相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Iridium oxide nanoribbons with metastable monoclinic phase for highly efficient electrocatalytic oxygen evolution
Fan Liao et al.
NATURE COMMUNICATIONS (2023)
Accelerating the structure search of catalysts with machine learning
Eric Musa et al.
CURRENT OPINION IN CHEMICAL ENGINEERING (2022)
The XtalOpt Evolutionary Algorithm for Crystal Structure Prediction
Zackary Falls et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2021)
Iridium metallene oxide for acidic oxygen evolution catalysis
Qian Dang et al.
NATURE COMMUNICATIONS (2021)
Data-Driven Discovery and Synthesis of High Entropy Alloy Hydrides with Targeted Thermodynamic Stability
Matthew Witman et al.
CHEMISTRY OF MATERIALS (2021)
Atomistic Line Graph Neural Network for improved materials property predictions
Kamal Choudhary et al.
NPJ COMPUTATIONAL MATERIALS (2021)
Extraordinary acidic oxygen evolution on new phase 3R-iridium oxide
Zhenglong Fan et al.
JOULE (2021)
First-principles simulation of oxygen evolution reaction (OER) catalytic performance of IrO2 bulk-like structures: Nanosphere, nanowire and nanotube
Zhuoan Cui et al.
APPLIED SURFACE SCIENCE (2021)
Machine Learning Guided Synthesis of Multinary Chevrel Phase Chalcogenides
Nicholas R. Singstock et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)
Benchmarking graph neural networks for materials chemistry
Victor Fung et al.
NPJ COMPUTATIONAL MATERIALS (2021)
A geometric-information-enhanced crystal graph network for predicting properties of materials
Jiucheng Cheng et al.
COMMUNICATIONS MATERIALS (2021)
Role of Defects in the Interplay between Adsorbate Evolving and Lattice Oxygen Mechanisms of the Oxygen Evolution Reaction in RuO2 and IrO2
Alexandra Zagalskaya et al.
ACS CATALYSIS (2020)
Pt Dopant: Controlling the Ir Oxidation States toward Efficient and Durable Oxygen Evolution Reaction in Acidic Media
Songa Choi et al.
ADVANCED FUNCTIONAL MATERIALS (2020)
Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction
Raul A. Flores et al.
CHEMISTRY OF MATERIALS (2020)
Closest Packing Polymorphism Interfaced Metastable Transition Metal for Efficient Hydrogen Evolution
Xinyue Tan et al.
ADVANCED MATERIALS (2020)
Combining Machine Learning Potential and Structure Prediction for Accelerated Materials Design and Discovery
Qunchao Tong et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Analysis of Acid-Stable and Active Oxides for the Oxygen Evolution Reaction
G. T. Kasun Kalhara Gunasooriya et al.
ACS ENERGY LETTERS (2020)
Breaking Long-Range Order in Iridium Oxide by Alkali Ion for Efficient Water Oxidation
Jiajian Gao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Chi Chen et al.
CHEMISTRY OF MATERIALS (2019)
Considerations for the scaling-up of water splitting catalysts
Jakob Kibsgaard et al.
NATURE ENERGY (2019)
Toward a Design of Active Oxygen Evolution Catalysts: Insights from Automated Density Functional Theory Calculations and Machine Learning
Seoin Back et al.
ACS CATALYSIS (2019)
Nanoporous Iridium -Based Alloy Nanowires as Highly Efficient Electrocatalysts Toward Acidic Oxygen Evolution Reaction
Ying Wang et al.
ACS APPLIED MATERIALS & INTERFACES (2019)
Crystal Structure Prediction via Deep Learning
Kevin Ryan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Machine Learning Directed Search for Ultraincompressible, Superhard Materials
Aria Mansouri Tehrani et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
Sten Haastrup et al.
2D MATERIALS (2018)
Measurements of Oxygen Electroadsorption Energies and Oxygen Evolution Reaction on RuO2(110): A Discussion of the Sabatier Principle and Its Role in Electrocatalysis
Ding-Yuan Kuo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Efficient oxygen evolution electrocatalysis in acid by a perovskite with face-sharing IrO6 octahedral dimers
Lan Yang et al.
NATURE COMMUNICATIONS (2018)
The stability number as a metric for electrocatalyst stability benchmarking
Simon Geiger et al.
NATURE CATALYSIS (2018)
A unique oxygen ligand environment facilitates water oxidation in hole-doped IrNiOx core-shell electrocatalysts
Hong Nhan Nong et al.
NATURE CATALYSIS (2018)
Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution
Alexis Grimaud et al.
NATURE CHEMISTRY (2017)
Balancing activity, stability and conductivity of nanoporous core-shell iridium/iridium oxide oxygen evolution catalysts
Yong-Tae Kim et al.
NATURE COMMUNICATIONS (2017)
Defect-Engineered Ultrathin δ-MnO2 Nanosheet Arrays as Bifunctional Electrodes for Efficient Overall Water Splitting
Yunxuan Zhao et al.
ADVANCED ENERGY MATERIALS (2017)
Orientation-Dependent Oxygen Evolution on RuO2 without Lattice Exchange
Kelsey A. Stoerzinger et al.
ACS ENERGY LETTERS (2017)
Statistical Analysis of Coordination Environments in Oxides
David Waroquiers et al.
CHEMISTRY OF MATERIALS (2017)
High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds
Anton O. Oliynyk et al.
CHEMISTRY OF MATERIALS (2016)
Comprehensive genetic algorithm for ab initio global optimisation of clusters
Jijun Zhao et al.
MOLECULAR SIMULATION (2016)
A highly active and stable IrOx/SrIrO3 catalyst for the oxygen evolution reaction
Linsey C. Seitz et al.
SCIENCE (2016)
N-doped graphene as catalysts for oxygen reduction and oxygen evolution reactions: Theoretical considerations
Mingtao Li et al.
JOURNAL OF CATALYSIS (2014)
Orientation-Dependent Oxygen Evolution Activities of Rutile IrO2 and RuO2
Kelsey A. Stoerzinger et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Double perovskites as a family of highly active catalysts for oxygen evolution in alkaline solution
Alexis Grimaud et al.
NATURE COMMUNICATIONS (2013)
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Anubhav Jain et al.
APL MATERIALS (2013)
CALYPSO: A method for crystal structure prediction
Yanchao Wang et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
Synthesis and Activities of Rutile IrO2 and RuO2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions
Youngmin Lee et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
Isabela C. Man et al.
CHEMCATCHEM (2011)
XTALOPT: An open-source evolutionary algorithm for crystal structure prediction
David C. Lonie et al.
COMPUTER PHYSICS COMMUNICATIONS (2011)
Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis
Marc T. M. Koper
JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2011)
Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110)
Ya-Hui Fang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Ab-initio simulations of materials using VASP: Density-functional theory and beyond
Juergen Hafner
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Electrolysis of water on oxide surfaces
J. Rossmeisl et al.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2007)
USPEX - Evolutionary crystal structure prediction
Colin W. Glass et al.
COMPUTER PHYSICS COMMUNICATIONS (2006)
Recent developments in understanding factors of electrocatalysis
E. Guerrini et al.
RUSSIAN JOURNAL OF ELECTROCHEMISTRY (2006)
High-pressure and high-temperature synthesis of a cubic IrO2 polymorph
S Ono et al.
PHYSICA B-CONDENSED MATTER (2005)
Origin of the overpotential for oxygen reduction at a fuel-cell cathode
JK Norskov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)