First-principles database driven computational neural network approach to the discovery of active ternary nanocatalysts for oxygen reduction reaction
出版年份 2018 全文链接
标题
First-principles database driven computational neural network approach to the discovery of active ternary nanocatalysts for oxygen reduction reaction
作者
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出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume -, Issue -, Pages -
出版商
Royal Society of Chemistry (RSC)
发表日期
2018-07-30
DOI
10.1039/c8cp03801e
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- (2018) Wei Chen et al. ChemCatChem
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- (2017) Jacob R. Boes et al. Journal of Physical Chemistry C
- To address surface reaction network complexity using scaling relations machine learning and DFT calculations
- (2017) Zachary W. Ulissi et al. Nature Communications
- Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction
- (2017) Zachary W. Ulissi et al. ACS Catalysis
- Amp : A modular approach to machine learning in atomistic simulations
- (2016) Alireza Khorshidi et al. COMPUTER PHYSICS COMMUNICATIONS
- First-Principles Design of Graphene-Based Active Catalysts for Oxygen Reduction and Evolution Reactions in the Aprotic Li–O2 Battery
- (2016) Joonhee Kang et al. Journal of Physical Chemistry Letters
- Towards a comprehensive understanding of FeCo coated with N-doped carbon as a stable bi-functional catalyst in acidic media
- (2016) Seung Hyo Noh et al. NPG Asia Materials
- Oxygen-Deficient Zirconia (ZrO2−x): A New Material for Solar Light Absorption
- (2016) Apurba Sinhamahapatra et al. Scientific Reports
- First-Principles Study on the Thermal Stability of LiNiO2 Materials Coated by Amorphous Al2O3 with Atomic Layer Thickness
- (2015) Joonhee Kang et al. ACS Applied Materials & Interfaces
- Carbon-Supported Pt-Based Alloy Electrocatalysts for the Oxygen Reduction Reaction in Polymer Electrolyte Membrane Fuel Cells: Particle Size, Shape, and Composition Manipulation and Their Impact to Activity
- (2015) Yan-Jie Wang et al. CHEMICAL REVIEWS
- First-principles computational study of highly stable and active ternary PtCuNi nanocatalyst for oxygen reduction reaction
- (2015) Seung Hyo Noh et al. Nano Research
- High-performance transition metal-doped Pt3Ni octahedra for oxygen reduction reaction
- (2015) X. Huang et al. SCIENCE
- Octahedral Pt2CuNi Uniform Alloy Nanoparticle Catalyst with High Activity and Promising Stability for Oxygen Reduction Reaction
- (2015) Changlin Zhang et al. ACS Catalysis
- First Principles Study of Morphology, Doping Level, and Water Solvation Effects on the Catalytic Mechanism of Nitrogen-Doped Graphene in the Oxygen Reduction Reaction
- (2014) Dohyun Kwak et al. ChemCatChem
- Tuning Nanoparticle Structure and Surface Strain for Catalysis Optimization
- (2014) Sen Zhang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Understanding the Composition and Activity of Electrocatalytic Nanoalloys in Aqueous Solvents: A Combination of DFT and Accurate Neural Network Potentials
- (2014) Nongnuch Artrith et al. NANO LETTERS
- Multimetallic Core/Interlayer/Shell Nanostructures as Advanced Electrocatalysts
- (2014) Yijin Kang et al. NANO LETTERS
- The origin of enhanced electrocatalytic activity of Pt–M (M=Fe, Co, Ni, Cu, and W) alloys in PEM fuel cell cathodes: A DFT computational study
- (2014) Lihui Ou Computational and Theoretical Chemistry
- First-principles thermodynamic study of the electrochemical stability of Pt nanoparticles in fuel cell applications
- (2013) Joon Kyo Seo et al. JOURNAL OF POWER SOURCES
- Compositional segregation in shaped Pt alloy nanoparticles and their structural behaviour during electrocatalysis
- (2013) Chunhua Cui et al. NATURE MATERIALS
- The Catalyst Genome
- (2012) Jens K. Nørskov et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Icosahedral Platinum Alloy Nanocrystals with Enhanced Electrocatalytic Activities
- (2012) Jianbo Wu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2011) Jörg Behler JOURNAL OF CHEMICAL PHYSICS
- Predicted Trends of Core−Shell Preferences for 132 Late Transition-Metal Binary-Alloy Nanoparticles
- (2009) Lin-Lin Wang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
- (2009) J. Greeley et al. Nature Chemistry
- Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
- (2008) Riccardo Ferrando et al. CHEMICAL REVIEWS
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