Zhongze Bai, Zhuo Zhi, Xi Zhuo Jiang and Kai H. Luo

Ind. Eng. Chem. Res., 2025, 64, 4378
DOI: 10.1021/acs.iecr.4c04831

Toward Rational Design of Dual-Metal-Site Catalysts: Catalytic Descriptor Exploration

Chuanyi Jia, Qian Wang, Jing Yang, Ke Ye, Xiyu Li, Wenhui Zhong, Hujun Shen, Edward Sharman, Yi Luo and Jun Jiang

ACS Catal., 2022, 12, 3420
DOI: 10.1021/acscatal.1c06015

Dual‐metal single‐atomic catalyst: The challenge in synthesis, characterization, and mechanistic investigation for electrocatalysis

Changli Chen, Mengru Sun, Kaixuan Wang and Yujing Li

SmartMat, 2022, 3, 533
DOI: 10.1002/smm2.1085

Atomic-level regulation strategies of single-atom catalysts: Nonmetal heteroatom doping and polymetallic active site construction

Yue Wu, Zewen Zhuang, Chang Chen, Jiazhan Li, Fangxing Xiao and Chen Chen

Chem Catalysis, 2023, 3, 100586
DOI: 10.1016/j.checat.2023.100586

Highly Efficient Electrocatalytic Oxygen Evolution Over Atomically Dispersed Synergistic Ni/Co Dual Sites

Zhihao Pei, Xue Feng Lu, Huabin Zhang, Yunxiang Li, Deyan Luan and Xiong Wen (David) Lou

Angew Chem Int Ed, 2022, 61
DOI: 10.1002/anie.202207537

Designing and Understanding the Outstanding Tri‐Iodide Reduction of N‐Coordinated Magnetic Metal Modified Defect‐Rich Carbon Dodecahedrons in Photovoltaics

Menglong Sun, Sining Yun, Jing Shi, Yongwei Zhang, Asim Arshad, Jiaoe Dang, Lishan Zhang, Xi Wang and Zhuolei Liu

Small, 2021, 17
DOI: 10.1002/smll.202102300

Hybrid Metal–Boron Diatomic Site Embedded in C2N Monolayer Promotes C–C Coupling in CO2 Electroreduction

Miaomiao He, Wei An, Yuanqiang Wang, Yong Men and Shuang Liu

Small, 2021, 17
DOI: 10.1002/smll.202104445

Mechanism investigation of photocatalytic CO2 reduction to C1 products on transition metal and sulfur co-doped polymeric carbon nitride

Yongyi Zheng, Dongsheng Chen and Wei Lin

Applied Surface Science, 2026, 730, 166292
DOI: 10.1016/j.apsusc.2026.166292

Not One, Not Two, But at Least Three: Activity Origin of Copper Single-Atom Catalysts toward CO2/CO Electroreduction to C2+ Products

Juan Zhang, Yu Wang and Yafei Li

J. Am. Chem. Soc., 2024, 146, 14954
DOI: 10.1021/jacs.4c05669

Atomically Structural Regulations of Carbon‐Based Single‐Atom Catalysts for Electrochemical CO2Reduction

Shu‐Guo Han, Dong‐Dong Ma and Qi‐Long Zhu

Small Methods, 2021, 5
DOI: 10.1002/smtd.202100102

CO2 reduction performance of Cu/Er supported on N-doped graphene: A first principles study

Yaning Zhang, Wenhai Xu, Anuj Kumar, Hao Sun, Aiqing Cao, Zhuang Zhang, Zheheng Jiang, Zuoyin Yang, Juncai Dong and Yaping Li

Molecular Catalysis, 2023, 547, 113335
DOI: 10.1016/j.mcat.2023.113335

Advancing polynary-atom catalysts: Customization, preparation and utilization

Beibei Li, Conglei Xu, Yifei Wang, Peiyang Duan, Zhirong Sun and Jingyu Sun

Journal of Energy Chemistry, 2025, 106, 475
DOI: 10.1016/j.jechem.2025.02.033

Synergy of dual-atom catalysts deviated from the scaling relationship for oxygen evolution reaction

Cong Fang, Jian Zhou, Lili Zhang, Wenchao Wan, Yuxiao Ding and Xiaoyan Sun

Nat Commun, 2023, 14
DOI: 10.1038/s41467-023-40177-1

Minireview and Perspectives of Bimetallic Metal–Organic Framework Electrocatalysts for Carbon Dioxide Reduction

Yuhang Jiang, Yating Wang, Rongzhen Chen, Yuhang Li and Chunzhong Li

Energy Fuels, 2023, 37, 17951
DOI: 10.1021/acs.energyfuels.3c01657

Theoretical Insight on Why N-Vacancy Promotes the Selective Co2 Reduction to Ethanol on Nimn Doped Graphitic Carbon Nitride Sheets

Thantip Roongcharoen, Poobodin Mano, Thanadol Jitwatanasirikul, Pornsawan Sikam, Teera Butburee, Kaito Takahashi and supawadee namuangruk

SSRN Journal, 2022
DOI: 10.2139/ssrn.4066200

Regulation of the Coordination Structures of Transition Metals on Nitrogen-Doped Carbon Nanotubes for Electrochemical CO2 Reduction

Yongyong Cao, Yuxiao Meng, Yuting Wu, Zhangfeng Shen, Qineng Xia, Hong Huang, Jian-Ping Lang, Hongwei Gu, Yangang Wang and Xi Li

Inorg. Chem., 2022, 61, 18957
DOI: 10.1021/acs.inorgchem.2c03221

Cobalt single atom sites in carbon aerogels for ultrasensitive enzyme-free electrochemical detection of glucose

Yaya Song, Ting He, Yulin Zhang, Chunyang Yin, Yang Chen, Qiming Liu, Yi Zhang and Shaowei Chen

Journal of Electroanalytical Chemistry, 2022, 906, 116024
DOI: 10.1016/j.jelechem.2022.116024

Metal-Nitrogen-doped carbon single-atom electrocatalysts for CO2 electroreduction

Liping Huang, Wenyao Li, Min Zeng, Guanjie He, Paul R. Shearing, Ivan P. Parkin and Dan J.L. Brett

Composites Part B: Engineering, 2021, 220, 108986
DOI: 10.1016/j.compositesb.2021.108986

Ultra‐low‐loaded Ni−Fe Dimer Anchored to Nitrogen/Oxygen Sites for Boosting Electroreduction of Carbon Dioxide

Qiufang Gong, Yajie Wang, Xiangzhong Ren, Chuanxin He, Jianhong Liu and Qianling Zhang

ChemSusChem, 2021, 14, 4499
DOI: 10.1002/cssc.202101302

Double Atom Catalysts: Heteronuclear Transition Metal Dimer Anchored on Nitrogen‐Doped Graphene as Superior Electrocatalyst for Nitrogen Reduction Reaction

Guokui Zheng, Lei Li, Shaoyun Hao, Xingwang Zhang, Ziqi Tian and Liang Chen

Advcd Theory and Sims, 2020, 3
DOI: 10.1002/adts.202000190

Recent Progress of Diatomic Catalysts: General Design Fundamentals and Diversified Catalytic Applications

Yifan Hu, Zesheng Li, Bolin Li and Changlin Yu

Small, 2022, 18
DOI: 10.1002/smll.202203589

Importance of d-electron coupling in dual-atom catalysts for electrocatalytic CO2 reduction reaction

Bin Li, Ya Ren, Haiyan Wang, Chun Zhu, Jin-Xia Liang and Jun Li

Sci. China Mater., 2025, 68, 1918
DOI: 10.1007/s40843-025-3362-8

Effective Screening Route for Highly Active and Selective Metal−Nitrogen‐Doped Carbon Catalysts in CO2 Electrochemical Reduction

Byoung Joon Park, Ying Wang, Yechan Lee, Kyung‐Jong Noh, Ara Cho, Myeong Gon Jang, Rui Huang, Kug‐Seung Lee and Jeong Woo Han

Small, 2021, 17
DOI: 10.1002/smll.202103705

Advances in Naked Metal Clusters for Catalysis

Zhixun Luo and Aamir Shehzad

ChemPhysChem, 2024, 25
DOI: 10.1002/cphc.202300715

Design of Single Atom Transition Metal‐Doped and N/P/S‐Modified Graphene TM‐N3S‐PC Catalysts for Efficient CO2 Electrocatalytic Reduction: A DFT Study

MeiJie Jiang, XiaoJuan Liang, YaQiong Guo, JianXiong Wang, XiangYang Liu, JiaJia Yang, DongHui Xu, LaiCai Li and LiuXia Liu

Int J of Quantum Chemistry, 2026, 126
DOI: 10.1002/qua.70137

Towards superior CO2RR catalysts: Deciphering the selectivity puzzle over dual-atom catalyst

Jia Zhao and Sen Lin

Journal of Colloid and Interface Science, 2025, 680, 257
DOI: 10.1016/j.jcis.2024.11.080

Proximity effects in graphene-supported single-atom catalysts for hydrogen evolution reaction

Weijie Lin, Wen-Jin Yin and Bo Wen

The Journal of Chemical Physics, 2023, 159
DOI: 10.1063/5.0165695

High-Throughput Screening of Nitrogen-Coordinated Bimetal Catalysts for Multielectron Reduction of CO2 to CH4 with High Selectivity and Low Limiting Potential

Shuo Wang, Lei Li, Jing Li, Chengzong Yuan, Yao Kang, Kwan San Hui, Jintao Zhang, Feng Bin, Xi Fan, Fuming Chen and Kwun Nam Hui

J. Phys. Chem. C, 2021, 125, 7155
DOI: 10.1021/acs.jpcc.0c10802

Potential-dependent activities in interpreting the reaction mechanism of dual-metal atom catalysts for Li-CO2 batteries

Xiaolin Liu, Mengjun Zhou, Xiaobin Liao and Yan Zhao

Journal of Colloid and Interface Science, 2024, 666, 276
DOI: 10.1016/j.jcis.2024.04.022

Dynamic CO2 Adsorption Reconfiguration Directs Product Branching on Heterogeneous Dual-Atom Catalysts

Tianyang Liu, Zeyu Yang, Zifan Wang, Tianze Xu, Tianchun Li and Yu Jing

ACS Catal., 2025, 15, 8479
DOI: 10.1021/acscatal.5c01159

Recent process in developing advanced heterogeneous diatomic-site metal catalysts for electrochemical CO2 reduction

Xueyang Zhao, Bangwei Deng, Hongtao Xie, Yizhao Li, Qingqing Ye and Fan Dong

Chinese Chemical Letters, 2024, 35, 109139
DOI: 10.1016/j.cclet.2023.109139

Emerging bimetallic metal-organic frameworks for photocatalytic carbon dioxide reduction

Zihe Chen, Yin Xiao, Xin Liu, Hao Lu, Xusheng Wang, Guixiang Ding, Zhaoqiang Wang, Peng Wang, Guangfu Liao and Lihui Chen

Coordination Chemistry Reviews, 2026, 556, 217704
DOI: 10.1016/j.ccr.2026.217704

Atomically dispersed non-noble Cu dimer anchored on a novel graphitic carbon nitride as a promising catalyst for the conversion of CO to CH2CH2

Yanan Meng, Shi-Bo Cheng and Zhijian Wu

Applied Surface Science, 2022, 597, 153761
DOI: 10.1016/j.apsusc.2022.153761

Transforming Adsorbate Surface Dynamics in Aqueous Electrocatalysis: Pathways to Unconstrained Performance

Viet‐Hung Do and Jong‐Min Lee

Advanced Materials, 2025, 37
DOI: 10.1002/adma.202417516

Atomically Dispersed Dual‐Metal Site Catalysts for Enhanced CO2 Reduction: Mechanistic Insight into Active Site Structures

Yi Li, Weitao Shan, Michael J. Zachman, Maoyu Wang, Sooyeon Hwang, Hassina Tabassum, Juan Yang, Xiaoxuan Yang, Stavros Karakalos, Zhenxing Feng, Guofeng Wang and Gang Wu

Angewandte Chemie, 2022, 134
DOI: 10.1002/ange.202205632

Hydroxyl group modification improves the selectivity of metal single atom on poly(heptazine imide) for electrocatalytic acetylene semi-hydrogenation

Xiaoxiao Chen, Yi Li, Yaofeng Yuan and Wei Lin

Applied Surface Science, 2024, 678, 161075
DOI: 10.1016/j.apsusc.2024.161075

Tuning precise numbers of supported nickel clusters on graphdiyne for efficient CO2 electroreduction toward various multi-carbon products

Meiqi Yang, Zhongxu Wang, Dongxu Jiao, Yu Tian, Yongchen Shang, Lichang Yin, Qinghai Cai and Jingxiang Zhao

Journal of Energy Chemistry, 2022, 69, 456
DOI: 10.1016/j.jechem.2022.01.023

Can Metal–Nitrogen–Carbon Single-Atom Catalysts Boost the Electroreduction of Carbon Monoxide?

Tianyang Liu, Yu Wang and Yafei Li

JACS Au, 2023, 3, 943
DOI: 10.1021/jacsau.3c00026

Single‐atom catalysts for the electrochemical reduction of carbon dioxide into hydrocarbons and oxygenates

Karl Adrian Gandionco, Juwon Kim, Lieven Bekaert, Annick Hubin and Jongwoo Lim

Carbon Energy, 2024, 6
DOI: 10.1002/cey2.410

Activity evaluation and reaction mechanisms of highly efficient dual-atom transition metal catalysts in Li-CO2 batteries

Jinhui Zhang, Yao Liu, Tengwen Yan, Guanghui Jin, Yajing Shen, Jing Xu and Dashuai Wang

Next Materials, 2025, 6, 100334
DOI: 10.1016/j.nxmate.2024.100334