Direct coupling of two inert CO2 molecules to form a C–C bond on the Cu0 atomic interfaces of the nitrogen-doped graphene-supported Cu4 cluster

Xin-Jia Cui, Yong-Qing Qiu, Hong-Qiang Wang and Chun-Guang Liu

Inorg. Chem. Front., 2024, 11, 85
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Selecting dual atomic clusters supported on two-dimensional biphenylene with significantly optimized capability to reduce carbon monoxide

Zhongwei Wang, Zhili Yin, Yan Gao, Haifeng Wang, Junfeng Gao and Jijun Zhao

J. Mater. Chem. A, 2024, 12, 2748
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Metal-free B4@g-C3N4: a potential electrocatalyst for highly selective and efficient conversion of CO to ethanol

Zhichao Hao, Li-Juan Ma, Jianfeng Jia and Hai-Shun Wu

J. Mater. Chem. A, 2023, 11, 18365
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Rational design of metal node-modified Ti-based MOFs for selective photoreduction of carbon dioxide to ethanol by computational screening

Shuang Wang, Xiaowa Nie, Chunshan Song and Xinwen Guo

J. Mater. Chem. A, 2025, 13, 28160
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Computational design of bimetallic TM2@g-C9N4 electrocatalysts for enhanced CO reduction toward C2 products

Jiajun Wang, Guolin Yi, Shengling Guo, Jianing Wang, Shujuan Li, Ke Xu, Weiyi Wang and Shulai Lei

Chinese Chemical Letters, 2024, 35, 109050
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Supported Cu3 cluster on N-doped graphene: An efficient triatom catalyst for CO electroreduction to propanol at low potential

Li-Juan Ma, Wenlu Zhang, Jianfeng Wang, Jianfeng Jia and Hai-Shun Wu

Journal of Colloid and Interface Science, 2025, 678, 1239
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Structure of Cu, Ni, and CuNi Bimetallic Small Clusters Incorporated in g-C3N4: A DFT Study

Agnieszka Drzewiecka-Matuszek, Priti Sharma and Dorota Rutkowska-Zbik

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Coordination-Tuned Cu single-Atom Catalyst for Efficient CO2 Electroreduction to C1 Products

Hui Li, Jing Zhang, Xindi Cao, Zhonglin Bi, Han Dai and Junfeng Zhao

Catal Lett, 2025, 155
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Computational Design of a Two-Dimensional Copper Carbide Monolayer as a Highly Efficient Catalyst for Carbon Monoxide Electroreduction to Ethanol

Yuchen Xiang, Yuting Sun, Yu Liu, Yuejie Liu and Jingxiang Zhao

ACS Appl. Mater. Interfaces, 2023, 15, 13033
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Applying machine-learning screening of single transition metal atoms anchored on N-doped γ-graphyne for carbon monoxide electroreduction toward C1 products

Dongxu Jiao, Dantong Zhang, Dewen Wang, Jinchang Fan, Xingcheng Ma, Jingxiang Zhao, Weitao Zheng and Xiaoqiang Cui

Nano Res., 2023, 16, 11511
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A low-nuclear Ag4 nanocluster as a customized catalyst for the cyclization of propargylamine with CO2

Lin Li, Ying Lv, Hongting Sheng, Yonglei Du, Haifeng Li, Yapei Yun, Ziyi Zhang, Haizhu Yu and Manzhou Zhu

Nat Commun, 2023, 14
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Mo doped Ru-based cluster to promote alkaline hydrogen evolution with ultra-low Ru loading

Haibin Yang, Duowen Ma, Yang Li, Qinghe Zhao, Feng Pan, Shisheng Zheng and Zirui Lou

Chinese Journal of Structural Chemistry, 2023, 42, 100031
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Computational screening of single-cluster catalysts anchored on g-C3N4 for nitroreduction of 3-nitro-1,2,4-trizole-5-one (NTO)

Ziyang Guo, Liyuan Qin, Shuai Zhao, Yansong Shi, Xijuan Lv, Wei Guo and Qinghai Shu

Surfaces and Interfaces, 2025, 56, 105555
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Spillover Promoted Dual CO2 Reduction to Ethanol via Low C–C Coupling Barrier on Co-Embedded γ-Graphyne with d−π Orbital Centers

Poobodin Mano, Kaito Takahashi, Chularat Wattanakit and Supawadee Namuangruk

ACS Appl. Energy Mater., 2025, 8, 1060
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Size−selected Cu4 cluster anchored on C2N monolayer for efficient nitrite electroreduction to ammonia: a computational study

Meiqi Yang, Zhongxu Wang, Yuejie Liu, Qinghai Cai and Jingxiang Zhao

Applied Surface Science, 2023, 620, 156825
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Efficient carbon monoxide electroreduction on two-dimensional transition metal phosphides: A computational study

Shangqi Zhou, Zhongxu Wang, Zhifeng Zhao, Zhanhua Su, Qinghai Cai and Jingxiang Zhao

Applied Surface Science, 2023, 613, 156025
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Atomically Dispersed Gold Nanoclusters and Single Atoms Coexisting Chiral Electrode for High‐Performance Enantioselective Electrosynthesis using H2o as Hydrogen Source

Wen Chang, Bo Qi, Ruoyu Wang, Huijie Liu, Guangbo Chen, Guicong Hu, Zixian Li, Jie Sun, Yung‐Kang Peng, Guangchao Li, Xianggui Kong, Yu‐Fei Song and Yufei Zhao

Adv Funct Materials, 2024, 34
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Theoretical prediction on stability, electronic and activity properties of single-atom catalysts anchored graphene and boron phosphide heterostructures

Yanan Tang, Weiguang Chen, Mingyu Zhao, Jinlei Shi, Yingqi Cui, Zhaohan Li, Zhiwen Wang, Zhen Feng and Xianqi Dai

Fuel, 2023, 332, 126213
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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
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Rational design of trimetallic single-cluster catalysts for efficient electrocatalytic reduction of CO2

Haoyu Wang, Riming Hu, Ruochen Zhu, Xinyuan Yang, Shuaijun Yang, Yong Nie, Jiayuan Yu and Xuchuan Jiang

Applied Surface Science, 2025, 692, 162672
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Exploring the catalytic properties of Ti2CO2 MXene decorated with Cu-cluster for Hydrogen evolution reaction

Sai Raj Ali, C.S. Praveen, Sung Gu Kang, Lekha Nair, K.C. Bhamu and Praveen Kumar

Applied Surface Science, 2023, 641, 158439
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Metal and metal oxide sub nano cluster; emerging aspirant for catalytic applications

Surbhi Sharma and Anam Ansari

Results in Chemistry, 2023, 5, 100982
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Heterogeneous N-heterocyclic carbenes: Efficient and selective metal-free electrocatalysts for CO reduction to multi-carbon products

Wei Liu, Yunhao Xie, Zan Tong, Jingchao Sun, Liang Chen and Jing Xu

Journal of CO2 Utilization, 2023, 75, 102566
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CO 2 Electrochemical reduction on the two dimensional transition metal coordinated by 2,3,6,7,10,11-triphenylenehexathiol and 2,3,6,7,10,11-triphenylenehexamine, a computational survey

Haoyan Zhang, Lin Cheng, Kai Li, Ying Wang and Zhijian Wu

Molecular Physics, 2024, 122
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Exact solutions of reversible dimerization and trimerization kinetics

Alejandro Pérez Paz

ChemTexts, 2024, 10
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