Papers citing Toward Excellence of Electrocatalyst Design by Emerging Descriptor‐Oriented Machine Learning
Progress in Single/Multi Atoms and 2D‐Nanomaterials for Electro/Photocatalytic Nitrogen Reduction: Experimental, Computational and Machine Leaning Developments
Advanced Energy Materials · 2024-02-11
Aditya Narayan Singh, Rohit Anand, Mohammad Zafari, Miran Ha, Kwang S. Kim
Read original paper ↗ ·Data‐Driven Screening of Pivotal Subunits in Edge‐Anchored Single Atom Catalysts for Oxygen Reactions
Advanced Functional Materials · 2024-02-20
Qitong Ye, Xingxing Yi, Cai‐Zhuang Wang, Tao Zhang, Yipu Liu, Shiwei Lin, Hong Jin Fan
Read original paper ↗ ·The emerging Sr2FeMoO6-based electrocatalysts for solid oxide electrochemical cell: synthesis, modulation and applications
Chemical Synthesis · 2024-02-29
Yuanfeng Liao, Xiuan Xi, Hao Chen, Jianwen Liu, Xian‐Zhu Fu, Jing‐Li Luo
Read original paper ↗ ·Efficient Machine Learning Model Focusing on Active Sites for the Discovery of Bifunctional Oxygen Electrocatalysts in Binary Alloys
ACS Applied Materials & Interfaces · 2024-03-21
Chao Wang, Chao Wang, Bing Wang, Changhao Wang, Changhao Wang, Zhipeng Chang, Mengqi Yang, Ru‐Zhi Wang
Read original paper ↗ ·Machine learning for CO 2 capture and conversion: A review
Energy and AI · 2024-03-30
Sung Eun Jerng, Yang Jeong Park, Ju Li
Read original paper ↗ ·Additive Manufacturing: A Paradigm Shift in Revolutionizing Catalysis with 3D Printed Photocatalysts and Electrocatalysts Toward Environmental Sustainability
Small · 2024-04-18
Valerine Khoo, Sue‐Faye Ng, Choon Yian Haw, Wee‐Jun Ong
Read original paper ↗ ·A mini review on the applications of artificial intelligence (AI) in surface chemistry and catalysis
Tenside Surfactants Detergents · 2024-04-29
Faisal Al‐Akayleh, Ahmed S.A. Ali Agha, Rami A. Abdel‐Rahem, Mayyas M. Al-Remawi
Read original paper ↗ ·Work Function‐Guided Electrocatalyst Design
Advanced Materials · 2024-04-29
Zhijie Chen, Tianyi Ma, Wei Wei, Wai‐Yeung Wong, Chuan Zhao, Bing‐Jie Ni
Read original paper ↗ ·Electrochemical energy conversion and storage processes with machine learning
Trends in Chemistry · 2024-05-14
Jihyeon Park, Jaeyoung Lee
Read original paper ↗ ·Machine‐Learning‐Assisted Discovery of Mechanosynthesized Lead‐Free Metal Halide Perovskites for the Oxidative Photocatalytic Cleavage of Alkenes
Advanced Science · 2024-05-28
Yonghao Xiao, Khokan Choudhuri, Adisak Thanetchaiyakup, Wei Xin Chan, Xinwen Hu, Mansour Sadek, Ying Hern Tam, Ryan Guanying Loh, Sharifah Nadhirah Binte Shaik Mohammed, Kendric Jian Ying Lim, Ju Zheng Ten, Felipe Garcı́a, Vijila Chellappan, Tej Salil Choksi, Yee‐Fun Lim, Han Sen Soo
Read original paper ↗ ·Critical Review and Analytical Energetic Assessment of Key-parameters for Industry 4.0 Development in Italy through a Cross-comparison with the EU Digitalization Scenarios
Journal of Sustainable Development of Energy Water and Environment Systems · 2024-06-01
Giulia Bellini, Francesca Bazzocchi, Marco Borgarello, Simone Maggiore, Stefano Moscarelli
Read original paper ↗ ·Recent Advances on Carbon‐Based Metal‐Free Electrocatalysts for Energy and Chemical Conversions
Advanced Materials · 2024-07-25
Qingfeng Zhai, Hetaishan Huang, Tom Lawson, Zhenhai Xia, Paolo Giusto, Markus Antonietti, Mietek Jaroniec, Manish Chhowalla, Jong‐Beom Baek, Yun Liu, Shi‐Zhang Qiao, Liming Dai
Read original paper ↗ ·Enhancing performance of lower-temperature solid oxide fuel cell cathodes through surface engineering
Progress in Materials Science · 2024-08-12
Halefom G. Desta, Gebrehiwot Gebreslassie, Jianjian Zhang, Bin Lin, Yun Zheng, Yun Hong Zheng
Read original paper ↗ ·Machine Learning‐Assisted Design of Nitrogen‐Rich Covalent Triazine Frameworks Photocatalysts
Advanced Functional Materials · 2024-08-19
Mingliang Wu, Zhilong Song, Yu Cui, Zhanzhao Fu, Kunquan Hong, Qiang Li, Zhiyang Lyu, Wei Liu, Jinlan Wang
Read original paper ↗ ·Recent progress in high‐entropy nanocatalysts
cMat · 2024-09-01
Lingfeng Kuang, Lei Zhang, Hui Li, Haiying Qin, Hong‐Zhong Chi, Jiabin Liu, Jing Zhang, Feng Yan, Xuezhang Xiao
Read original paper ↗ ·Ni-based electrocatalysts for urea oxidation reaction: Mechanistic insights and recent advancements
Journal of Alloys and Compounds · 2024-09-19
Ze Li, Youbin Zheng, Hao Guo, Xiaoqing Cheng, Yuhui Huang, Cunyin Liu, Jianbing Zang, Liang Dong
Read original paper ↗ ·Screening A-site ordered quadruple perovskites for alkaline hydrogen evolution reaction via unifying electronic configuration descriptor
Chinese Physics B · 2024-09-27
Ning 宁 Sun 孙, Wenbo Li, Yang 杨 Qin 秦, Zhichuan Zheng, B. Zhang, Xiangjiang Dong, Peng Wei, Yixiao 艺潇 Zhang 张, Xian 贤 He 何, Xinyu Xie, Kai Huang, Lailei Wu, Ming 鸣 Lei 雷, Huiyang Gou, Runze Yu
Read original paper ↗ ·Bridging gaps between lab- and fab-oriented anode design for proton exchange membrane water electrolyzers
Chem · 2024-10-10
Jun John Xu, Yuting Yang, Huanyu Jin, Yao Zheng, Shi‐Zhang Qiao
Read original paper ↗ ·Design of Electrocatalysts with High Performance Based on Thermodynamics and Kinetics: Progress and Prospects
Advanced Functional Materials · 2024-10-15
Minshu Du, Feihan Yu, Shumin Gong, Feng Liu
Read original paper ↗ ·Edge-doped substituents as an emerging atomic-level strategy for enhancing M–N 4 –C single-atom catalysts in electrocatalysis of the ORR, OER, and HER
Nanoscale Horizons · 2024-11-05
Liang Xie, Wei Zhou, Zhibin Qu, Yuming Huang, Longhao Li, Chaowei Yang, Junfeng Li, Xiaoxiao Meng, Fei Sun, Jihui Gao, Guangbo Zhao
Read original paper ↗ ·Interference mechanism of electrolyte cations on vanadium-oxygen binary doped carbon nitride for hydrogen evolution from artificial seawater splitting: Coupling experiments, DFT calculations and machine learning
Applied Catalysis B: Environmental · 2024-11-05
Longde Jiang, Jingde Luan, Haowei Zhang, Yu Bai, Yu Zhang, Wengang Liu, Zheng Guo Yan, Haiting Zhao
Read original paper ↗ ·The use of single-metal atom-based photocatalysts for the production of ammonia through photocatalytic nitrogen fixation
Inorganic Chemistry Frontiers · 2024-11-12
Ping Zhang, Yongchong Yu, Reyila Tuerhong, Xinyu Du, Keyi Chai, Xiaoping Su, Qing Su, Shujuan Meng, Lijuan Han
Read original paper ↗ ·Surface Reconstruction Induced by Preconditioning in Different Electrolytes Impacts Electrooxidation of Solketal on Multi‐Metal‐Based Catalysts
Advanced Functional Materials · 2024-12-12
Jian Zhang, Bhawana Kumari, Thomas Quast, Steffen Cychy, Ignacio Sanjuán, Martin Muhler, Wolfgang W. Schuhmann, Corina Andronescu
Read original paper ↗ ·Machine learning-driven breakthroughs in water electrolysis and supercapacitors
Materials Chemistry Frontiers · 2025-01-01
Diab Khalafallah, Fuming Lai, Hao Huang, Jue Wang, Xiaoqing Wang, Shengfu Tong, Qinfang Zhang
Read original paper ↗ ·Porous organic material-based atomically dispersed metal electrocatalysts
Energy & Environmental Science · 2025-01-01
Hao Zhang, Suwen Wang, Enmin Lv, Menghui Qi, Chengchao He, Xinglong Dong, Jieshan Qiu, Yong Wang, Zhenhai Wen
Read original paper ↗ ·Rapid synthesis of metastable materials for electrocatalysis
Chemical Society Reviews · 2025-01-01
Qiao Chen, Zichao Xi, Ziyuan Xu, Minghui Ning, Huimin Yu, Yuanmiao Sun, Dawei Wang, Ali Sami Alnaser, Huanyu Jin, Hui–Ming Cheng
Read original paper ↗ ·Atomistic simulations of heterogeneous electrocatalysis at the center of sustainable carbon feedstocks
Current Opinion in Electrochemistry · 2025-02-14
Stefan Ringe, G. Raabe
Read original paper ↗ ·Catalysis‐Driven Sulfur Conversion: From Electrolyte‐Flooded to Solid‐State Batteries
Advanced Functional Materials · 2025-02-14
Haotian Yang, Yunhan Xu, Yufei Zhao, Chuannan Geng, Huilin Ge, Lu Wang, Wei Zhong Lv, Chunpeng Yang, Wei Chen, Quan‐Hong Yang
Read original paper ↗ ·Graphdiyne-based metal-free catalysts: Innovations in synthesis, properties, functionalization, morphology and applications
Renewable and Sustainable Energy Reviews · 2025-03-17
Hamid Ali, Obaid Iqbal, Muhammad Sadiq, Jawad Ul Hassan, Basem Abdullah M. Al Alwan, Atef El Jery, Ahmed M. Abu‐Dief, R. A. El‐Kasaby, Asif Hayat, Dewu Yue, Ma Xingyi
Read original paper ↗ ·Machine learning assisted Co3O4/NiO popsicle sticks-infused electrospun nanofibers for efficient oxygen evolution reaction
Scientific Reports · 2025-03-28
Azza A. Al‐Ghamdi, Abdul Sami, Salah M. El‐Bahy, Merfat Mohammed Alsabban, Wajid Sajjad, Ahlam I. Al‐Sulami, Muhammad Waseem Fazal, Reema H. Aldahiri, Fatimah Mohammad H. AlSulami, Muhammad Ali Khan, Naeem Akhtar
Read original paper ↗ ·Guided electrocatalyst design through in-situ techniques and data mining approaches
Nano Convergence · 2025-04-18
Mingyu Ma, Yuqing Wang, Yanting Liu, Shasha Guo, Zheng Liu
Read original paper ↗ ·Electrochemical reduction of CO2 to liquid products: Factors influencing production and selectivity
International Journal of Hydrogen Energy · 2025-04-25
Rana Rashad Mahmood Khan, Ramsha Saleem, Syeda Satwat Batool, Shahzad Rasheed, Zohaib Saeed, Muhammad Ali Pervaiz, Umer Younas, Muhammad Summer, Maira Liaqat
Read original paper ↗ ·Machine learning-driven prediction and optimization of selective glycerol electrocatalytic reduction into propanediols
Journal of Electroanalytical Chemistry · 2025-04-25
Muhammad Harussani Moklis, Cries Avian, Cheng Shuo, Sasipa Boonyubol, Jeffrey S. Cross
Read original paper ↗ ·Data-driven design of metal oxide electrocatalysts with low tafel slope in oxygen evolution reaction
Journal of Alloys and Compounds · 2025-05-14
Fengxiang Sun, Shan Zhu, Zixun Liu, Chang Liu, Kezhu Jiang, Yangyang Zhang, Biao Chen, Shijian Zheng
Read original paper ↗ ·Nano high-entropy materials for bifunctional oxygen electrocatalysis: Rational design, structure-activity relationships, and applications in rechargeable metal-air batteries
Energy storage materials · 2025-05-30
Tarekegn Heliso Dolla, Siyabonga Patrick Mbokazi, Thabo Matthews, Rhiyaad Mohamed, Ludwe Luther Sikeyi, Usman Muhammad Tukur, Jiexi Wang, Phumlani Fortune Msomi, Winny Kgabo Maboya, Peter Ramashadi Makgwane, Nithyadharseni Palaniyandy, Mkhulu Kenneth Mathe
Read original paper ↗ ·Rational design of catalysts for lithium–sulfur batteries based on descriptors: progress and prospects
Energy storage materials · 2025-07-01
Kangdong Tian, Miaofa Yuan, Zhiwei Zhang, Chengxiang Wang
Read original paper ↗ ·Strategies for Urban Hydrogen Utilization: A Focus on Fuel Cell Technology and Hydrogen Infrastructure Development
Korean Journal of Chemical Engineering · 2025-07-07
Dae-Kyo Oh, Sangmin Ha, Krishnan Veeramani, Yoongu Lim, Dae Jun Moon, Gyoung Hwa Jeong, Juhwang Kim, Subramani Surendran, Xiaoyan Lu, Heechae Choi, Gibum Kwon, Young‐Hoon Yun, Uk Sim
Read original paper ↗ ·The crystallographic active sites analysis of Lumbricus rubellus worm derived protein-based bio-organic electrocatalyst
Molecular Catalysis · 2025-07-15
Purnami Purnami, Willy Satrio Nugroho, Wresti Listu Anggayasti, N.M. Dwidiani, I.N.G. Wardana
Read original paper ↗ ·GAN-driven discovery of low-cost non-noble metallic electrocatalysts for glycerol electroreduction
Electrochimica Acta · 2025-08-05
M.M. Harussani, Cries Avian, Cheng Shuo, Sasipa Boonyubol, Jenq‐Shiou Leu, Köichi Mikami, Jeffrey S. Cross
Read original paper ↗ ·Electrodeposition of multi component alloys for hydrogen evolution reaction – A review
Next Materials · 2025-08-08
Ipsita Marathe, Jeetendra Mishra, Naga Sruthi Neelam, Manwendra Kumar Tripathi
Read original paper ↗ ·Recent advances in tailored nanostructured ozonation catalysts for enhanced VOCs removal: synergistic optimization of scale configuration and electronic microenvironment
Coordination Chemistry Reviews · 2025-08-18
Xuexia Guo, Zhangnan Yao, Xianhu Long, Lu Zeng, Chenghua Wang, Fang Zhong, Tao Zhong, Shuanghong Tian, Dong Shu, Chun He
Read original paper ↗ ·Electrosynthesis of Urea from Carbon Dioxide and Waste Nitrates: History, Recent Progress, and Future Prospects
Advanced Functional Materials · 2025-08-20
Yifan Zhou, Gaoshan Xing, Chenghan Sun, Zekun Chen, Shuying Li, Rui Yang, Meng Chen, Pan Zhang, Changrui Feng, Abuliti Abudula, Guoqing Guan
Read original paper ↗ ·Opportunities and perspectives of artificial intelligence in electrocatalysts design for water electrolysis
Energy and AI · 2025-09-02
Qing Wang, Lizhen Wu, Qiang Zheng, Liang An
Read original paper ↗ ·Spin Matters: A Multidisciplinary Roadmap to Understanding Spin Effects in Oxygen Evolution Reaction During Water Electrolysis
Advanced Energy Materials · 2025-10-10
Emma van der Minne, Priscila Vensaus, Vadim Ratovskii, Seenivasan Hariharan, Jan Behrends, Cesare Franchini, Jonas Fransson, Sarnjeet S. Dhesi, Felix Gunkel, Florian Gossing, Georgios Katsoukis, Ulrike I. Kramm, Magalı́ Lingenfelder, Qianqian Lan, Yury V. Kolen’ko, Yang Li, Ramsundar Rani Mohan, Jeffrey McCord, Lingmei Ni, Eva Pavarini, Rossitza Pentcheva, David H. Waldeck, Michael Verhage, Anke Yu, Zhichuan Jason Xu, Piero Torelli, Silvia Mauri, Narcis Avarvari, Anja Bieberle‐Hütter, Christoph Baeumer
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 ↗ ·Few-shot learning breaks the data bottlenecks in perovskite materials design
Materials Today Physics · 2025-10-18
Hairui Zhou, Hongyu Liu, Hongyu Liu, Zhengxin Chen, Zhengxin Chen, Bowen Liu, Bowen Liu, Bowen Liu, Lanze Xiao, Xiaolin Liu, Ling Yang, Minliang Lai, Zefeng Chen, Zefeng Chen, Jia Horng Lin
Read original paper ↗ ·Machine Learning-Assisted DFT Screening of Nitrogen-Doped Graphene Diatomic Catalysts for Nitrogen Reduction Reaction
Molecules · 2025-10-20
Xiulin Wang, Suofu Nie, Huichao Yao, Sida Wu, Yanze Li, Junli Feng, Yiyan Sui, Yuqing Zhang, Xinwei Wang, Xiuxia Zhang
Read original paper ↗ ·Prediction of the elastic properties and electrical resistance of halide glass based on interpretable machine learning
Journal of Materials Chemistry C · 2025-11-08
Jiayang Zhou, Xiangfu Wang
Read original paper ↗ ·Descriptors of Electrocatalysis for CO2 Reduction to C2+ Products Formation
ACS Applied Energy Materials · 2025-11-19
Soumen Midya, Arpan Chakraborty, Subhendu Mishra, Abhishek Kumar Singh
Read original paper ↗ ·Deciphering E g Occupancy Descriptor in Oxygen Electrocatalysis
Angewandte Chemie International Edition · 2025-12-01
Jiaqi Ran, Yuhang Zhang, Shi Xue Dou, Daqiang Gao, Laiquan Li
Read original paper ↗ ·