Работы, на которые ссылается эта работа

Работ: 200

Работа: Accelerating single-atom ORR catalyst discovery through theory and machine learning: a critical review

Single transition metal atom embedded antimonene monolayers as efficient trifunctional electrocatalysts for the HER, OER and ORR: a density functional theory study
Song Lu, Huong Lan Huynh, Fengliu Lou +2
Статья2021Цитирований: 2
ABI
Accelerating the structure search of catalysts with machine learning
Eric Musa, FRANCIS DOHERTY, Bryan R. Goldsmith
Статья2021Цитирований: 2
ABI
Recent advancements in Pt and Pt-free catalysts for oxygen reduction reaction
Yao Nie, Li Li, Zidong Wei
Обзорная статья2015Цитирований: 2
ABI
Nanoscale Structure Design for High‐Performance Pt‐Based ORR Catalysts
Meiling Liu, Zipeng Zhao, Xiangfeng Duan +1
Обзорная статья2018Цитирований: 2
ABI
Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab
Martin Seifrid, Robert Pollice, Andrés Aguilar‐Granda +6
Статья2022Цитирований: 2
ABI
Self-Driving Laboratories for Chemistry and Materials Science
Gary Tom, Stefan P. Schmid, Sterling G. Baird +13
Обзорная статья2024Цитирований: 2
ABI
Advancement of Platinum (Pt)-Free (Non-Pt Precious Metals) and/or Metal-Free (Non-Precious-Metals) Electrocatalysts in Energy Applications: A Review and Perspectives
Mahesh Datt Bhatt, Jin Yong Lee
Обзорная статья2020Цитирований: 2
ABI
Role of atomic substitution in first coordination shell of Fe–N–C single atom catalyst towards oxygen reduction reaction: A theoretical study
Monika Singh, Dipak K. Das, Anuj Kumar
Статья2024Цитирований: 2
ABI
Tailoring of Fe-N-C single atom catalyst's coordination spheres via S-doping for oxygen reduction reaction activity: a DFT study
Monika Singh, Dipak K. Das, Anuj Kumar
Статья2025Цитирований: 2
ABI
Без названия
ДругоеЦитирований: 2
ABI
Machine learning in computational chemistry: interplay between (non)linearity, basis sets, and dimensionality
Sergei Manzhos, Shunsaku Tsuda, Manabu Ihara
Обзорная статья2022Цитирований: 2
ABI
A general-purpose machine learning framework for predicting properties of inorganic materials
Logan Ward, Ankit Agrawal, Alok Choudhary +1
Статья2016Цитирований: 2
ABI
Single-Atom Catalysts Based on the Metal–Oxide Interaction
Rui Lang, Xiaorui Du, Yike Huang +7
Обзорная статья2020Цитирований: 2
ABI
Density Functional Theory for Battery Materials
Qiu He, Bin Yu, Zhaohuai Li +1
Статья2019Цитирований: 2
ABI
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
Jess Wellendorff, Keld T. Lundgaard, Andreas Møgelhøj +5
Статья2012Цитирований: 2
ABI
Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning
Aditya Nandy, Chenru Duan, Michael G. Taylor +3
Обзорная статья2021Цитирований: 2
ABI
Powered by DFT: Screening Methods That Accelerate Materials Development for Hydrogen in Metals Applications
Kelly M. Nicholson, Nita Chandrasekhar, David S. Sholl
Статья2014Цитирований: 2
ABI
Molecular electrocatalysts for the oxygen reduction reaction
Subal Dey, Biswajit Mondal, Sudipta Chatterjee +3
Обзорная статья2017Цитирований: 2
ABI
An improved d-band model of the catalytic activity of magnetic transition metal surfaces
Satadeep Bhattacharjee, Umesh V. Waghmare, Seung‐Cheol Lee
Статья2016Цитирований: 2
ABI
Carbon-based single atom catalysts for tailoring the ORR pathway: a concise review
Jinwen Hu, Wei Liu, Cuncun Xin +6
Обзорная статья2021Цитирований: 2
ABI
Descriptors for the Evaluation of Electrocatalytic Reactions: d‐Band Theory and Beyond
Shilong Jiao, Xianwei Fu, Hongwen Huang
Статья2021Цитирований: 2
ABI
Oxygen Evolution/Reduction Reaction Catalysts: From <i>In Situ</i> Monitoring and Reaction Mechanisms to Rational Design
Yonggui Zhao, Devi Prasad Adiyeri Saseendran, Chong Huang +5
Обзорная статья2023Цитирований: 2
ABI
Defects in Carbon-Based Materials for Electrocatalysis: Synthesis, Recognition, and Advances
Yi Jia, Xiangdong Yao
Статья2023Цитирований: 2
ABI
Machine Learning Descriptors for Data‐Driven Catalysis Study
Li-Hui Mou, TianTian Han, Pieter E. S. Smith +2
Обзорная статья2023Цитирований: 2
ABI
Unified ORR mechanism criteria <i>via</i> charge–spin–coordination of Fe functional units
Kexin Song, Bin Yang, Xu Zou +2
Статья2023Цитирований: 2
ABI