Unique NiCo bimetal boosting 98% CH4 selectivity and high catalysis stability for photothermal CO2 hydrogenation

Yubin Zheng, Zhe Lu, Zhisheng Shi, Lu Wang, Shuyuan Yang, Runzhi Cao, Gao Wa, Xin Zhou, Yong Yang, Chong Sheng, Yong Zhou and Zhigang Zou

Nanoscale, 2025, 17, 5770
DOI: 10.1039/D4NR05471G

Nanocluster catalysts for the electrochemical conversion of carbon dioxide

Devina Thasia Wijaya, Annisa Luthfiah and Chan Woo Lee

Sustainable Energy Fuels, 2024, 8, 3829
DOI: 10.1039/D4SE00533C

Theoretical investigation on the reaction mechanism of photocatalytic CO2 reduction over NaTaO3 modified with metal cocatalysts (Ru, Rh, and Ag)

Chunyu Jin, Linlin Wang, Hao Dong and Xin Zhou

Catal. Sci. Technol., 2025, 15, 3288
DOI: 10.1039/D5CY00132C

Fabrication of a hollow-shaped CuO nanoparticle assembly using a sacrificial W18O49 template for C2+-product-selective electrochemical CO2 reduction

Shan Wang, Chen Yang, Feng Chen, Lin-Jun Zhu, Wen-Wen Wang, Qi Hong and Teng Zhang

Dalton Trans., 2026, 55, 4509
DOI: 10.1039/D5DT03033A

Single-Atom Catalysts Dispersed on Graphitic Carbon Nitride (g-CN): Eley–Rideal-Driven CO-to-Ethanol Conversion

Jing Wang, Qiuli Song, Yongchen Shang, Yuejie Liu and Jingxiang Zhao

Nanomaterials, 2025, 15, 1111
DOI: 10.3390/nano15141111

Controlled C-C coupling of CO on borophene as a non-metallic catalyst: A DFT study on solvent water effects

Pengfei Liu, Wanfei Hu, Xing Gao, Tiantian Liu and Junying Zhang

Vacuum, 2025, 241, 114702
DOI: 10.1016/j.vacuum.2025.114702

Embedded nickel-metallofullerenes (Nin@C60) as an effective catalyst for controlled C-C coupling of CO

Pengfei Liu, Mingqian Wang, Wanfei Hu, Xiaoying Feng, Xing Gao, Wei Qian, Qiang Wang and Junying Zhang

Molecular Catalysis, 2025, 583, 115242
DOI: 10.1016/j.mcat.2025.115242

Mn-Doped β-antimonene for highly efficient CO electroreduction to ethanol: a computational study

Qiuli Song, Jing Wang, Zaifeng Shi and Jingxiang Zhao

Surfaces and Interfaces, 2026, 87, 108938
DOI: 10.1016/j.surfin.2026.108938

An Overview of Carbon Dioxide Photo/Electrocatalyzed by Titanium Dioxide Catalyst

Jiaman Wang, Jing Xiong, Hao Guo and Yuechang Wei

ChemCatChem, 2024, 16
DOI: 10.1002/cctc.202400707

Engineering d-band structure of Zn-doped CuO H for boosting CO2 electroreduction performance

Xue Bai, Tianmi Tang, Jingru Sun, Fuquan Bai, Jing Hu and Jingqi Guan

Chinese Journal of Catalysis, 2026, 80, 248
DOI: 10.1016/S1872-2067(25)64878-9

Important structural parameter for curvature effect of TM-N4 embeded C70 fullerenes as electrocatalysts for CO2 reduction interpreted with machine learning and first-principles calculations

Aling Ma, Zongpeng Ding, YuShan Pang, Guohong Fan and Hong Xu

Surfaces and Interfaces, 2024, 54, 105233
DOI: 10.1016/j.surfin.2024.105233

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
DOI: 10.1016/j.surfin.2024.105555

Machine-Learning assisted screening of double metal catalysts for CO2 electroreduction to CH4

Zixuan Wu, Jiaxiang Liu, Bofang Mu, Xiaoxiang Xu, Wenchao Sheng, Wenquan Tao and Zhuo Li

Applied Surface Science, 2024, 648, 159027
DOI: 10.1016/j.apsusc.2023.159027

A DFT and microkinetic modeling study of pressure effects on electroreduction reduction of CO2 to ethanol

Xiaowen Wang, Fei Ma, Haiqiao Wei, Jiaying Pan, Wenjia Li, Jun Zhao and Xiaotao Yang

Applied Surface Science, 2025, 681, 161421
DOI: 10.1016/j.apsusc.2024.161421

Simulated design of Cu2N/BiOCl for selective synthesis of C2 alcohol products in photocatalytic reduction of CO2 via nitrogen vacancy on modified square copper sites

Zigeng Wang, Manman Mu, Fahim A. Qaraah, Guoyi Bai and Xiaohong Yin

Computational Materials Science, 2025, 253, 113839
DOI: 10.1016/j.commatsci.2025.113839

Theoretical insights into the bipyridine-coordinated single atom catalysis on MoS2 for CO2 reduction reaction

Junlin Ye, Yuehua Kong and Wei Lin

Applied Surface Science, 2026, 720, 165251
DOI: 10.1016/j.apsusc.2025.165251

p-Block Single-Atom Anchored MoS2 Monolayer for Efficient Electroreduction of CO2 to Formate via Strong p–sp Interaction

Hong-Da Ren, Zhong-Ling Lang, Hua-Qiao Tan, Yong-Hui Wang and Yang-Guang Li

J. Phys. Chem. C, 2024, 128, 6702
DOI: 10.1021/acs.jpcc.4c00580