Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water

Cheng, Tao, Xiao, Hai, Goddard, William A.·2016·Journal of the American Chemical Society

Cited by (453)

Items 201–300 of 453

  1. Insights into the roles of water on the aqueous phase reforming of glycerol
    Tianjun Xie, Cameron J. Bodenschatz, Rachel B. Getman · 2018 · Reaction Chemistry & Engineering
  2. Initial Steps in Forming the Electrode–Electrolyte Interface: H2O Adsorption and Complex Formation on the Ag(111) Surface from Combining Quantum Mechanics Calculations and Ambient Pressure X-ray Photoelectron Spectroscopy
    Jin Qian, Yifan Ye, Hao Yang, Junko Yano, Ethan J. Crumlin, William A. Goddard · 2019 · Journal of the American Chemical Society
  3. Understanding How Atomic Sulfur Controls the Selectivity of the Electroreduction of CO 2 to Formic Acid on Metallic Cu Surfaces
    Dongyu Liu, Ya Liu, Mingtao Li · 2020 · The Journal of Physical Chemistry C
  4. Generalizable Trends in Electrochemical Protonation Barriers
    Anjli M. Patel, Sudarshan Vijay, Georg Kastlunger, Jens K. Nørskov, Karen Chan · 2021 · The Journal of Physical Chemistry Letters
  5. Revealing the Origin of Nitrogen Electroreduction Activity of Molybdenum Disulfide Supported Iron Atoms
    Ke Xie, Feiteng Wang, Fenfei Wei, Jia Yue Zhao, Sen Lin · 2022 · The Journal of Physical Chemistry C
  6. Practical principles of density functional theory for catalytic reaction simulations on metal surfaces – from theory to applications
    Nannan Shan, Mingxia Zhou, Mary K. Hanchett, Josephine Chen, Bin Liu · 2017 · Molecular Simulation
  7. Graphene-Supported Monometallic and Bimetallic Dimers for Electrochemical CO2 Reduction
    Haiying He, Christopher Morrissey, Larry A. Curtiss, Peter Zapol · 2018 · The Journal of Physical Chemistry C
  8. In-situ Spectroscopic Techniques as Critical Evaluation Tools for Electrochemical Carbon dioxide Reduction: A Mini Review
    Adarsh Koovakattil Surendran, Naveen Chandrasekaran, Vidhya Chakrapani · 2020 · Frontiers in Chemistry
  9. Copper sulfide derived nanoparticles supported on carbon for the electrochemical reduction of carbon dioxide
    Christina H. M. van Oversteeg, Marisol Tapia Rosales, Kristiaan H. Helfferich, Mahnaz Ghiasi, Johannes D. Meeldijk, Nienke J. Firet, Peter Ngene, Celso de Mello Donegá, Petra E. de Jongh · 2020 · Catalysis Today
  10. Deciphering electrochemical interactions in metal–polymer catalysts for CO 2 reduction
    Xingyu Wang, Sanjubala Sahoo, José A. Gascón, Mikhail A. Bragin, Fangyuan Liu, Julia Olchowski, Samuel Rothfarb, Yuankai Huang, Wenjun Xiang, Pu‐Xian Gao et al. · 2023 · Energy & Environmental Science
  11. Developing micro-kinetic model for electrocatalytic reduction of carbon dioxide on copper electrode
    Shi−Qin Xiang, Shuting Gao, Junlin Shi, Wei Zhang, Liu‐Bin Zhao · 2020 · Journal of Catalysis
  12. Theoretical Insights into Potential-Dependent C–C Bond Formation Mechanisms during CO 2 Electroreduction into C 2 Products on Cu(100) at Simulated Electrochemical Interfaces
    Lihui Ou, Zixi He, Hai Yang, Yuandao Chen · 2021 · ACS Omega
  13. Iron corrosion in the “inert” supercritical CO2, ab initio dynamics insights: How impurities matter
    Qin-Kun Li, Alex Kutana, Evgeni S. Penev, Boris I. Yakobson · 2022 · Matter
  14. CO2 Activation on Cobalt Surface in the Presence of H2O: An Ambient-Pressure X-ray Photoelectron Spectroscopy Study
    Qiang Liu, Yong Ha Han, Jun Cai, Ethan J. Crumlin, Yimin Li, Zhi Liu · 2018 · Catalysis Letters
  15. Fast Transformation of CO2 into CO Via a Hydrogen Bond Network on the Cu Electrocatalysts
    Huimin Yan, Zixuan Wang, Yamin Wang, Guang‐Jie Xia, Yang‐Gang Wang · 2022 · The Journal of Physical Chemistry C
  16. Mechanism of Water Dissociation with an Electric Field and a Graphene Oxide Catalyst in a Bipolar Membrane
    Zhen Wei Jiang, Peter P. Bazianos, Zhifei Wang Yan, Andrew M. Rappe · 2023 · ACS Catalysis
  17. Metal-organic double layer to stabilize selective multi-carbon electrosynthesis
    Jian Cheng, Ling Chen, Yanzhi Zhang, Min Wang, Zhangyi Zheng, Lin Jiang, Zhao Deng, Zhihe Wei, Mutian Ma, Likun Xiong et al. · 2025 · Nature Communications
  18. Nanoconfined Molecular Catalysts in Integrated Gas Diffusion Electrodes for High‐Current‐Density CO2 Electroreduction
    Xiangzhou Lv, Qian Liu, Hao Yang, Jianghao Wang, Xiuju Wu, Xiaotong Li, Zhifu Qi, Jianhua Yan, Angjian Wu, Tao Cheng et al. · 2023 · Advanced Functional Materials
  19. –SR removal or –R removal? A mechanistic revisit on the puzzle of ligand etching of Au25(SR)18 nanoclusters during electrocatalysis
    Fang Sun, Lubing Qin, Zheng-Hua Tang, Guo-Cheng Deng, M. Bootharaju, Zi-Dong Wei, Qing-Qiong Tang, T. Hyeon · 2023 · Chemical Science
  20. New Mechanistic Insights into CO 2 /CO Electroreduction to Acetate by Combining Computations and Experiments
    Xiaowan Bai, Ming Sheng He, Yifei Xu, Bingjun Xu, Qi Lu, Jinlan Wang, Chongyi Ling · 2024 · ACS Catalysis
  21. Combining Nickel- and Zinc-Porphyrin Sites via Covalent Organic Frameworks for Electrochemical CO 2 Reduction
    Hugo Veldhuizen, Maryam Abdinejad, Pieter J. Gilissen, Jelco Albertsma, Thomas Burdyny, Frans D. Tichelaar, Sybrand van der Zwaag, Monique Ann van der Veen · 2024 · ACS Applied Materials & Interfaces
  22. Electrocatalytic Synthesis of Urea: An In‐depth Investigation from Material Modification to Mechanism Analysis
    Jianghui Cao, Fang Zhao, Chengjie Li, Qidong Zhao, Liguo Gao, Tingli Ma, Hao Xu, Xuefeng Ren, Anmin Liu · 2024 · Small
  23. Design of CuInS2 hollow nanostructures toward CO2 electroreduction
    Chaohua He, Sijia Chen, Ran Long, Li Song, Yujie Xiong · 2020 · Science China Chemistry
  24. CO2 activation at Au(110)–water interfaces: An ab initio molecular dynamics study
    Xueping Qin, Tejs Vegge, Heine Anton Hansen · 2021 · The Journal of Chemical Physics
  25. Visualization of catalytic edge reactivity in electrochemical CO2 reduction on porous Zn electrode
    Masayuki Morimoto, Yoshiyuki Takatsuji, Kaito Hirata, Takeshi Fukuma, Teruhisa Ohno, Tatsuya Sakakura, Tetsuya Haruyama · 2018 · Electrochimica Acta
  26. Mechanistic Insights and Advances in Electrode/Electrolyte Interfaces for Efficient Electrocatalytic CO 2 Reduction to C 2 Products
    Jie Chen, Yukun Xiao, Yumin Da, Ganwen Chen, Yi‐Yang Sun, Lei Wang, Jia Zhang, Wei Chen · 2025 · SmartMat
  27. A mechanism review of metal phthalocyanines as single-atomic catalysts in electrochemical energy conversion
    Zikang Li, Ziqi Zhou, Mingzi Sun, Tong Wu, Qiuyang Lu, Lu Lu, Baian Chen, Cheuk Hei Chan, Hon Ho Wong, Bolong Huang · 2025 · Chemical Science
  28. Aluminum Metal–Organic Framework Triggers Carbon Dioxide Reduction Activity
    Michelle Lee, Alberto De Riccardis, Roman V. Kazantsev, Jason K. Cooper, Aya K. Buckley, Paul Burroughs, David M. Larson, Giuseppe Mele, Francesca Maria Toma · 2020 · ACS Applied Energy Materials
  29. Competing HCOOH and CO Pathways in CO2 Electroreduction at Copper Electrodes: Calculations of Voltage-Dependent Activation Energy
    Maxime Van den Bossche, Christoph G. Rose-Petruck, Hannes Jónsson · 2021 · The Journal of Physical Chemistry C
  30. Unveiling the mechanism of CO 2 electroreduction to C 1 and C 2 products of ordered double transition metal MXenes
    Romana Khanam, Syed Fozia, Manzoor Ahmad Dar · 2024 · Sustainable Energy & Fuels
  31. Locking interstitial hydrogen atoms in Pd metallenes for efficient oxygen reduction reaction
    Yu Qiu, Dongxu Jiao, Hong Huang, Jiandong Wu, Mingming Wang, Tianyi Gao, Xiao Dan Zhao, Xin Ge, Wei Zhang, Weitao Zheng et al. · 2025 · Nature Communications
  32. Electrocatalytic Activity of Oxygen-Functionalized Carbon Electrodes for Vanadium Redox Flow Batteries from Free-Energy Calculations
    Zhen Wei Jiang, Vitaly Alexandrov · 2020 · ACS Applied Energy Materials
  33. Theoretical study of single transition metal atom catalysts supported on two-dimensional Nb2NO2 for efficient electrochemical CO2 reduction to CH4
    Song Lu, Yang Zhang, Fengliu Lou, Zhixin Yu · 2022 · Journal of CO2 Utilization
  34. Electrochemical CO 2 reduction on Pd-based electrodes: from mechanism understanding to rational catalyst design
    Tian‐Wen Jiang, Kun Peng Jiang, Wen‐Bin Cai · 2024 · Journal of Materials Chemistry A
  35. Synergetic promotion by oxygen doping and Ca decoration on graphene for CO 2 selective adsorption
    Anqi Liu, Jun Long, Shandong Yuan, Wanglai Cen, Jianjun Li · 2019 · Physical Chemistry Chemical Physics
  36. Electron induction of atomically dispersed Fe sites by adjacent Te atoms promotes CO2 activation in electroreduction
    Yuan Pan, Chuhao Liu, Nannan Zhang, Min Li, Minmin Wang, Xuan Yang, Hsiao‐Chien Chen, Yanhui Zhang, Wei Hu, Wensheng Yan et al. · 2023 · Chem Catalysis
  37. Free energy landscape of electrocatalytic CO2 reduction to CO on aqueous FeN4 center embedded graphene studied by ab initio molecular dynamics simulations
    Tian Sheng, Shi‐Gang Sun · 2017 · Chemical Physics Letters
  38. Engineering Heterostructured Nanocatalysts for CO2 Transformation Reactions: Advances and Perspectives
    Yali Zheng, Haichao Liu, Ya‐Wen Zhang · 2020 · ChemSusChem
  39. Understanding the first activation step of electrochemical CO2 reduction over Ag and Ni-N-C active sites
    Yujie Wang, Jungho Kim, Hyun Dong Jung, Jun Liu, Ke Ye, Chuan Xia, Seoin Back, Kun Peng Jiang · 2024 · Nano Energy
  40. CO2 Adsorption and Reactivity on Rutile TiO2(110) in Water: An Ab Initio Molecular Dynamics Study
    Konstantin Klyukin, Vitaly Alexandrov · 2017 · The Journal of Physical Chemistry C
  41. The electronic structure underlying electrocatalysis of two‐dimensional materials
    Xunhua Zhao, Jianjian Shi, Yujin Ji, Yuanyue Liu · 2019 · Wiley Interdisciplinary Reviews Computational Molecular Science
  42. Uncovering the cation effects on the electroreduction of CO2 on Pd/C catalysts − an SEIRAS study
    Tian‐Wen Jiang, Shanshan Wang, Xianxian Qin, Weiyi Zhang, Hong Li, Xian‐Yin Ma, Kun Peng Jiang, Shouzhong Zou, Wen‐Bin Cai · 2024 · Journal of Catalysis
  43. Progress in regulating the electrocatalytic CO 2 reduction performance through the synergistic effect of Cu-based bimetallics
    Dandan Ma, Jiantao Chen, Zhejing Zhang, Jun Li, Jian‐Wen Shi · 2024 · Journal of Materials Chemistry A
  44. Engineering strategies in the rational design of Cu-based catalysts for electrochemical CO 2 reduction: from doping of elements to defect creation
    Sheraz Yousaf, Iqbal Ahmad, Muhammad Farooq Warsi, Asad Ali · 2024 · Materials Advances
  45. Triple-phase interfaces for electrochemical reduction of carbon dioxide
    Yihan Xu, Tianxiang Yan, Xiangrui Zhang, Wei Liu, Yichen Meng, Jianlong Lin, Zhaoli Gao, Thomas J. Meyer, Sheng Zhang, Xinbin Ma · 2026 · Chemical Society Reviews
  46. C 2 product formation in the CO 2 electroreduction on boron-doped graphene anchored copper clusters
    Balázs Barhács, Ewald Janssens, Tibor Höltzl · 2022 · Physical Chemistry Chemical Physics
  47. Prominent Electron Penetration through Ultrathin Graphene Layer from FeNi Alloy for Efficient Reduction of CO 2 to CO
    Qingyuan Bi, Xin Wang, Feng Gu, Xian‐Long Du, Hongliang Bao, Guoheng Yin, Jianjun Liu, Fuqiang Huang · 2017 · ChemSusChem
  48. Ultra-small Cu nanoparticles embedded in N-doped carbon arrays for electrocatalytic CO2 reduction reaction in dimethylformamide
    Xiaolong Zhang, Ying Zhang, Fengwang Li, Christopher D. Easton, Alan M. Bond, Jie Zhang · 2017 · Nano Research
  49. Polycarbazole and biomass-derived flexible nitrogen-doped porous carbon materials for gas adsorption and sensing
    Li Zhao, Peiwen Xiao, Qi Chen, Cheng Fei Fu, Bao‐Hang Han · 2020 · Journal of Materials Chemistry A
  50. Guiding the Catalytic Properties of Copper for Electrochemical CO2 Reduction by Metal Atom Decoration
    Yusaku F. Nishimura, Hong‐Jie Peng, Stephanie Anne Nitopi, Michal Bajdich, Lei Wang, Carlos G. Morales‐Guio, Frank Abild‐Pedersen, Thomas Francisco Jaramillo, Christopher Hahn · 2021 · ACS Applied Materials & Interfaces
  51. Asymmetric coordination engineering of active centers in MXene-based single atom catalysts for high-performance ECO2RR
    Shoufu Cao, Hongyu Chen, Xiaofei Wei, Jiao Li, Chunyu Yang, Zengxuan Chen, Shuxian Wei, Siyuan Liu, Zhaojie Wang, Xiaoqing Lü · 2024 · Carbon
  52. Competitive Carbonate Binding Hinders Electrochemical CO 2 Reduction to CO on Cu Surfaces at Low Overpotentials
    Jinhui Meng, Jessica G. Freeze, Linsey Nowack, Chaoyu Li, Hongsen Wang, Héctor D. Abruña, Adam P. Willard, Víctor S. Batista, Tianquan T. Lian · 2025 · Journal of the American Chemical Society
  53. Atomically dispersed Fe–TM pairs on g-C 6 N 6 : a comparative theoretical insight into heteronuclear dual-atom catalysts for N 2 reduction to form ammonia and urea
    Anjumun Rasool, Romana Khanam, Kubra Masood, Manzoor Ahmad Dar · 2026 · Journal of Materials Chemistry A
  54. Synergistic Effect of Metal Doping and Tethered Ligand Promoted High‐Selectivity Conversion of CO2 to C2 Oxygenates at Ultra‐Low Potential
    Xiaowan Bai, Li Shi, Qiang Li, Chongyi Ling, Yixin Ouyang, Shiyan Wang, Jinlan Wang · 2021 · Energy & environment materials
  55. Effects of surface diffusion in electrocatalytic CO2 reduction on Cu revealed by kinetic Monte Carlo simulations
    Jinghan Li, Ilaria Maresi, Yanwei Lum, Joel W. Ager · 2021 · The Journal of Chemical Physics
  56. Origin of the overpotentials for HCOO − and CO formation in the electroreduction of CO 2 on Cu(211): the reductive desorption processes decide
    Ling Liu, Chungen Liu · 2018 · Physical Chemistry Chemical Physics
  57. Mechanistic study on Cu-catalyzed CO 2 electroreduction into CH 4 at simulated low overpotentials based on an improved electrochemical model
    Lihui Ou, Junxiang Chen, Yuandao Chen, Jun‐Ling Jin · 2019 · Physical Chemistry Chemical Physics
  58. Nitrogen reduction reaction (NRR) modelling: A case that illustrates the challenges of DFT studies in electrocatalysis
    Luis Miguel Azofra · 2022 · Current Opinion in Electrochemistry
  59. N,S coordination in Ni single-atom catalyst promoting CO 2 RR towards HCOOH
    Zengxuan Chen, Shoufu Cao, Jiao Li, Chunyu Yang, Shuxian Wei, Siyuan Liu, Zhaojie Wang, Xiaoqing Lü · 2023 · Physical Chemistry Chemical Physics
  60. Two-Dimensional Fe-Hexaaminobenzene Metal–Organic Frameworks as Promising CO2 Catalysts with High Activity and Selectivity
    Mengyu Tang, Haoming Shen, Qiang Sun · 2019 · The Journal of Physical Chemistry C
  61. Recent advances of metal-organic frameworks and MOF-derived materials based on p-block metal for the electrochemical reduction of carbon dioxide
    Xinyu Wu, Jianfeng Lu, Zihao Zhu, Sui‐Jun Liu, He‐Rui Wen · 2024 · Chinese Chemical Letters
  62. Synergistic Effect of Coordination Fields and Hydrosolvents on the Single-Atom Catalytic Property in H2O2 Synthesis: A Density Functional Theory Study
    Wei Zhang, Fu-li Sun, Qiao-Jun Fang, Yifan Yu, Jin-kong Pan, Jianguo Wang, Gui‐Lin Zhuang · 2022 · The Journal of Physical Chemistry C
  63. Electrocatalytic CO2 and HCOOH interconversion on Pd-based catalysts
    Guiru Zhang, Xianxian Qin, Chengwei Deng, Wen‐Bin Cai, Kun Peng Jiang · 2022 · Advanced Sensor and Energy Materials
  64. Facet Engineering of Copper for Product Specific CO2 Electroreduction
    Shikha Dhakar, Sudhanshu Sharma · 2024 · The Journal of Physical Chemistry C
  65. A broad parameter range for selective methane production with bicarbonate solution in electrochemical CO 2 reduction
    Hiroshi Hashiba, Hiroki Sato, Satoshi Yotsuhashi, Katsushi Fujii, Masakazu Sugiyama, Yoshiaki Nakano · 2017 · Sustainable Energy & Fuels
  66. Exploring reaction mechanisms for CO 2 reduction on carbides
    Naveed Ashraf, Atef Iqbal, Younes Abghoui · 2024 · Journal of Materials Chemistry A
  67. Ion Solvation Free Energy Calculation Based on Ab Initio Molecular Dynamics Using a Hybrid Solvent Model
    Cong Xi, Fan Zheng, Guoping Gao, Zhigang Song, Buyu Zhang, Cunku Dong, Xi‐Wen Du, Lin‐Wang Wang · 2022 · Journal of Chemical Theory and Computation
  68. Electrochemical reduction of CO2 to liquid products: Factors influencing production and selectivity
    Rana Rashad Mahmood Khan, Ramsha Saleem, Syeda Satwat Batool, Shahzad Rasheed, Zohaib Saeed, Muhammad Ali Pervaiz, Umer Younas, Muhammad Summer, Maira Liaqat · 2025 · International Journal of Hydrogen Energy
  69. Quantum-continuum calculation of the surface states and electrical response of silicon in solution
    Quinn Campbell, Ismaïla Dabo · 2017 · Physical review. B./Physical review. B
  70. Predictions of Chemical Shifts for Reactive Intermediates in CO2 Reduction under Operando Conditions
    Hao Yang, Fabio Ribeiro Negreiros, Qintao Sun, Miao Xie, Luca Sementa, Mauro Stener, Yifan Ye, Alessandro Fortunelli, William A. Goddard, Tao Cheng · 2021 · ACS Applied Materials & Interfaces
  71. New Insights into the Electrochemical Nitrate Reduction Reaction on Cu(111) from Theoretical Calculations
    Adyasa Priyadarsini, Shyam P. Kattel · 2025 · The Journal of Physical Chemistry C
  72. Surface-Hydrogen Modulated Hydrogen Bond Network Steering Two-Electron Pathways in CO 2 Electroreduction on Cu Surface
    Zhichao Zhang, Xueping Qin, Feiyu Kang, Heine Anton Hansen, Jia Li · 2025 · ACS Catalysis
  73. Electrochemical reduction of CO2 to CO on bimetallic CoCu–N–C catalyst
    Shunan Yin, Jinxian Zhao, Shiping Wu, Xuhui Wang, Yanhong Quan, Jun Ren · 2022 · Journal of Cleaner Production
  74. Electroreduction of Carbon Dioxide into Selective Hydrocarbons at Low Overpotential Using Isomorphic Atomic Substitution in Copper Oxide
    Subramanian Nellaiappan, Ritesh Kumar, Chikkadasappa Shivakumara, Silvia Irusta, Jordan A. Hachtel, Juan Carlos Idrobo, Abhishek Kumar Singh, Chandra Sekhar Tiwary, Sudhanshu Sharma · 2019 · ACS Sustainable Chemistry & Engineering
  75. Phase and facet engineering for nanoscale catalyst discovery in electrochemical CO2 reduction
    Liangyiqun Xie, Yi Liu, Simin Li, Bo Shen, Wenlei Zhu · 2026 · Nature Synthesis
  76. Distribution of alkali cations near the Cu (111) surface in aqueous solution
    Cong Xi, Fan Zheng, Guoping Gao, Meng Ye, Cunku Dong, Xi‐Wen Du, Lin‐Wang Wang · 2020 · Journal of Materials Chemistry A
  77. Reveal the nature of particle size effect for CO2 reduction over Pd and Au
    Piaoping Yang, Lulu Li, Zhi‐Jian Zhao, Jinlong Gong · 2021 · CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION)
  78. Recent advances on enhancing the multicarbon selectivity of nanostructured Cu-based catalysts
    Kim Robert Gustavsen, Kaiying Wang · 2021 · Physical Chemistry Chemical Physics
  79. Heusler alloy catalysts for electrochemical CO2 reduction
    Ruikuan Xie, Zhufeng Hou, Guoliang Chai · 2022 · The Journal of Chemical Physics
  80. Bioinspired Hydrophobicity for Enhancing Electrochemical CO2 Reduction
    Jingwen Bai, Wenshuo Wang, Jian Liu · 2023 · Chemistry - A European Journal
  81. cAIMD Simulations Guided Design of Atomic Praseodymium Doping In–Bi Nanofibers for High‐Energy‐Efficiency CO 2 Electrolysis to Formate in Ultra‐Wide Potential Window
    Yumeng Li, Yingmin Jin, Xuebai Zhang, Mengyu Fu, Ruifan Lin, Guanshu Li, Yueping Xiong · 2024 · Advanced Functional Materials
  82. Lattice-dislocated bismuth nanowires formed by in-situ chemical etching on copper foam for enhanced electrocatalytic CO2 reduction
    Shuangchen Ma, Kai Wu, Shuaijun Fan, Pengwei Yang, Liutong Chen, Jingxiang Ma, Lijuan Yang, Hongtao Zhu, Xiaoying Ma · 2024 · Separation and Purification Technology
  83. First-Principles Insights into the Selectivity of CO2 Electroreduction over Heterogeneous Single-Atom Catalysts
    Tianyang Liu, Yu Jing, Yafei Li · 2024 · The Journal of Physical Chemistry Letters
  84. Time-Resolved Infrared Spectroscopic Evidence for Interfacial pH-Dependent Kinetics of Formate Evolution on Cu Electrodes
    Georgios Katsoukis, Hilbert C Heida, Merlin Gutgesell, Guido Mul · 2024 · ACS Catalysis
  85. Autonomous Exploitation of Reaction Pathways for Electrochemical C–N Coupling on Single-Atom Catalysts
    Junjie Pan, Haowen Ding, Xinzhe Yang, Xianhui Liang, Shanglin Wu, Mingzheng Zhang, Shunning Li, Shisheng Zheng, Feng Ming Pan · 2024 · ACS Catalysis
  86. Non-Nernstian Effects in Theoretical Electrocatalysis
    Dipam Manish Patel, Georg Kastlunger · 2025 · Chemical Reviews
  87. Effective CO Migration among Multiabsorbed Sites Achieves the Low-Barrier and High-Selective Conversion to C2 Products on the Ni2B5 Monolayer
    Changyan Zhu, Cong Wang, Min Zhang, Huimin Chen, Yun Geng, Zhong‐Min Su · 2021 · ACS Applied Materials & Interfaces
  88. Catalytic reduction of carbon dioxide over two-dimensional boron monolayer
    Chuangwei Liu, Tianyi Wang, Derek Hao, Qinye Li, Song Li, Chenghua Sun · 2021 · Journal of Material Science and Technology
  89. Selective electrochemical reduction of CO2 by a binder-free platinum/nitrogen-doped carbon nanofiber/copper foil catalyst with remarkable efficiency and reusability
    Hengpan Yang, Lin Qing, Hanwen Zhang, Yu Shiang Wu, Liangdong Fan, Xiaoyan Chai, Qianling Zhang, Jianhong Liu, Chuanxin He · 2018 · Electrochemistry Communications
  90. Fabrication of Ag2S electrode for CO2 reduction in organic media
    Feng-xia Shen, Jin Shi, Feng Shi, Tianyou Chen, Yunfei Li, Qingyuan Li, Yongnian Dai, Bin Yang, Tao Qu · 2018 · Ionics
  91. Catalytic decomposition of formic acid on Cu(100): Optimization and dynamic Monte Carlo simulation
    Marzieh Rafiee, Hadis Bashiri · 2020 · Catalysis Communications
  92. Activity Origin of Antimony Nanosheets toward Selective Electroreduction of CO2 to Formic Acid
    Ziqing Shui, Yu Wang, Yafei Li · 2022 · The Journal of Physical Chemistry C
  93. Competitive CO 2 Electrochemical Reduction and Hydrogen Evolution at Sn Electrode through Constant-Potential First-Principles Study and Microkinetic Modeling
    Wenyu Pang, Hai‐Yan Su, Zhisheng Mao, Yu Shao, Xianfeng Hao, Yongchao Jia, Yuanhui Xu, Keju Sun · 2025 · ACS Catalysis
  94. Potential-Dependent Competitive Electroreduction of CO2 into CO and Formate on Cu(111) from an Improved H Coverage-Dependent Electrochemical Model with Explicit Solvent Effect
    Lihui Ou, Zixi He · 2020 · ACS Omega
  95. Graphdiyne/copper sulfide heterostructure for active conversion of CO 2 to formic acid
    Shiyao Cao, Yurui Xue, Xi Chen, Chao Zhang, Yang Gao, Yuliang Li · 2023 · Materials Chemistry Frontiers
  96. Identification of CO2 as a Reactive Reagent for C–C Bond Formation via Copper-Catalyzed Electrochemical Reduction
    Wen‐Yu Lin, Zong‐Xian Chen, Haocheng Xiong, Hsien-Chin Li, Yeu‐Shiuan Ho, Chi-Tien Hsieh, Qi Lu, Mu‐Jeng Cheng · 2023 · ACS Catalysis
  97. Breaking the C C bond of glucose on tungsten oxide-based catalysts in aqueous phase
    Ying Qiao, Guang‐Jie Xia, Wei Cao, Ke-Han Zeng, Qianli Guo, Xiaofeng Yang, Aiqin Wang, Yang‐Gang Wang · 2023 · Journal of Catalysis
  98. Synthesis and Electrocatalytic Applications of Noble Metal Chalcogenides Nanomaterials
    Zhenya Hu, Li Huang, Lin Xu, Hui Liu, Shaonan Tian, Jun Yang · 2024 · ChemElectroChem
  99. Anionic Coordination Control in Building Cu‐Based Electrocatalytic Materials for CO2 Reduction Reaction
    Hanxia Chen, Pengpeng Mo, Junpeng Zhu, Xiaoxue Xu, Zhixiang Cheng, Yang Feng, Zhongfei Xu, Juzhe Liu, Lidong Wang · 2024 · Small
  100. Reaction mechanism and kinetics for carbon dioxide reduction on iron–nickel Bi-atom catalysts
    Fuhua Li, Huaqiang Wen, Qing Hua Tang · 2022 · Journal of Materials Chemistry A