Related references
Note: Only part of the references are listed.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)
Directly predicting limiting potentials from easily obtainable physical properties of graphene-supported single-atom electrocatalysts by machine learning
Shiru Lin et al.
JOURNAL OF MATERIALS CHEMISTRY A (2020)
Predicting Chemical Reaction Barriers with a Machine Learning Model
Aayush R. Singh et al.
CATALYSIS LETTERS (2019)
Machine Learning for Computational Heterogeneous Catalysis
Philomena Schlexer Lamoureux et al.
CHEMCATCHEM (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)
Using Artificial Intelligence To Forecast Water Oxidation Catalysts
Regina Palkovits et al.
ACS CATALYSIS (2019)
From DFT to machine learning: recent approaches to materials science-a review
Gabriel R. Schleder et al.
JOURNAL OF PHYSICS-MATERIALS (2019)
An essential descriptor for the oxygen evolution reaction on reducible metal oxide surfaces
Xiang Huang et al.
CHEMICAL SCIENCE (2019)
Structural and Electronic Descriptors of Catalytic Activity of Graphene-Based Materials: First-Principles Theoretical Analysis
S. Sinthika et al.
SMALL (2018)
Machine learning for heterogeneous catalyst design and discovery
Bryan R. Goldsmith et al.
AICHE JOURNAL (2018)
Material descriptors for photocatalyst/catalyst design
Xijun Wang et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
Oxygen Evolution Reaction on Nitrogen-Doped Defective Carbon Nanotubes and Graphene
Garold Murdachaew et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Interaction trends between single metal atoms and oxide supports identified with density functional theory and statistical learning
Nolan J. O'Connor et al.
NATURE CATALYSIS (2018)
Adsorption of CO on Low-Energy, Low-Symmetry Pt Nanoparticles: Energy Decomposition Analysis and Prediction via Machine-Learning Models
Raymond Gasper et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
A Theoretical Investigation into the Role of Surface Defects for Oxygen Evolution on RuO2
Colin F. Dickens et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
A New Type of Scaling Relations to Assess the Accuracy of Computational Predictions of Catalytic Activities Applied to the Oxygen Evolution Reaction
Ludovic G. V. Briquet et al.
CHEMCATCHEM (2017)
Multilayer Ni/Fe thin films as oxygen evolution catalysts for solar fuel production
M. Biset-Peiro et al.
JOURNAL OF PHYSICS D-APPLIED PHYSICS (2017)
Descriptors of Oxygen-Evolution Activity for Oxides: A Statistical Evaluation
Wesley T. Hong et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
From Organized High-Throughput Data to Phenomenological Theory using Machine Learning: The Example of Dielectric Breakdown
Chiho Kim et al.
CHEMISTRY OF MATERIALS (2016)
Active sites of nitrogen-doped carbon materials for oxygen reduction reaction clarified using model catalysts
Donghui Guo et al.
SCIENCE (2016)
Identification of catalytic sites for oxygen reduction and oxygen evolution in N-doped graphene materials: Development of highly efficient metal-free bifunctional electrocatalyst
Hong Bin Yang et al.
SCIENCE ADVANCES (2016)
Machine Learning Strategy for Accelerated Design of Polymer Dielectrics
Arun Mannodi-Kanakkithodi et al.
SCIENTIFIC REPORTS (2016)
Self-Size-Limiting Nanoscale Perforation of Graphene for Dense Heteroatom Doping
Uday Narayan Maiti et al.
ACS APPLIED MATERIALS & INTERFACES (2015)
Design Principles for Heteroatom-Doped Carbon Nanomaterials as Highly Efficient Catalysts for Fuel Cells and Metal-Air Batteries
Zhenghang Zhao et al.
ADVANCED MATERIALS (2015)
A nitrogen-doped mesoporous carbon containing an embedded network of carbon nanotubes as a highly efficient catalyst for the oxygen reduction reaction
Jin-Cheng Li et al.
NANOSCALE (2015)
A metal-free bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions
Jintao Zhang et al.
NATURE NANOTECHNOLOGY (2015)
Heteroatom-Doped Graphene-Based Materials for Energy-Relevant Electrocatalytic Processes
Jingjing Duan et al.
ACS CATALYSIS (2015)
Influence of enolate/epoxy configuration, doping and vacancy on the catalytic activity of graphene
S. Sinthika et al.
RSC ADVANCES (2015)
N-doped graphene as catalysts for oxygen reduction and oxygen evolution reactions: Theoretical considerations
Mingtao Li et al.
JOURNAL OF CATALYSIS (2014)
Band-Gap Energy as a Descriptor of Catalytic Activity for Propene Oxidation over Mixed Metal Oxide Catalysts
Andrew Bean Getsoian et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Water Oxidation by an Electropolymerized Catalyst on Derivatized Mesoporous Metal Oxide Electrodes
Dennis L. Ashford et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Origin of the Electrocatalytic Oxygen Reduction Activity of Graphene-Based Catalysts: A Roadnnap to Achieve the Best Performance
Yan Jiao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Rational design of the electrode morphology for oxygen evolution - enhancing the performance for catalytic water oxidation
Aleksandar R. Zeradjanin et al.
RSC ADVANCES (2014)
A theoretical investigation on the possible improvement of spin-filter effects by an electric field for a zigzag graphene nanoribbon with a line defect
G. P. Tang et al.
CARBON (2013)
Simple preparation of nanoporous few-layer nitrogen-doped graphene for use as an efficient electrocatalyst for oxygen reduction and oxygen evolution reactions
Ziyin Lin et al.
CARBON (2013)
Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications
Jens Peter Paraknowitsch et al.
ENERGY & ENVIRONMENTAL SCIENCE (2013)
Phosphorus-doped graphene nanosheets as efficient metal-free oxygen reduction electrocatalysts
Rong Li et al.
RSC ADVANCES (2013)
Sulfur-Doped Graphene as an Efficient Metal-free Cathode Catalyst for Oxygen Reduction
Zhi Yang et al.
ACS NANO (2012)
Physical and Chemical Nature of the Scaling Relations between Adsorption Energies of Atoms on Metal Surfaces
F. Calle-Vallejo et al.
PHYSICAL REVIEW LETTERS (2012)
Electrocatalytic Oxygen Evolution Reaction (OER) on Ru, Ir, and Pt Catalysts: A Comparative Study of Nanoparticles and Bulk Materials
Tobias Reier et al.
ACS CATALYSIS (2012)
Recent Progress in Non-Precious Catalysts for Metal-Air Batteries
Ruiguo Cao et al.
ADVANCED ENERGY MATERIALS (2012)
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
Isabela C. Man et al.
CHEMCATCHEM (2011)
Design principles for oxygen-reduction activity on perovskite oxide catalysts for fuel cells and metal-air batteries
Jin Suntivich et al.
NATURE CHEMISTRY (2011)
Sensitivity Analysis of k-Fold Cross Validation in Prediction Error Estimation
Juan Diego Rodriguez et al.
IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE (2010)
Intrinsic current-voltage characteristics of graphene nanoribbon transistors and effect of edge doping
Qimin Yan et al.
NANO LETTERS (2007)
Energy gaps in graphene nanoribbons
Young-Woo Son et al.
PHYSICAL REVIEW LETTERS (2006)