Papers citing Directly predicting limiting potentials from easily obtainable physical properties of graphene-supported single-atom electrocatalysts by machine learning
Theoretical inspection of TM-P4C single-atom electrocatalysts: High performance for oxygen reduction and evolution reactions
Electrochimica Acta · 2022-07-13
Chaohong Guan, Runxin Ouyang, Hong Min Zhu, Yangyang Xie
Read original paper ↗ ·Transition-Metal Interlink Neural Network: Machine Learning of 2D Metal–Organic Frameworks with High Magnetic Anisotropy
ACS Applied Materials & Interfaces · 2022-07-13
Pengju Wang, Jianpei Xing, Xue Jiang, Jijun Zhao
Read original paper ↗ ·Machine-learning-assisted insight into the cathode catalyst layer in proton exchange membrane fuel cells
Journal of Power Sources · 2022-07-14
Yuxuan Lou, Mingsheng Hao, Yinshi Li
Read original paper ↗ ·Machine Learning for Electrocatalyst and Photocatalyst Design and Discovery
Chemical Reviews · 2022-07-21
Haoxin Mai, Tu C. Le, Dehong Chen, David Alan Winkler, Rachel A. Caruso
Read original paper ↗ ·Tailoring Bond Microenvironments and Reaction Pathways of Single‐Atom Catalysts for Efficient Water Electrolysis
Angewandte Chemie · 2022-07-25
Weiqiong Zheng, Ran Zhu, Huijuan Wu, Tian Ma, Hongju Zhou, Mi Zhou, Chao Hong He, Xikui Liu, Shuang Li, Chong Cheng
Read original paper ↗ ·Tailoring Bond Microenvironments and Reaction Pathways of Single‐Atom Catalysts for Efficient Water Electrolysis
Angewandte Chemie International Edition · 2022-07-25
Weiqiong Zheng, Ran Zhu, Huijuan Wu, Tian Ma, Hongju Zhou, Mi Zhou, Chao Hong He, Xikui Liu, Shuang Li, Chong Cheng
Read original paper ↗ ·Utilizing High Coordination Diversity in Carbon Nanocone Supported Catalytic Single-Atom Sites for Screening of Optimal Activity
The Journal of Physical Chemistry Letters · 2022-07-28
Linjie Deng, Xiyu Li, Guozhen Zhang, Qiquan Luo, Yang Li, Jun Jiang
Read original paper ↗ ·Machine learning aided synthesis and screening of HER catalyst: Present developments and prospects
Catalysis Reviews · 2022-07-30
Masilamani Karthikeyan, Durga Madhab Mahapatra, Abdul Syukor Abd Razak, Abdulaziz A.M. Abahussain, Baranitharan Ethiraj, Lakhveer Singh
Read original paper ↗ ·Multi-Task Mixture Density Graph Neural Networks for Predicting Cu-based Single-Atom Alloy Catalysts for CO2 Reduction
Research Square · 2022-10-21
Liang Chen, Bowen Wang, Shaogang Hao, Guangyong Chen, Pheng‐Ann Heng, Xiaolong Zou
Read original paper ↗ ·Theory, properties and engineering of 2D magnetic materials
Progress in Materials Science · 2022-10-22
Shucheng Xing, Jian Xin Zhou, Xuanguang Zhang, Stephen R. Elliott, Zhimei Sun
Read original paper ↗ ·CdN4C0-gra as efficient trifunctional electrocatalyst for the HER, OER and ORR: A density functional theory study
Applied Surface Science · 2022-11-07
Luya Jin, Chao Liu, Daomiao Wang, Meiling Liu, Tae-Gwan Lee, Shaik Gouse Peera, Xiaopeng Qi
Read original paper ↗ ·Tuning OER Electrocatalysts toward LOM Pathway through the Lens of Multi-Descriptor Feature Selection by Artificial Intelligence-Based Approach
ACS Materials Letters · 2022-12-27
Haruna Adamu, Sani Isah Abba, Paul Betiang Anyin, Yusuf Sani, Zain Hassan Yamani, Mohammad Qamar
Read original paper ↗ ·Multi-Task Mixture Density Graph Neural Networks for Predicting Cu-based Single-Atom Alloy Catalysts for CO2 Reduction
Research Square · 2022-12-29
Xiaolong Zou, Liang Chen, Bowen Wang, Shaogang Hao, Guangyong Chen, Pheng‐Ann Heng
Read original paper ↗ ·Discovery of all-inorganic lead-free perovskites with high photovoltaic performance via ensemble machine learning
Materials Horizons · 2023-01-01
Xia Cai, Yan Li, Jianfei Liu, Hao Zhang, Jianguo Pan, Yiqiang Zhan
Read original paper ↗ ·Identifying key factors of peroxymonosulfate activation on single-atom M–N–C catalysts: a combined density functional theory and machine learning study
Journal of Materials Chemistry A · 2023-01-01
Yun Sun, Jiachun Cao, Qianyu Li, Didi Li, Zhimin Ao
Read original paper ↗ ·Machine learning enabled rational design of atomic catalysts for electrochemical reactions
Materials Chemistry Frontiers · 2023-01-01
Lianping Wu, Teng Li
Read original paper ↗ ·Paradigm in single-atom electrocatalysts for dinitrogen reduction to ammonia
Materials Chemistry Frontiers · 2023-01-01
Srikanth Ponnada, Demudu Babu Gorle, Indu Kumari, Sakkarapalayam Murugesan Senthil Kumar, Mark T. Swihart, Gerardine G. Botte, Rakesh Kumar Sharma
Read original paper ↗ ·The Defect Chemistry Study of Single Transition-Metal Atoms Anchored on Ptse2 Monolayer for the Rational Design of Bifunctional Oer/Orr Electrocatalysts
SSRN Electronic Journal · 2023-01-01
Shijiao Yue, Dongying Li, Aodi Zhang, Yu-Li Yan, Hongxia Yan, Zhenzhen Feng, Wentao Wang
Read original paper ↗ ·The rational design of high-performance graphene-based single-atom electrocatalysts for the ORR using machine learning
Physical Chemistry Chemical Physics · 2023-01-01
Ziqiang Chen, Hexiang Qi, Haohao Wang, Caiwei Yue, Yangqiu Liu, Zuoyin Yang, Min Pu, Ming Lei
Read original paper ↗ ·Curvature effect on graphene-based Co/Ni single-atom catalysts
Applied Surface Science · 2023-01-09
Shuaihao Tang, Liang Xu, Kejun Dong, Qichen Wang, Jian Zeng, Xin You Huang, Haotian Li, Libin Xia, Lingling Wang
Read original paper ↗ ·Rational Design of Atomically Dispersed Metal Site Electrocatalysts for Oxygen Reduction Reaction
Advanced Science · 2023-01-30
Kechuang Wan, Tiankuo Chu, Bing Li, Pingwen Ming, Cunman Zhang
Read original paper ↗ ·Tuning the Coordination Environment of Carbon‐Based Single‐Atom Catalysts via Doping with Multiple Heteroatoms and Their Applications in Electrocatalysis
Advanced Materials · 2023-02-13
Zhijie Qi, Yan Zhou, Runnan Guan, Yongsheng Fu, Jong‐Beom Baek
Read original paper ↗ ·High‐Throughput Screening of Electrocatalysts for Nitrogen Reduction Reactions Accelerated by Interpretable Intrinsic Descriptor
Angewandte Chemie International Edition · 2023-03-09
Xiaoyun Lin, Yongtao Wang, Xin Chang, Shiyu Zhen, Zhi‐Jian Zhao, Jinlong Gong
Read original paper ↗ ·High‐Throughput Screening of Electrocatalysts for Nitrogen Reduction Reactions Accelerated by Interpretable Intrinsic Descriptor
Angewandte Chemie · 2023-03-09
Xiaoyun Lin, Yongtao Wang, Xin Chang, Shiyu Zhen, Zhi‐Jian Zhao, Jinlong Gong
Read original paper ↗ ·Aramid-based highly conductive composite films by incorporating graphene for electromagnetic interference shielding and Joule heating applications
Composites Science and Technology · 2023-03-11
Chunjie Xie, Yuwen Fang, Yuexi Chen, Jing Liu, Zhao‐Xia Guo, Xiangyang Hao, Chun Li, Xinlin Tuo
Read original paper ↗ ·High throughput screening of single atomic catalysts with optimized local structures for the electrochemical oxygen reduction by machine learning
Journal of Energy Chemistry · 2023-03-13
Hao Sun, Yizhe Li, Liyao Gao, Mengyao Chang, Xiangrong Jin, Boyuan Li, Qingzhen Xu, Wen Liu, Mingyue Zhou, Xiaoming Sun
Read original paper ↗ ·Building up a general selection strategy and catalytic performance prediction expressions of heteronuclear double-atom catalysts for N2 reduction
Journal of Energy Chemistry · 2023-03-29
Yibo Wu, Cheng He, Wenxue Zhang
Read original paper ↗ ·Recent advances in developing multiscale descriptor approach for the design of oxygen redox electrocatalysts
iScience · 2023-04-08
Dantong Zhang, Qi Zhang, Chao Peng, Zhi Long, Gui‐Lin Zhuang, Denis Kramer, Sridhar Komarneni, Chunyi Zhi, Dongfeng Xue
Read original paper ↗ ·Review of Carbon Support Coordination Environments for Single Metal Atom Electrocatalysts (SACS)
Advanced Materials · 2023-04-20
Wanqing Song, Caixia Xiao, Jia Ding, Zechuan Huang, Xinyi Yang, Tao Zhang, David Mitlin, Wenbin Hu
Read original paper ↗ ·Prediction of sintered density of binary W(Mo) alloys using machine learning
Rare Metals · 2023-05-02
He-Xiong Liu, Yunfei Yang, Yongfeng Cai, Chang-hao Wang, Chen Lai, Yaowu Hao, Jinshu Wang
Read original paper ↗ ·M-N 4 -Gr/MXene Heterojunction Nanosheets as Oxygen Reduction and Evolution Reaction Catalysts: Machine Learning and Density Functional Theory Insights
ACS Applied Nano Materials · 2023-05-03
Yunjian Chen, Hong Cui, Qi Jiang, Xue Bai, Pengyue Shan, Zepeng Jia, Sen Kai Lu, Pei Song, Rong Feng, Qin Kang, Zhiyong Liang, Hongkuan Yuan
Read original paper ↗ ·Optimization of cathode catalyst layer of membrane electrode assembly for polymer electrolyte fuel cells using machine learning
Journal of Power Sources · 2023-05-03
Toru Uenishi, Rui Imoto
Read original paper ↗ ·Machine learning screening of high-performance single-atom electrocatalysts for two-electron oxygen reduction reaction
Journal of Colloid and Interface Science · 2023-05-09
Xuqian Zhang, Jiming Liu, Rui Li, Xuan Jian, Xiaoming Gao, Zhongli Lu, Xiuping Yue
Read original paper ↗ ·High-Throughput Screening of Gas Sensor Materials for Decomposition Products of Eco-Friendly Insulation Medium by Machine Learning
ACS Sensors · 2023-05-12
Xuhao Wan, Wei Yu, Anyang Wang, Xiting Wang, John Robertson, Zhaofu Zhang, Yuzheng Guo
Read original paper ↗ ·Machine Learning Descriptors for Data‐Driven Catalysis Study
Advanced Science · 2023-05-16
Li-Hui Mou, T.-T. Han, Pieter E. S. Smith, Edward H. Sharman, Jun Jiang
Read original paper ↗ ·A Surrogate Machine Learning Model for the Design of Single-Atom Catalyst on Carbon and Porphyrin Supports towards Electrochemistry
The Journal of Physical Chemistry C · 2023-05-19
Mohsen Tamtaji, Shuguang Chen, Ziyang Hu, William A. Goddard, GuanHua Chen
Read original paper ↗ ·Non-noble metal single atom catalysts for electrochemical energy conversion reactions
CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) · 2023-07-01
Sang Eon Jun, Sungkyun Choi, Jaehyun Kim, Ki Chang Kwon, Sun Hwa Park, Ho Won Jang
Read original paper ↗ ·Experimental and numerical analysis of a catalyst layer in the membrane electrode assembly of polymer electrolyte membrane fuel cells
Journal of Power Sources · 2023-07-19
Toru Uenishi, Rui Imoto
Read original paper ↗ ·First‐Row Transition Metals for Catalyzing Oxygen Redox
Small · 2023-07-19
Hengwei Wang, Yu Pei, Keliang Wang, Yayu Zuo, Manhui Wei, Jianyin Xiong, Pengfei Zhang, Zhuo Chen, Nuo Shang, Daiyuan Zhong, Pucheng Pei
Read original paper ↗ ·Metal-Doped C 3 B Monolayer as the Promising Electrocatalyst for Hydrogen/Oxygen Evolution Reaction: A Combined Density Functional Theory and Machine Learning Study
ACS Applied Materials & Interfaces · 2023-08-18
Chen Chen, Bo Xiao, Zhengkun Qin, Jingxiang Zhao, Wenzuo Li, Qingzhong Li, Xue-fang Yu
Read original paper ↗ ·Theoretical investigation on the bifunctional hydrogen/oxygen electrode catalysis in Cd–N–C-doped graphene systems regulated by the active center configuration
International Journal of Hydrogen Energy · 2023-08-28
Chao Liu, Luya Jin, Meiling Liu, Daomiao Wang, Tao Xu, Arunchander Asokan, Jayaraman Balamurugan, Shaik Gouse Peera
Read original paper ↗ ·Advancements in High‐Throughput Screening and Machine Learning Design for 2D Ferromagnetism: A Comprehensive Review
Advanced Theory and Simulations · 2023-08-31
Chao Xin, Bingqian Song, Guangyong Jin, Yongli Song, Feng Ming Pan
Read original paper ↗ ·Catalytic reactivity descriptors of metal‐nitrogen‐doped carbon catalysts for electrocatalysis
EcoEnergy · 2023-09-01
Hong Liu, Jiejie Li, Jordi Arbiol, Bo Yang, Pengyi Tang
Read original paper ↗ ·Transforming main-group elements into highly active single-atom electrocatalysts for oxygen reduction reactions
Electrochimica Acta · 2023-09-19
Qi Sun, Chengyi Zhang, Yu Mao, Ruihu Lu, Qiu He, Yan Zhao
Read original paper ↗ ·The importance of surface coverages in the rational design of electrocatalysts
Current Opinion in Electrochemistry · 2023-09-28
Anna Ciotti, Max García Melchor
Read original paper ↗ ·From prediction to design: Recent advances in machine learning for the study of 2D materials
Nano Energy · 2023-10-04
Hua He, Yuhua Wang, Yajuan Qi, Zichao Xu, Yue Li, Yumei Wang
Read original paper ↗ ·Machine-Learning-Accelerated Screening of Double-Atom/Cluster Electrocatalysts for the Oxygen Reduction Reaction
The Journal of Physical Chemistry C · 2023-10-05
Yuhong Luo, Xiaohang Du, Lanlan Wu, Yanji Wang, Jingde Li, Luis Ricardez‐Sandoval
Read original paper ↗ ·MatGPT: A Vane of Materials Informatics from Past, Present, to Future
Advanced Materials · 2023-10-09
Zhilong Wang, An Chen, Kehao Tao, Yanqiang Han, Jinjin Li
Read original paper ↗ ·Machine Learning-Assisted Low-Dimensional Electrocatalysts Design for Hydrogen Evolution Reaction
Nano-Micro Letters · 2023-10-13
Jin Li, Naiteng Wu, Jian Zhang, Hong‐Hui Wu, Kunming Pan, Yingxue Wang, Guilong Liu, Xianming Liu, Zhenpeng Yao, Qiaobao Zhang
Read original paper ↗ ·Single‐Atom Heterogeneous Catalysts: Human‐ and AI‐Driven Platform for Augmented Designs, Analytics and Reality‐Enabled Manufacturing
Angewandte Chemie International Edition · 2023-10-27
Lei Cheng, Yawen Tang, Kostya Ostrikov, Quanjun Xiang
Read original paper ↗ ·