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Computational chemistry for water-splitting electrocatalysis

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Ni1−2xMoxSe nanowires@ammonium nickel phosphate–MoOx heterostructures as a high performance electrocatalyst for water splitting

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Advanced hydrogen evolution electrocatalysts promising sustainable hydrogen and chlor-alkali co-production

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Atomic Ru–Pt dual sites boost the mass activity and cycle life of alkaline hydrogen evolution

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Insights into alloy/oxide or hydroxide interfaces in Ni–Mo-based electrocatalysts for hydrogen evolution under alkaline conditions

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Exposed high-concentration Ir active sites and metal–support interaction endow Ir/MoO2-Mo2C hybrids with high atom utilization and stability for pH-universal hydrogen evolution reaction

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Electrochemical behavior of the flower shaped CoMn2O4 spinel structure assembled for effective HER from water splitting

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Advanced and Durable Self-Standing MoC-Mo2C Electrode for Alkaline Hydrogen Evolution in Chlor-alkali Electrolysis

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ACS Sustainable Chem. Eng., 2023, 11, 9470
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Rational Assembly of the NiMoP/NiCoZn Heterostructure Electrocatalyst for the Hydrogen Evolution Reaction at High Current Densities

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Advanced Ru/Ni/WC@NPC Multi‐Interfacial Electrocatalyst for Efficient Sustainable Hydrogen and Chlor‐Alkali Co‐Production

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Advanced Energy Materials, 2022, 12
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In Situ Reconstruction NiO Octahedral Active Sites for Promoting Electrocatalytic Oxygen Evolution of Nickel Phosphate

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Cu@S-Co(OH)2 hybrid electrocatalysts with high performance for alkaline hydrogen evolution reaction

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Boron leaching: Creating vacancy-rich Ni for enhanced hydrogen evolution

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Synthesis and nano-engineering of MXenes for energy conversion and storage applications: Recent advances and perspectives

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Dual active sites engineering of electrocatalysts for alkaline hydrogen evolution

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Fe dimers incorporated within Ni(OH)2 nanosheets to enable rapid oxygen radical coupling and exceptional durability in oxygen evolution

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Opposite Electron Transfer Induced High Valence Mo Sites for Boosting the Water Splitting Performance of Ir Atoms

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Engineering Mott–Schottky Heterojunction Auδ+/1T-MoS1.76 Electrocatalyst for Boosting Hydrogen Evolution Reaction

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Construction of heterophase MoOx/Ru assisted by self-assembled carboxymethylcellulose-Ru3+ nanosheet for improved alkaline hydrogen evolution

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Molybdenum and Phosphorous Dual‐Doped, Transition‐Metal‐Based, Free‐Standing Electrode for Overall Water Splitting

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ChemElectroChem, 2021, 8, 1612
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The contribution of water molecules to the hydrogen evolution reaction

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Interfacial electronic structure engineering on molybdenum sulfide for robust dual-pH hydrogen evolution

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Constructing Ni-VN interfaces with superior electrocatalytic activity for alkaline hydrogen evolution reaction

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Highly Selective Electroreduction of CO2 to CH4 on Cu–Pd Alloy Catalyst: the Role of Palladium‐Adsorbed Hydrogen Species and Blocking Effect

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Fabricating Lattice‐Confined Pt Single Atoms With High Electron‐Deficient State for Alkali Hydrogen Evolution Under Industrial‐Current Density

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Iridium nanorods as a robust and stable bifunctional electrocatalyst for pH-universal water splitting

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Engineering acid-mimetic single-atom microenvironments via lattice oxygen inversion for stable high-current-density hydrogen evolution

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Efficient electrocatalysts with strong core-shell interaction for water splitting: The modulation of selectivity and activity

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An overview of the active sites in transition metal electrocatalysts and their practical activity for hydrogen evolution reaction

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Chemical Engineering Journal, 2022, 430, 132312
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Tailoring the electronic structure of Ni5P4/Ni2P catalyst by Co2P for efficient overall water electrolysis

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Applied Energy, 2023, 349, 121582
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Crystalline‐Amorphous Ni2P4O12/NiMoOx Nanoarrays for Alkaline Water Electrolysis: Enhanced Catalytic Activity via In Situ Surface Reconstruction

Jing Wang, Jing Hu, Siqi Niu, Siwei Li, Yunchen Du and Ping Xu

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Hierarchically Heterostructured Ni(OH)2/Fe–Ni2P Nanoarray: A Synergistic Electrocatalyst for Accelerating Alkaline Hydrogen Evolution

Jiahao Zhang, Jingyu Wang, Haijiao Zhang, Yanjie Hu, Hao Jiang and Chunzhong Li

ACS Sustainable Chem. Eng., 2023, 11, 458
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The heterointerface engineering triggers hydrogen spillover through synergistic effect in alkaline media

Qiang Zhang, Yuhong Bian, Sunpeng Shan, Zhiwei Shu, Nana Wang, Xiao Zhang, Yanchao Xu, Hongjun Lin, Jianrong Chen and Yang Jiao

Chemical Engineering Journal, 2025, 503, 158344
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One-Step Electrodeposition of NiMoP/NF as an Efficient and Cost-Effective Cathodic Electrocatalyst for Alkaline Water Electrolysis

Xiaoyang Luo, Lida Wang, Wen Sun, Zhengqing Yang, Piji Zhang, Xu Chen and Guichang Liu

Ind. Eng. Chem. Res., 2023, 62, 10454
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Insight into the boosted activity of TiO2–CoP composites for hydrogen evolution reaction: Accelerated mass transfer, optimized interfacial water, and promoted intrinsic activity

Mingming Deng, Hongmei Yang, Lishan Peng, Ling Zhang, Lianqiao Tan, Guiju He, Minhua Shao, Li Li and Zidong Wei

Journal of Energy Chemistry, 2022, 74, 111
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Process intensification enhanced continuous flow for the effective coupling of sterol electrooxidation with H2 evolution using NiMo-based electrocatalysts

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Electrochemical synthesis in company with hydrogen production via renewable energy: Opportunities and challenges

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Chinese Journal of Catalysis, 2024, 58, 1
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Catalyst Engineering for Electrochemical Energy Conversion from Water to Water: Water Electrolysis and the Hydrogen Fuel Cell

Lishan Peng and Zidong Wei

Engineering, 2020, 6, 653
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Co-deposition of Co-Fe alloy catalysts for hydrogen evolution reaction based on ethylene glycol system

Xinkuai He, Ruqing Guo, Qingtian Zou, Jingjing Yang, Zhousi Hu and Luye Wu

Thin Solid Films, 2023, 785, 140093
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Interfacial Engineering of Copper–Nickel Selenide Nanodendrites for Enhanced Overall Water Splitting in Alkali Condition

Dong Cao, Jie Shao, Yahui Cui, Lipeng Zhang and Daojian Cheng

Small, 2023, 19
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Boosting Dual Hydrogen Electrocatalysis with Pt/NiMo Catalysts: Tuning the Ni/Mo Ratio and Minimizing Pt Usage

Luis Fernando Cabanillas-Esparza, Edgar Alonso Reynoso-Soto, Balter Trujillo-Navarrete, Brenda Alcántar-Vázquez, Carolina Silva-Carrillo and Rosa María Félix-Navarro

Catalysts, 2025, 15, 633
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In-situ imaging of strain-induced enhancement of hydrogen evolution activity on the extruded MoO2 sheets

Mansheng Liao, Qiaomei Zhu, Shuhua Li, Qiongqiong Li, Ziting Tao and Yongchun Fu

Nano Res., 2023, 16, 5419
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Decoration of Ir clusters accelerates the generation of active species for high-efficient overall water splitting

Xue Liu, Shaojie Jing, Chaogang Ban, Junjie Ding, Jiangping Ma, Yajie Feng, Youyu Duan, Hanjun Zou, Xiangnan Gong, Kai Zhou, Bin Zhang, Liyong Gan and Xiaoyuan Zhou

Applied Surface Science, 2023, 626, 157204
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Optimizing the size and electronic effects of core-shell heterostructures via well-constructed Ru clusters encapsulated in N-doped carbon layers

Min Jie Wang, Jiao Yang, Lishan Peng, Yongjie Bai, Zehui Liu, Xiaoliang Yang, Huijuan Lu, Bingjie Zhou, Ningtao Jiang, Guoxu He, Han-Ming Zhang, Liwei Mi and Yonghui Deng

Chinese Chemical Letters, 2025, 36, 110573
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Regulating Water Reduction Kinetics on MoP Electrocatalysts Through Se Doping for Accelerated Alkaline Hydrogen Production

Zhenpeng Liu, Jun Bu, Wenxiu Ma, Bin Yang, Lei Zhang, Hong Zhong, Shuangming Li and Jian Zhang

Front. Chem., 2021, 9
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Exploring morphology controlled structural and chemical stabilization of CoP nanoparticles on CoSe2 nanorods on carbon cloth (CoSe2–CoP/CC) for Boosted hydrogen evolution reactions in alkaline and acid electrolytes

Sumaira Nazar Hussain and Francis Verpoort

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OH−-enhanced alkaline hydrogen evolution reaction at the Au(111) electrode

Er-Fei Zhen, Tao-Qi Zong, Bai-Quan Zhu, Li-Guo Cao, Lang Qin, Jun Cai, Marko M. Melander and Yan-Xia Chen

Journal of Catalysis, 2026, 453, 116525
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Tailoring the acidity of WO3/ZrO2 to regulate the energy barrier of water dissociation in alkaline hydrogen evolution

Jiankun Wei, Jia Wang, Wei Guo, Haolin Tang and Junsheng Li

Chemical Engineering Journal, 2023, 460, 141783
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Hetero-structured V-Ni3S2@NiOOH core-shell nanorods from an electrochemical anodization for water splitting

Yao Wang, Jinchao Liu, Yifei Liao, Chaoling Wu and Yungui Chen

Journal of Alloys and Compounds, 2021, 856, 158219
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Surface engineering of MOF-derived FeCo/NC core-shell nanostructures to enhance alkaline water-splitting

Syed Shoaib Ahmad Shah, Atef El Jery, Tayyaba Najam, Muhammad Altaf Nazir, Liu Wei, Ejaz Hussain, Shahid Hussain, Faouzi Ben Rebah and Muhammad Sufyan Javed

International Journal of Hydrogen Energy, 2022, 47, 5036
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Synergistic design of hierarchical and heterostructural P-NiMoO4@Net-like Ni2P for enhanced hydrogen evolution electrocatalysis

Jian Tang, Jun Fang, Haochen Yao, Jianglong Wei, Geng Gao, Yusong Yang, Bin Yang and Yaochun Yao

Journal of Colloid and Interface Science, 2025, 690, 137313
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Interface charge density modulation of a lamellar-like spatially separated Ni9S8 nanosheet/Nb2O5 nanobelt heterostructure catalyst coupled with nitrogen and metal (M = Co, Fe, or Cu) atoms to accelerate acidic and alkaline hydrogen evolution reactions

Sundaram Chandrasekaran, Na Li, Yang Zhuang, Lijun Sui, Zhizhong Xiao, Dayong Fan, Vanchiappan Aravindan, Chris Bowen, Huidan Lu and Yongping Liu

Chemical Engineering Journal, 2022, 431, 134073
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Interface engineering of advanced electrocatalysts toward alkaline hydrogen evolution reactions

Wangyang Wu, Shidan Yang, Huidan Qian, Ling Zhang, Lishan Peng, Li Li, Bin Liu and Zidong Wei

Chinese Journal of Catalysis, 2024, 66, 1
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Synthesis of Nickel Nitride‐Based 1D/0D Heterostructure via a Morphology‐Inherited Nitridation Strategy for Efficient Electrocatalytic Hydrogen Evolution

Bin Wang, Lingju Guo, Jiangwei Zhang, Yuyan Qiao, Meng He, Qike Jiang, Yang Zhao, Xinghua Shi and Fuxiang Zhang

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Transition metal sulfides in alkaline hydrogen evolution electrocatalysis: Re-exploring their structure and composition evolution and its correlation with activity

Chengqi Wu, Jiaqi Liu and Yiwei Tan

Nano Research, 2025, 18, 94907240
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Surface/interface regulation of NiMo-based catalysts for durable anion exchange membrane water electrolysis under intermittent operation conditions

Zhuoyue Li, Cong Chen, Zhihe Wei, Wen Dong, Yang Peng, Ronglei Fan and Mingrong Shen

Applied Physics Letters, 2026, 128
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Compressive Strain in N‐Doped Palladium/Amorphous‐Cobalt (II) Interface Facilitates Alkaline Hydrogen Evolution

Ling Li, Yujin Ji, Xiaoling Luo, Shize Geng, Miaomiao Fang, Yecan Pi, Youyong Li, Xiaoqing Huang and Qi Shao

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Efficiency, Cost and Sustainability: Electrocatalysts for State-of-the-Art and Emerging Electrolysis Technologies

Lourdes Hurtado, André Leonide and Ulrich Ulmer

Sustainability, 2026, 18, 2866
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Greatly Boosting Seawater Hydrogen Evolution by Surface Amorphization and Morphology Engineering on MoO2/Ni3(PO4)2

Jianxi Lu, Songbo Chen, Yuling Zhuo, Xinya Mao, Dong Liu and Zhenbo Wang

Adv Funct Materials, 2023, 33
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Mo2N–Ni/NF Heterostructure Boosts Electrocatalytic Hydrogen Evolution with Pt-Like Activity

Xuehua Liu, Ling Zhang, Li Li, Xiaoyun Ye, Hongmei Chen and Zidong Wei

Inorg. Chem., 2020, 59, 16514
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Interfacial engineering of hierarchical MoNi4/NiO heterostructure nanosheet arrays as bifunctional electrocatalysts for urea-assisted energy-saving hydrogen production

Yuxin Zhao, Peng Zhou, Ziting Li, Bingxin Zhao, Wenyue Jiang, Xiaoshuang Chen, Jinping Wang, Rui Yang and Chunling Zuo

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2024, 681, 132776
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Amorphous-crystalline cobalt-molybdenum bimetallic phosphide heterostructured nanosheets as Janus electrocatalyst for efficient water splitting

Yunpeng Wei, Wei Li, Dazhi Li, Lingya Yi and Weihua Hu

International Journal of Hydrogen Energy, 2022, 47, 7783
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Molybdenum-induced tuning 3d-orbital electron filling degree of CoSe2 for alkaline hydrogen and oxygen evolution reactions

Sumaira Nazar Hussain, Yana Men, Zhen Li, Pingping Zhao, Gongzhen Cheng and Wei Luo

Chinese Chemical Letters, 2023, 34, 107364
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Heteroatom Modification of Nanoporous Nickel Surfaces for Electrocatalytic Water Splitting

Jingjun Shen, Xingqun Zheng, Lishan Peng, Geoffrey I. N. Waterhouse, Lianqiao Tan, Jiao Yang, Li Li and Zidong Wei

ACS Appl. Nano Mater., 2020, 3, 11298
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Recent Advances in the Development of Single‐Atom Catalysts for Oxygen Electrocatalysis and Zinc–Air Batteries

Lishan Peng, Lu Shang, Tierui Zhang and Geoffrey I. N. Waterhouse

Advanced Energy Materials, 2020, 10
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Rapid fabrication of FexNi2−xP4O12 and graphene hybrids as electrocatalyst for highly efficient oxygen evolution reaction

Lu Lin, Yufeng Wang, Qing Ye, Yanxia Zhao and Yongliang Cheng

Applied Catalysis B: Environmental, 2023, 334, 122834
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