Decoding pH-dependent electrocatalysis through electric field models and microkinetic volcanoes

Songbo Ye, Yuhang Wang, Heng Liu, Di Zhang, Xue Jia, Linda Zhang, Yizhou Zhang, Akichika Kumatani, Hitoshi Shiku and Hao Li

J. Mater. Chem. A, 2025, 13, 37821
DOI: 10.1039/D5TA06105A

Efficient photocatalytic nitrogen reduction by MoS2 doped with transition metal and containing sulfur vacancies: enhanced nitrogen activation and inhibition of water decomposition

Qiang Fu, Zhiling Huang, Zheming Ni and Shengjie Xia

J. Mater. Chem. A, 2025, 13, 18532
DOI: 10.1039/D5TA01298H

Surface coverage and reconstruction analyses bridge the correlation between structure and activity for electrocatalysis

Zhongyuan Guo, Tianyi Wang, Jiang Xu, Ang Cao and Hao Li

Chem. Commun., 2024, 60, 14346
DOI: 10.1039/D4CC03875D

Insight into the role of tunable nitrogen vacancies in transition metal nitrides for ammonia synthesis

Shiqi Yu, Ziyu Mei, Luyuan Wang, Yuping Ren, Wei Wu, Mao Liu, Tianyi Wang and Chuangwei Liu

Nanoscale, 2025, 17, 11426
DOI: 10.1039/D5NR00282F

Machine learning enabled exploration of multicomponent metal oxides for catalyzing oxygen reduction in alkaline media

Xue Jia and Hao Li

J. Mater. Chem. A, 2024, 12, 12487
DOI: 10.1039/D4TA01884B

Tuning the electrochemical stability of carbon based single-atom structures via doping: trade-off between electrosorption/leaching behavior

Xu Zhang, Lin Tao, Davoud Dastan, Hongwei Zhang and Baochang Gao

J. Mater. Chem. A, 2025, 13, 23715
DOI: 10.1039/D5TA03307A

Tuning the organic ligands to optimize the nitrogen reduction performance of Co(ii) or Ni(ii)-based MOFs

Ling Qin, Ying-Xin Zhao, Qiang Liu, Jin-Long An, Han-Xi Wang, Mao-Feng Zhang, Cheng-Wu Shi and He-Gen Zheng

Mater. Chem. Front., 2024, 8, 3203
DOI: 10.1039/D4QM00418C

Interfacial engineering for the construction of iron sulfide/boride nanosheets heterostructure bifunctional electrocatalysts for high-efficiency overall water splitting

Lu Yang, Jihui Lang, Wei Jiang, Yunchao Ma, Xianyu Chu, Tianyu Zhou, Bo Liu, Yuanyuan Wu, Chunbo Liu and Feifan Guo

Journal of Alloys and Compounds, 2024, 1006, 176344
DOI: 10.1016/j.jallcom.2024.176344

Advances in transition metal sulfides: Synthesis, properties, and modification strategies for electrocatalysis and energy conversion applications

Rui Wang, Xingqiao Deng, Bo Hu, Mule Vijayalakshmi, Hui Tang, Liang He, Xuemeng Liu, Ch. Venkata Reddy, Kakarla Raghava Reddy, Jaesool Shim and Tejraj M. Aminabhavi

Coordination Chemistry Reviews, 2026, 559, 217797
DOI: 10.1016/j.ccr.2026.217797

Closed-Loop Framework for Discovering Stable and Low-Cost Bifunctional Metal Oxide Catalysts for Efficient Electrocatalytic Water Splitting in Acid

Xue Jia, Zihan Zhou, Fangzhou Liu, Tianyi Wang, Yuhang Wang, Di Zhang, Heng Liu, Yong Wang, Songbo Ye, Koji Amezawa, Li Wei and Hao Li

J. Am. Chem. Soc., 2025, 147, 22642
DOI: 10.1021/jacs.5c04079

In situ nitridation of carbon-based Ni3N electrocatalysts for the hydrogen evolution reaction: Synthesis and mechanistic insights

Fangbo Yao, Zhengyang Fei, Ryuto Matsuo, Zhe Zhang and Chang Yi Kong

Journal of Power Sources, 2025, 660, 238488
DOI: 10.1016/j.jpowsour.2025.238488

Laser-Induced Pd-PdO/rGO Catalysts for Enhanced Electrocatalytic Conversion of Nitrate into Ammonia

James Ebenezer, Aneena Lal, Parthiban Velayudham, Arie Borenstein and Alex Schechter

ACS Appl. Mater. Interfaces, 2024, 16, 36433
DOI: 10.1021/acsami.4c06378

Defect-engineered Fe1−xS nanostructures for highly boosting electrocatalytic N2 fixation to NH3 under ambient conditions

Xiaoming Su, Xiaohai Zheng, Jinxing Mi, Ming Dai, Shasha Chen, Xuran Wang and Jiangpeng Wang

Journal of Environmental Chemical Engineering, 2026, 14, 122073
DOI: 10.1016/j.jece.2026.122073

Dual-atom catalysts anchored on janus MoSSe monolayers for nitrogen reduction reaction: A DFT study of synergistic effects and selectivity

Feifei Yu, Shuwen Xue and Xia Xiang

Molecular Catalysis, 2026, 591, 115698
DOI: 10.1016/j.mcat.2025.115698

Constructing interfacial polarization to improve electrocatalytic nitrogen reduction reactions in polyoxometalates-based metal-organic framework-derived Fe7S8-WS2-Co9S8 multi-phase heterostructures

Xinming Wang, Qiushuang Jiang, Mengle Yang, Huiyuan Ma and Haijun Pang

Journal of Alloys and Compounds, 2024, 1003, 175786
DOI: 10.1016/j.jallcom.2024.175786

Potential in “Imperfection”: From Precise Construction to Electrocatalytic Enhancement of Vacancy Engineering

Huimin Mao, Xiaobin Liu, Tong Cui, Siqi Wu, Yongming Chai, Jingqi Chi and Lei Wang

Advanced Materials, 2026, 38
DOI: 10.1002/adma.202512593

Chromium selenide hybridized with nitrogen-doped porous carbon for electrochemical reduction of nitrogen into ammonia

Jing Wang, Yuyan Zheng, Liyi Mai, Jing Chen, Hui Liufu, Ziyi Huang, Lin Ma, Yihan Gao, Liying Zhang, Ying Wang and Jinyi Sun

Inorganic Chemistry Communications, 2025, 182, 115496
DOI: 10.1016/j.inoche.2025.115496

Electrochemical CO2 Reduction on SnO: Insights into C1 Product Dynamic Distribution and Reaction Mechanisms

Zhongyuan Guo, Tianyi Wang, Heng Liu, Xue Jia, Di Zhang, Li Wei, Jiang Xu and Hao Li

ACS Catal., 2025, 15, 3173
DOI: 10.1021/acscatal.4c07987

Sc-Doped Sulfur Vacancy MoS2 Photocatalytic Nitrogen Reduction to Ammonia: Experimental and Theoretical Investigation

Lianyang Zhang, Zhiling Huang and Shengjie Xia

Inorg. Chem., 2025, 64, 15736
DOI: 10.1021/acs.inorgchem.5c02363

StableOx-Cat agent: an AI agent for exploring stable metal oxide electrocatalysts

Xue Jia, Di Zhang, Yiming Lu, Qian Wang and Hao Li

AI Agent, 2026, 2
DOI: 10.20517/aiagent.2026.03

Directional design of the pyridine ligand functional block fine-tuned hydrophobicity to improve the electrocatalytic nitrogen fixation performance of the Co/Ni based MOFs-derived materials

Ling Qin, Ying-Xin Zhao, Qiang Liu, Jin-Long An, Mao-Feng Zhang, Cheng-Wu Shi and He-Gen Zheng

International Journal of Hydrogen Energy, 2024, 65, 648
DOI: 10.1016/j.ijhydene.2024.04.042

One-step hydrothermal synthesis of oxygen vacancy-rich boron-added Cu2Mn3O8/CeS2 in-situ grown on nickel foam as an electrocatalyst for efficient nitrogen reduction

Abambagade Abera Mitiku, Merga Hailemariam Urgesa, Quoc-Nam Ha and Dong-Hau Kuo

Journal of Alloys and Compounds, 2025, 1022, 180006
DOI: 10.1016/j.jallcom.2025.180006

Ultra-thin bismuth nanosheets on copper foam enabling high-efficiency electrocatalytic nitrogen reduction for ammonia synthesis

Jianglin Tu, Jinwang Li, Zhefei Pan, Xun Zhu, Dingding Ye, Yang Yang, Hong Wang, Liang An, Rong Chen and Qiang Liao

Journal of Power Sources, 2024, 624, 235618
DOI: 10.1016/j.jpowsour.2024.235618

TiO2–Mo2C Heterostructure for Enhanced Electrocatalytic Nitrogen Reduction to Ammonia

Junmei Wang, Qingkun Tian, Li Chen, Maoyou Yang, Xia Zhang and Xiaodan Wang

ACS Omega, 2024, 9, 49945
DOI: 10.1021/acsomega.4c09193

A DFT Study: Single Transition Metal Atom Doped MoS2 as Efficient Electrocatalysts for the Nitrogen Reduction Reaction

Xiaoyu Luo, Yu Zhang, Xun Qi, Yanjing Wu, Yuhong Fan, Dan Su, Jie Wen, Arshid Mahmood Ali, Fangli Jing and Hui Zhang

ACS Appl. Nano Mater., 2025, 8, 10695
DOI: 10.1021/acsanm.5c01644