Single-atom and cluster catalysts for thermocatalytic ammonia synthesis at mild conditions

Xuanbei Peng, Mingyuan Zhang, Tianhua Zhang, Yanliang Zhou, Jun Ni, Xiuyun Wang and Lilong Jiang

Chem. Sci., 2024, 15, 5897
DOI: 10.1039/D3SC06998B

Reduction of dinitrogen to ammonia on doped three‐atom clusters Nb2M (M = Sc to Cu & Y to Ag)

Ran Cheng, Chao‐Nan Cui and Zhi‐Xun Luo

Rare Metals, 2024, 43, 3810
DOI: 10.1007/s12598-024-02680-2

Unveiling the in-situ formation of single-atomically dispersed Pd-Fe bimetallic catalytic sites during anisole hydrodeoxygenation

Shuya Zhang, Xiaochen Liu, Hongqiao Lin, Rong Chen, Yu Chen, Yuanjie Xu, Kaiyang Xu, Huibo Zhao, Li Tan, Lizhi Wu and Yu Tang

Molecular Catalysis, 2023, 547, 113401
DOI: 10.1016/j.mcat.2023.113401

Ru3@Mo2CO2 MXene single-cluster catalyst for highly efficient N2-to-NH3 conversion

Cong Zhang, Ze-Hui Wang, Haiyan Wang, Jin-Xia Liang, Chun Zhu and Jun Li

National Science Review, 2024, 11
DOI: 10.1093/nsr/nwae251

A new type of catalysts: catalysts of singly dispersed bimetallic sites

Franklin Tao and Yuting Li

Trends in Chemistry, 2023, 5, 486
DOI: 10.1016/j.trechm.2023.03.006

The active site of Mδ+ tailed by B (or N)-doped graphyne for nitrogen reduction reaction through DFT study

Yuzhen Fang, Lin Teng, Weihong Li, Hailun Ren, Dongting Wang, Suhong Lu and Pengpeng Hao

Molecular Catalysis, 2024, 569, 114576
DOI: 10.1016/j.mcat.2024.114576

Dinitrogen Activation by Heteronuclear Metal Carbide Cluster Anions Y1‐3CoC1,2−: An Experimental and DFT Study

Meng‐Meng Wang, Ming Wang, Zhi‐Wen Ji, Xiao‐Meng Huang, Han‐Bin He, Xun‐Lei Ding and Jia‐Bi Ma

ChemCatChem, 2024, 16
DOI: 10.1002/cctc.202300978

Recent advances of single-atom catalysts in the selective catalytic reduction of NO by CO

Liu Yang, Jing Li and Baodan Liu

Chem. Synth., 2025, 5
DOI: 10.20517/cs.2025.10

Harnessing the Potential of MXenes for Electrochemical Nitrogen and Carbon Dioxide Reduction Reactions: Recent Advances Based on First-Principles Simulations

Romana Khanam, Mudasir Dar, Malik Wahid, Gulzar A. Bhat and Manzoor Ahmad Dar

ACS Appl. Nano Mater., 2026, 9, 3552
DOI: 10.1021/acsanm.6c00292

Computational design of catalysts for ammonia synthesis

Yining Zhang, Sha Li, Wei Zheng and Xi Wang

Nano Research Energy, 2023, 2, e9120068
DOI: 10.26599/NRE.2023.9120068

Strategies of modulating the microenvironment of catalytic sites for enhanced C–C coupling in photo–/electro–catalytic CO2 reduction

Huanhuan Liu, Kangjie Gao, Aolin Hua, Lei Li, Chao Cheng and Yong Hu

Coordination Chemistry Reviews, 2026, 546, 217064
DOI: 10.1016/j.ccr.2025.217064

Defective g-C3N4 supported Ru3 single-cluster catalyst for ammonia synthesis through parallel reaction pathways

Yining Zhang, Sha Li, Chao Sun, Xiaorou Cao, Xi Wang and Jiannian Yao

Nano Res., 2023, 16, 3580
DOI: 10.1007/s12274-022-4865-6

Application of oxygen vacancy defects in enhanced anti-cancer nanomedicine

Yuan Gao, Shuangqing Liu, Hui Liu, Haiyan Ge, Meng Zhang, Chunyu Zhao, Yufang Gong, Xinyu Zhang, Chao Wang, Xiao Sun and Zhengyan Wu

Sci. China Chem., 2023, 66, 2492
DOI: 10.1007/s11426-023-1693-8

Multi‐Atom Catalysts: Structural Design, Electronic Modulation, and Synergistic Catalysis

Gege Yang, Hairui Cai, Zhimao Yang, Bin Wang, Chao Liang and Shengchun Yang

Small Methods, 2026, 10
DOI: 10.1002/smtd.202502368

Superior reactivity of heterogeneous single-cluster catalysts for semi-hydrogenation of acetylene

Shu Zhao, Yan Tang, Xiaohu Yu and Jun Li

Sci. China Mater., 2023, 66, 3912
DOI: 10.1007/s40843-023-2558-7

Bimetallic Sites for Catalysis: From Binuclear Metal Sites to Bimetallic Nanoclusters and Nanoparticles

Lichen Liu and Avelino Corma

Chem. Rev., 2023, 123, 4855
DOI: 10.1021/acs.chemrev.2c00733

Bimetallic single-cluster catalysts anchored on graphdiyne for alkaline hydrogen evolution reaction

Bin Chen, Ya-Fei Jiang, Hai Xiao and Jun Li

Chinese Journal of Catalysis, 2023, 50, 306
DOI: 10.1016/S1872-2067(23)64459-6

Theoretical Design and Screening of Bimetal-Doped Graphite Nitride Electrocatalysts for Nitrogen Reduction Reaction

Hongyun Cui, Shilong Li, Jirui Du, Haohao Wang, Ning Ma, Min Pu and Ming Lei

Chem. Mater., 2025, 37, 3392
DOI: 10.1021/acs.chemmater.5c00207

Breaking Continuously Packed Bimetallic Sites to Singly Dispersed on Nonmetallic Support for Efficient Hydrogen Production

Tao Jiang, Yuting Li, Yu Tang, Shiran Zhang, Duy Le, Talat S. Rahman and Franklin Tao

ACS Appl. Mater. Interfaces, 2024, 16, 21757
DOI: 10.1021/acsami.3c18160

Theoretical screening of single-atom electrocatalysts of MXene-supported 3d-metals for efficient nitrogen reduction

Jin-Nian Hu, Ling-Chan Tian, Haiyan Wang, Yang Meng, Jin-Xia Liang, Chun Zhu and Jun Li

Chinese Journal of Catalysis, 2023, 52, 252
DOI: 10.1016/S1872-2067(23)64501-2