Papers citing Machine learning-accelerated prediction of overpotential of oxygen evolution reaction of single-atom catalysts
Rational design of single transition-metal atoms anchored on a PtSe 2 monolayer as bifunctional OER/ORR electrocatalysts: a defect chemistry and machine learning study
Journal of Materials Chemistry A · 2024-01-01
Shijiao Yue, Dongying Li, Aodi Zhang, Yuli Yan, Hongxia Yan, Zhenzhen Feng, Wentao Wang
Read original paper ↗ ·Unlocking the potential: machine learning applications in electrocatalyst design for electrochemical hydrogen energy transformation
Chemical Society Reviews · 2024-01-01
Rui Fang Ding, Junhong Chen, Yuxin Chen, Jianguo Liu, Yoshio Bando, Xuebin Wang
Read original paper ↗ ·Machine Learning Guides the Discovery of High-Performance HEA Catalysts
IntechOpen eBooks · 2024-02-21
Jike Wang, Min Wei, Junyu Zhang
Read original paper ↗ ·From Single Metals to High‐Entropy Alloys: How Machine Learning Accelerates the Development of Metal Electrocatalysts
Advanced Functional Materials · 2024-04-25
Xinyu Fan, Letian Chen, Dulin Huang, Yun Tian, Xu Zhang, Menggai Jiao, Zhen Ping Zhou
Read original paper ↗ ·Machine-Learning-Assisted Descriptors Identification for Indoor Formaldehyde Oxidation Catalysts
Environmental Science & Technology · 2024-05-01
Xinyuan Cao, Jisi Huang, Kexin Du, Yawen Tian, Zhixin Hu, Zhu Luo, Jinlong Wang, Yanbing Guo
Read original paper ↗ ·Recent Advancements in Scalable Hydrogen Generation: An Integrated Approach of Experiments, Computation, and Machine Learning
ACS symposium series · 2024-05-15
Ruchi Agarwalla, Riya Mudoi, Unnati Bora, Jyotirmoy Deb, Madhulekha Gogoi, Lakshi Saikia
Read original paper ↗ ·A review of advancements in theoretical simulation of oxygen reduction reaction and oxygen evolution reaction single-atom catalysts
Materials Today Sustainability · 2024-06-08
Ninggui Ma, Yu Xiong, Yuhang Wang, Yaqin Zhang, Qianqian Wang, Shuang Luo, Jun Zhao, Changxiong Huang, Jun Fan
Read original paper ↗ ·Recent advances in the development of single atom catalysts for oxygen evolution reaction
International Journal of Hydrogen Energy · 2024-08-09
Sai Li, Zeyi Xin, Yue Luo, Jianxin Pan, Guangning Liao, Qi Li, Youyi Sun, Zhiming Feng, Rui Qin Tan
Read original paper ↗ ·Insights into the Single Atom and Support Interaction in Electrocatalytic Oxygen Evolution Reaction
ChemElectroChem · 2024-08-30
Carsten Walter, Ajit Singh, Tobias Sontheimer, Arindam Indra, Prashanth Wilfred Menezes
Read original paper ↗ ·Structure–Activity Relationships in Oxygen Electrocatalysis
Advanced Materials · 2024-09-30
Jingyi Han, Jingru Sun, Siyu Chen, Siying Zhang, Luoluo Qi, Anaer Husile, Jingqi Guan
Read original paper ↗ ·Using Machine Learning to Forecast the Conductive Substrate-Supported Heteroatom-Doped Metal Compound Electrocatalysts for Hydrogen Evolution Reaction
The Journal of Physical Chemistry C · 2024-10-08
Nana Zhou, Yaling Zhao, Qingzhang Lv, Yahong Chen
Read original paper ↗ ·Precise Synthesis of Single‐Atom Catalysts for Boosting Next‐Generation Advanced Oxidation and Reduction Processes in Sustainable Energy Applications
ChemCatChem · 2024-10-28
Ata Ur Rehman, Tianyu Zhao, Sining Yun, Kecan Dou, Weidong Zhu, Fu‐Min Zhang
Read original paper ↗ ·Machine learning applications on proton exchange membrane water electrolyzers: A component-level overview
International Journal of Hydrogen Energy · 2024-11-15
Abdelmola Albadwi, Saltuk Buğra Selçuklu, Mehmet Fatih Kaya
Read original paper ↗ ·A review on research progress of double perovskite oxides for oxygen evolution reaction electrocatalysts and supercapacitors
RSC Applied Interfaces · 2025-01-01
Liangdong Chen, Jie Ding, Xinhua Zhu
Read original paper ↗ ·Enhancing Export Competitiveness of SMEs in Sfax: A Machine Learning Approach Using Principal Component Analysis
Human Behavior and Emerging Technologies · 2025-01-01
Amal Ben Abdallah, Maryam Elamine, Younes Boujelbène
Read original paper ↗ ·Strategies for enhancing catalytic performance of single-atom catalysts in 2e- oxygen reduction reaction: A review
The Innovation Materials · 2025-01-01
Xinglei Gao, Guoqing Huang, Shubo Jing, Shaonan Xu, Zhuang Zhuang Xue, Lin Wang, Nan Li
Read original paper ↗ ·Study of the growth kinetic effects of graphene in copper catalysts
AIP conference proceedings · 2025-01-01
Agus Ismangil, Erik Bhekti Yutomo, Irzaman Irzaman, Toto Winata, Fatimah Arofiati Noor
Read original paper ↗ ·Accelerating the green hydrogen revolution: The synergy of PEMWE and AI
Renewable Energy System and Equipment · 2025-01-09
Ning Wang, Huanxin Xiang, Ling Meng, Chunmei Tang, Zhun Dong, Yunsong Yang, Lei Du, Siyu Ye
Read original paper ↗ ·Expanding the frontiers of electrocatalysis: advanced theoretical methods for water splitting
Nano Convergence · 2025-01-24
Seong Chan Cho, Jun Ho Seok, Hung Ngo Manh, Jae Hun Seol, Chi H. Lee, Sang Uck Lee
Read original paper ↗ ·Machine Learning-Assisted High-Throughput Screening for Electrocatalytic Hydrogen Evolution Reaction
Molecules · 2025-02-07
Guohao Yin, Haiyan Zhu, Shanlin Chen, Tingting Li, Chou Wu, Shaobo Jia, Jianxiao Shang, Zhequn Ren, Tianhao Ding, Yawei Li
Read original paper ↗ ·Theoretical insights into performance descriptors and their impact on activity optimization strategies for cobalt-based electrocatalysts
Coordination Chemistry Reviews · 2025-02-27
Xinxin Zhang, Lei Wang, Ying Hao Xie, Honggang Fu
Read original paper ↗ ·The Future of Catalysis: Applying Graph Neural Networks for Intelligent Catalyst Design
Wiley Interdisciplinary Reviews Computational Molecular Science · 2025-03-01
Zhihao Wang, Wentao Li, Siying Wang, Xiaonan Wang
Read original paper ↗ ·Unlocking CO2 conversion potential with single atom catalysts and machine learning in energy application
iScience · 2025-03-31
Esraa Kotob, Mohammed Mosaad Awad, Mustapha Umar, Omer Ahmed Taialla, Ijaz Hussain, Shaima Ibrahim Alsabbahen, Khalid Rashed Alhooshani, Saheed Adewale Ganiyu
Read original paper ↗ ·Parametric Optimization of Transition Metal-Based Nanocomposite Electrocatalysts for Oxygen Evolution Reaction in Alkaline Media
Electrocatalysis · 2025-04-11
Vedasri Bai Khavala, Abhijai Velluva, Adhithyan Kathiravan, Harish Kuruva, Chandan Singh Khavala, Budaraju Srinivasa Murty, Tiju Thomas
Read original paper ↗ ·SPOCK Tool for Constructing Empirical Volcano Diagrams from Catalytic Data
ACS Catalysis · 2025-04-18
Manu Suvarna, Rubén Laplaza, Romain Graux, Núria López, Clémence Corminbœuf, Kjell Jorner, Javier Pérez‐Ramírez
Read original paper ↗ ·TM-N4-Gra/XS2 (X= Mo, Sn, W) heterojunction catalysts for oxygen reduction reaction and oxygen evolution reaction: Density function theory and machine learning insights
International Journal of Hydrogen Energy · 2025-06-12
Yujie Sun, Chang‐Chun Ding, Bei-Chen Dai, Jun-Long Zhou, Wei Jin, Tong Liu, Jun-Shan Hu, Min-Quan Kuang
Read original paper ↗ ·Single Atom Engineering for Electrocatalysis: Fundamentals and Applications
ACS Catalysis · 2025-06-20
Mario Urso, Xiaohui Ju, Radhika Nittoor‐Veedu, Hyesung Lee, Dagmar Zaoralová, Michal Otyepka, Martin Pumera
Read original paper ↗ ·Identifying Adsorption States of OER Intermediates on Single-Atom Catalysts via a Spectral Machine Learning Framework
The Journal of Physical Chemistry Letters · 2025-07-24
Fan Wu, Ke Ye, Jun Jiang
Read original paper ↗ ·Pathways to Low-Iridium Loading in Proton Exchange Membrane Water Electrolyzer Anodes: From Catalyst Design to Catalyst Layer Integration
ACS Applied Energy Materials · 2025-08-11
Chanho Pak, Song Gyun Kim, Heena Yang, Yong Won Kim, Jack Todd Lang, Hung-Ming Joseph Chang, Obeen Kwon, Iryna V. Zenyuk
Read original paper ↗ ·High-Efficiency Catalyst Screening Driven by Machine Learning for the Oxidation of 5-Hydroxymethylfurfural to 2, 5-Furandicarboxylic Acid
ACS Sustainable Chemistry & Engineering · 2025-08-20
Min Li, Dongyu Liu, Longzhen Yu, Shitao Yu, Li Lü, Shiwei Liu, Hailong Yu, Yue Liu
Read original paper ↗ ·Prospects of AI in advancing green hydrogen production: From materials to applications
Applied Physics Reviews · 2025-09-01
Doudou Zhang, Weisheng Pan, Haijiao Lu, Zhiliang Wang, Bikesh Gupta, Amanullah Maung Than Oo, Lianzhou Wang, Karsten Reuter, Haobo Li, Yijiao Jiang, Siva Krishna Karuturi
Read original paper ↗ ·Bridging Laboratory Catalysts with Industrial Proton Exchange Membrane Water Electrolyzers
Advanced Materials · 2025-10-04
Chengli Rong, Quentin P.-G. Meyer, Haochen Lu, Chuan Zhao
Read original paper ↗ ·Recent development and challenges in TMD-based 2D materials towards OER/ORR electrocatalysis
Reaction Chemistry & Engineering · 2025-10-07
Kashif Nawaz Khattak, Yueyue Shao, Jia Jun Zhou
Read original paper ↗ ·AI-Accelerated Discovery of Electrocatalyst Materials
ACS Materials Au · 2025-10-18
Yifan Zeng, Jun Wang, Fengwang Li, Tongliang Liu, Aoni Xu
Read original paper ↗ ·Accelerated discovery of OER catalysts in Pnma perovskites via machine learning with minimal DFT structure relaxation
Computational Materials Science · 2025-10-24
Chanseok Kim, M. Yoon, Jun Hee Lee
Read original paper ↗ ·Industrial robust 2D multimetallic high-entropy oxides for water splitting
International Journal of Hydrogen Energy · 2025-10-26
Jianliang Yuan, Jian Chen, Yuqi Li, Chengxu Zhang, Jue Hu
Read original paper ↗ ·Data-driven optimisation of more sustainable high-to-medium entropy Perovskites for oxygen evolution catalysts
Materials Horizons · 2026-01-01
Anis Arisa Roslan, Jack J. Quayle, Yuankai Zhao, Thomas Edward Ashton, Jiacheng Wang, Stuart A. Bateman, Tu C. Le, Jawwad Arshad Darr
Read original paper ↗ ·Designing single-atom catalysts: bridging metal–support interaction and adsorption energy optimization
Chemical Science · 2026-01-01
Huaizhen Cui, Jiaqi Zhang, Chen Chen
Read original paper ↗ ·Electrocatalytic hydrogen generation from seawater: advances, opportunities, challenges and future roadmap
Journal of Materials Chemistry A · 2026-01-01
Rashmi Chetry, Deepak S. Gavali, Mohsen Ahmadipour, Ujjwal Pal
Read original paper ↗ ·Nanostructured high-entropy oxides for catalysis: linking entropy to function
Nanoscale · 2026-01-01
Zhuxin Lyu, Yunpeng Wang, Yueming Sun, Yunqian Dai
Read original paper ↗ ·Site surgery in single atom catalysis: machine learning assisted precise regulation of coordination environment and decoding of structure-activity relationships
Nano Materials Science · 2026-01-01
Jun Deng, Xuejun Zhu, Yuanchuan Ren, Cheng Wang, Nanqi Ren
Read original paper ↗ ·Commercialization path of data-driven green catalytic technology: the application of machine learning in technology lifecycle management
Environmental Research · 2026-02-08
Tingfa Zhou, Chao Hu
Read original paper ↗ ·From density functional theory to machine learning: Emerging paradigms in energy materials discovery
Journal of Power Sources · 2026-02-13
Mullapudi V. Jyothirmai, Shrish Nath Upadhyay, S Rama Gokula Krishnan, Sudipta Roy, Jayant Kumar Singh
Read original paper ↗ ·Design, characterization, and dynamic behavior of atomically dispersed Pt catalysts for water splitting and oxygen reduction: From experimental insights to machine-learning-assisted analysis
Chemical Physics Reviews · 2026-03-01
Shuai Kang, Wendi Yang, Huan Li, Ziming Zhao, Wenqiang Lu, Longxing Su
Read original paper ↗ ·Machine learning-guided design of energy-related catalysts from nanoparticles to single-atom sites
Communications Chemistry · 2026-03-24
Zhongbao Hu, Zhoukun Wang, Yunyi Peng, Zhen Gao, Chanyuan Jin, Zechao C. Zhuang, Jian‐Feng Li
Read original paper ↗ ·Machine learning assisted directed conversion of waste plastics into high-performance single-atom catalysts: Progress, challenges and future opportunities
Journal of Analytical and Applied Pyrolysis · 2026-04-19
Jiangpeng Xue, Youwen Li, Yuanchuan Ren, Lianghuan Wei, Ning Ling
Read original paper ↗ ·Crystallographic insights into LDH-based electrocatalysts for efficient oxygen evolution reaction
Journal of Physics and Chemistry of Solids · 2026-05-05
Aastha Chauhan, Taniksha Padiyar, Rajni Thakur, Rohit Kumar, Bhari Mallanna Nagaraja, Samriti Mehta, Itika Kainthla
Read original paper ↗ ·Tailoring single-atom catalysts for proton-exchange-membrane water electrolysis: From descriptors and design to optimization
EnergyChem · 2026-05-31
Jinfan Zhang, Dandan Ma, Yufei Jia, Qingshuang Wu, Xiangbo Feng, Gao Y, J H Li, Jian‐Wen Shi
Read original paper ↗ ·Combining DFT calculations and machine learning for rational design of hydrogen electrocatalysts
Chinese Journal of Chemical Engineering · 2026-06-09
Shuna Yang, HJ Xu, Wenhao Lv, Shaojie Yang, Yawei Liu, Feng Huo
Read original paper ↗ ·Artificial intelligence–driven decoupling structure–activity relationship for lithium‐ion batteries
InfoScience. · 2026-06-11
T H Wang, Yu Meng, Tianhao Chen, Xiangfen Jiang, Yoshio Bando, Jinjue Zeng, Xuebin Wang
Read original paper ↗ ·