Papers citing Directly predicting limiting potentials from easily obtainable physical properties of graphene-supported single-atom electrocatalysts by machine learning
Theoretical investigation on catalytic mechanisms of oxygen reduction and carbon monoxide oxidation on the MnN x system
New Journal of Chemistry · 2020
Mingming Luo, Zhao Liang, Mingwei W. Chen, Chao Liu, Xiaopeng Qi, Shaik Gouse Peera, Juan Liu, Tongxiang Liang
Read original paper ↗ ·Transition metal–N 4 embedded black phosphorus carbide as a high-performance bifunctional electrocatalyst for ORR/OER
Nanoscale · 2020
Dachang Chen, Zhiwen Chen, Zhuole Lu, Xiaoxing Zhang, Ju Tang, Chandra Veer Singh
Read original paper ↗ ·Coupling a Crystal Graph Multilayer Descriptor to Active Learning for Rapid Discovery of 2D Ferromagnetic Semiconductors/Half‐Metals/Metals
Advanced Materials · 2020
Shuaihua Lu, Qionghua Zhou, Yilv Guo, Yehui Zhang, Yilei Wu, Jinlan Wang
Read original paper ↗ ·All Boron Atoms in a ScB12 Monolayer Contribute to the Hydrogen Evolution Reaction
The Journal of Physical Chemistry C · 2020
Changyan Zhu, Huimin Chen, Cong Wang, Min Zhang, Yun Geng, Quan Li, Zhong‐Min Su
Read original paper ↗ ·Theoretical Understandings of Graphene-based Metal Single-Atom Catalysts: Stability and Catalytic Performance
Chemical Reviews · 2020
Hongying Zhuo, Xin Yu Zhang, Jinxia Liang, Qi Yu, Hai Yan Xiao, Jun Li
Read original paper ↗ ·Coordination Engineering of Single‐Atom Catalysts for the Oxygen Reduction Reaction: A Review
Advanced Energy Materials · 2020
Jincheng Zhang, Hongbin Yang, Bin Liu
Read original paper ↗ ·Design of Single Atom Catalysts
Advances in Physics X · 2021
Zuran Yu, Haoxiang Xu, Daojian Cheng
Read original paper ↗ ·Multimetallic nanostructures for electrocatalytic oxygen evolution reaction in acidic media
Materials Chemistry Frontiers · 2021
Taekyung Kim, Byeongyoon Kim, Taehyun Kwon, Ho Young Kim, Jin Young Kim, Kwangyeol Lee
Read original paper ↗ ·Recent Progress on Two-Dimensional Materials
Acta Physico-Chimica Sinica · 2021
Cheng Chang, Wei Chen, Ye Chen, Yonghua Chen, Yu Chen, Feng Ding, Chunhai Fan, Hong Jin Fan, Zhanxi Fan, Cheng Gong, Yongji Gong, Qiyuan He, Xun Hong, Sheng Yao Hu, Weida Hu, Wei Huang, Yuan Huang, Wei Ji, Dehui Li, Lain‐Jong Li, Qiang Li, Li Lin, Chongyi Ling, Minghua Liu, Nan Liu, Zhuang Liu, Kian Ping Loh, Jianmin Ma, Feng Miao, Hailin Peng, Mingfei Shao, Li Song, Shao Su, Shuo Sun, Chaoliang Tan, Zhiyong Tang, Dingsheng S. Wang, Huan Wang, Xinran Wang, Xin Wang, Xinran Wang, Andrew T. S. Wee, Zhongming Wei, Yuen Shing Wu, Zhong‐Shuai Wu, Jie Xiong, Qihua Xiong, Weigao Xu, Peng Yin, Haibo Zeng, Zhiyuan Zeng, Tianyou Zhai, Han Zhang, Hui Zhang, Qichun Zhang, Tierui Zhang, Xiang Zhang, Li‐Dong Zhao, Meiting Zhao, Weijie Zhao, Yunxuan Zhao, Kai‐Ge Zhou, Xing Zhou, Yu Ren Zhou, Hongwei Zhu, Hua Zhang, Zhongfan Liu
Read original paper ↗ ·Unravelling the origin of bifunctional OER/ORR activity for single-atom catalysts supported on C 2 N by DFT and machine learning
Journal of Materials Chemistry A · 2021
Yiran Ying, Ke Fan, Xin Luo, Jinli Qiao, Haitao Huang
Read original paper ↗ ·Energy parameter and electronic descriptor for carbon based catalyst predicted using QM/ML
Applied Catalysis B: Environmental · 2021
Samadhan Kapse, Shazia Janwari, Umesh Vasudeo Waghmare, Ranjit Thapa
Read original paper ↗ ·Rh@C8N8 monolayer as a promising single-atom-catalyst for overall water splitting
Applied Surface Science · 2021
Huimin Chen, Changyan Zhu, Chaoxia Wen, Miao Wang, Min Zhang, Yun Geng, Zhong‐Min Su
Read original paper ↗ ·High-Throughput Screening of a Single-Atom Alloy for Electroreduction of Dinitrogen to Ammonia
ACS Applied Materials & Interfaces · 2021
Guokui Zheng, Yanle Li, Qian Feng Xu, Ge Yao, Ziqi Tian, Xingwang Zhang, Liang Chen
Read original paper ↗ ·Machine learning-accelerated prediction of overpotential of oxygen evolution reaction of single-atom catalysts
iScience · 2021
Lianping Wu, Tian Guo, Teng Li
Read original paper ↗ ·Accelerating Optimizing the Design of Carbon‐based Electrocatalyst via Machine Learning
Electroanalysis · 2021
Zhuochen Yu, Weimin Huang
Read original paper ↗ ·Engineering the Local Coordination Environment of Single-Atom Catalysts and Their Applications in Photocatalytic Water Splitting: A Review
Transactions of Tianjin University · 2021
Hongli Sun, Yunfei Ma, Qitao Zhang, Chenliang Su
Read original paper ↗ ·Encoding the atomic structure for machine learning in materials science
Wiley Interdisciplinary Reviews Computational Molecular Science · 2021
Shunning Li, Yuanji Liu, Dong Chen, Yi Jiang, Zhiwei Nie, Feng Pan
Read original paper ↗ ·Computation of the Thermal Expansion Coefficient of Graphene with Gaussian Approximation Potentials
The Journal of Physical Chemistry C · 2021
İlker Demiroğlu, Yenal Karaaslan, Tuğbey Kocabaş, Murat Keçeli, Álvaro Vázquez‐Mayagoitia, Cem Sevik
Read original paper ↗ ·Applying Machine Learning to Rechargeable Batteries: From the Microscale to the Macroscale
Angewandte Chemie International Edition · 2021
Xiang Chen, Xinyan Liu, Xin Pu Shen, Qiang Zhang
Read original paper ↗ ·Applying Machine Learning to Rechargeable Batteries: From the Microscale to the Macroscale
Angewandte Chemie · 2021
Xiang Chen, Xinyan Liu, Xin Pu Shen, Qiang Zhang
Read original paper ↗ ·Noble-Metal-Free Multicomponent Nanointegration for Sustainable Energy Conversion
Chemical Reviews · 2021
Haijiao Lu, Julie Tournet, Kamran Dastafkan, Yun Liu, Yun Hau Ng, Siva Krishna Karuturi, Chuan Zhao, Zongyou Yin
Read original paper ↗ ·Linear and nonlinear machine learning correlation of transition metal cluster characteristics
Journal of Nanoparticle Research · 2021
Alireza Kokabi, Zahra Nasiri Mahd, Zohreh Naghibi
Read original paper ↗ ·Recent Progress on Structurally Ordered Materials for Electrocatalysis
Advanced Energy Materials · 2021
Hainan Sun, Sanzhao Song, Xiaomin Xu, Jie Dai, Jie Yu, Wei Zhou, Zongping Shao, WooChul Jung
Read original paper ↗ ·CO2 Adsorptions on d-Block-Metal-Doped Nickel Nanoparticles: Unexpected Adsorption Configurations Predicted by Machine Intelligence
The Journal of Physical Chemistry C · 2021
Shiru Lin, Chong Teng, Junwei Lucas Bao
Read original paper ↗ ·Machine Learning in Screening High Performance Electrocatalysts for CO2 Reduction
Small Methods · 2021
Ning Zhang, Baopeng Yang, Kang Liu, Hongmei Li, Gen Chen, Xiaoqing Qiu, Wenzhang Li, Junhua Hu, Junwei Fu, Yong Jiang, Min Liu, Jinhua Ye
Read original paper ↗ ·Accelerated Discovery of Single‐Atom Catalysts for Nitrogen Fixation via Machine Learning
Energy & environment materials · 2021
Sheng Zhang, Shuaihua Lu, Peng Zhang, Jianxiong Tian, Li Shi, Chongyi Ling, Qionghua Zhou, Jinlan Wang
Read original paper ↗ ·Data-driven design and controllable synthesis of Pt/carbon electrocatalysts for H2 evolution
iScience · 2021
Anhui Zheng, Yuxuan Wang, Fangfei Zhang, Chunnian He, Shan Zhu, Naiqin Zhao
Read original paper ↗ ·Theory-oriented screening and discovery of advanced energy transformation materials in electrocatalysis
Advanced Powder Materials · 2021
Hongyu Jing, Peng Zhu, Xiaobo Zheng, Zedong Zhang, Dingsheng S. Wang, Yadong Li
Read original paper ↗ ·Targeted design of advanced electrocatalysts by machine learning
CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) · 2021
Letian Chen, Xu Zhang, An Chen, Sai Yao, Xu Hu, Zhen Ping Zhou
Read original paper ↗ ·Discovery of Lead‐Free Perovskites for High‐Performance Solar Cells via Machine Learning: Ultrabroadband Absorption, Low Radiative Combination, and Enhanced Thermal Conductivities
Advanced Science · 2021
Xia Cai, Yiming Zhang, Zejiao Shi, Ying Chen, Yujie Xia, Anran Yu, Yuanfeng Xu, Fengxian Xie, Hezhu Shao, Heyuan Zhu, Desheng Fu, Yiqiang Zhan, Hao Zhang
Read original paper ↗ ·A theoretical roadmap for the best oxygen reduction activity in two-dimensional transition metal tellurides
Chemical Science · 2022
Xin Li Yang, Hanyu Liu, Zexing Qu, Yu Xie, Yanming Ma
Read original paper ↗ ·Gradient Boosting Algorithm for Current-Voltage Prediction of Fuel Cells
Electrochimica Acta · 2022
Jihyeon Park, Jaeyoung Lee
Read original paper ↗ ·Machine learning for design principles for single atom catalysts towards electrochemical reactions
Journal of Materials Chemistry A · 2022
Mohsen Tamtaji, Hanyu Gao, Md Delowar Hossain, Patrick Ryan Galligan, Hoilun Wong, Zhenjing Liu, Hongwei Liu, Yuting Cai, William A. Goddard, Zhengtang Luo
Read original paper ↗ ·Machine Learning Utilized for the Development of Proton Exchange Membrane Electrolyzers
Journal of Power Sources · 2022
Rui Fang Ding, Yawen Chen, Zhiyan Rui, Kang Hua, Yongkang Wu, Xiaoke Li, Xiao Duan, Jia Li, Xuebin Wang, Jianguo Liu
Read original paper ↗ ·Revealing the Oxygen Reduction/Evolution Reaction Activity Origin of Carbon-Nitride-Related Single-Atom Catalysts: Quantum Chemistry in Artificial Intelligence
Chemical Engineering Journal · 2022
Xuhao Wan, Wei Yu, Huan Niu, Xiting Wang, Zhaofu Zhang, Yuzheng Guo
Read original paper ↗ ·Theoretically revealing the activity origin of the hydrogen evolution reaction on carbon-based single-atom catalysts and finding ideal catalysts for water splitting
Journal of Materials Chemistry A · 2022
Yiran Wang, Xiaoya Huang, Hanwei Fu, Jiaxiang Shang
Read original paper ↗ ·Toward Excellence of Electrocatalyst Design by Emerging Descriptor‐Oriented Machine Learning
Advanced Functional Materials · 2022
Jianwen Liu, Wenzhi Luo, Lei Wang, Jiujun Zhang, Xian‐Zhu Fu, Jing‐Li Luo
Read original paper ↗ ·Establishing the Principal Descriptor for Electrochemical Urea Production via the Dispersed Dual‐Metals Anchored on the N‐Decorated Graphene
Advanced Science · 2022
Changyan Zhu, Miao Wang, Chaoxia Wen, Min Zhang, Yun Geng, Guangshan Zhu, Zhong‐Min Su
Read original paper ↗ ·Modulating the Local Coordination Environment of Single‐Atom Catalysts for Enhanced Catalytic Performance in Hydrogen/Oxygen Evolution Reaction
Small · 2022
Gracita M. Tomboc, Taekyung Kim, Sangmin Jung, Hyo Jae Yoon, Kwangyeol Lee
Read original paper ↗ ·Introduction to Supported Metal Single Atom Catalysis
Venue not supplied by source · 2022
Doan Pham Minh, Philippe Serp
Read original paper ↗ ·A first-principles study on the electrochemical reaction activity of 3d transition metal single-atom catalysts in nitrogen-doped graphene: Trends and hints
eScience · 2022
Caiyan Zheng, Xu Zhang, Zhen Ping Zhou, Zhenpeng Hu
Read original paper ↗ ·Deep dive into machine learning density functional theory for materials science and chemistry
Physical Review Materials · 2022
Lenz Fiedler, Karan Shah, Michael Bußmann, Attila Cangi
Read original paper ↗ ·An accurate and general local electronic structural descriptor for oxygen reduction on metal surface alloys: Potential of breaking scaling relationship and application to PtZn ones with superior activity
Applied Surface Science · 2022
Bo-Ying Huang, Jia-Qi Tan, Cai-Jian Zhang, Xi‐Bo Li
Read original paper ↗ ·Ligands dependent electrocatalytic nitrogen reduction performance in d-π conjugated molecules
Applied Surface Science · 2022
Yuxing Lin, Yizhao Feng, Hui Zhou, Ying Mei Han, Hui Gang Sun, Li Shi, Lijuan Meng, Min Zhou, Yongjun Liu, Xiuyun Zhang
Read original paper ↗ ·Experimental and Theoretical Advances on Single Atom and Atomic Cluster‐Decorated Low‐Dimensional Platforms towards Superior Electrocatalysts
Advanced Energy Materials · 2022
Tianwei He, Alain R. Puente Santiago, Shiyu Xia, Md Ariful Ahsan, Guobao Xu, Rafael Luque
Read original paper ↗ ·Recent progress towards a universal machine learning model for reaction energetics in heterogeneous catalysis
Current Opinion in Chemical Engineering · 2022
Gloria A Sulley, M. M. Montemore
Read original paper ↗ ·Universal Principles for the Rational Design of Single Atom Electrocatalysts? Handle with Care
ACS Catalysis · 2022
Giovanni Di Liberto, Luis A. Cipriano, Gianfranco Pacchioni
Read original paper ↗ ·Data‐Driven High‐Throughput Rational Design of Double‐Atom Catalysts for Oxygen Evolution and Reduction
Advanced Functional Materials · 2022
Lianping Wu, Tian Guo, Teng Li
Read original paper ↗ ·Application of Machine Learning in Optimizing Proton Exchange Membrane Fuel Cells: A Review
Energy and AI · 2022
Rui Fang Ding, Shiqiao Zhang, Yawen Chen, Zhiyan Rui, Kang Hua, Yongkang Wu, Xiaoke Li, Xiao Duan, Xuebin Wang, Jianguo Liu, Jianguo Liu
Read original paper ↗ ·Understanding the structure-performance relationship of active sites at atomic scale
Nano Research · 2022
Runze Li, Dingsheng S. Wang
Read original paper ↗ ·