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Oxygen Reduction Reaction on Pt and Pt Bimetallic Surfaces: A Selective Review
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July 2001 |
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Atomic Defects in Two Dimensional Materials
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May 2015 |
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Topological Defects in Metal-Free Nanocarbon for Oxygen Electrocatalysis
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May 2016 |
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Atomic Modulation and Structure Design of Carbons for Bifunctional Electrocatalysis in Metal–Air Batteries
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September 2018 |
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Progress in the Development of Fe‐Based PGM‐Free Electrocatalysts for the Oxygen Reduction Reaction
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December 2018 |
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One-Dimensional Earth-Abundant Nanomaterials for Water-Splitting Electrocatalysts
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December 2016 |
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Bifunctional Electrocatalytic Activity of Boron-Doped Graphene Derived from Boron Carbide
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June 2015 |
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Boron-Doped Carbon Nanotubes as Metal-Free Electrocatalysts for the Oxygen Reduction Reaction
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June 2011 |
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Single-Atom Electrocatalysts
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October 2017 |
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Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
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March 2011 |
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Single Atom Catalysts on Carbon-Based Materials
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November 2018 |
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Recent Advances in Atomic Metal Doping of Carbon-based Nanomaterials for Energy Conversion
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April 2017 |
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Boosting ORR/OER Activity of Graphdiyne by Simple Heteroatom Doping
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May 2019 |
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Heat-treated polyacrylonitrile-based catalysts for oxygen electroreduction
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January 1989 |
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
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Enhanced hydrogen storage on Li-doped defective graphene with B substitution: A DFT study
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July 2017 |
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Mo isolated single atoms on S, N-codoped carbon as efficient catalyst for hydrogen evolution reaction: A theoretical evaluation
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April 2019 |
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Graphyne doped with transition-metal single atoms as effective bifunctional electrocatalysts for water splitting
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October 2019 |
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Electrolysis of water on (oxidized) metal surfaces
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December 2005 |
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A fast and robust algorithm for Bader decomposition of charge density
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June 2006 |
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Structural and electronic properties of crystalline graphite-like BC3
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November 2015 |
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Electrochemical dissolution of surface alloys in acids: Thermodynamic trends from first-principles calculations
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May 2007 |
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Single Mo atoms supported on N-Doped carbon with N/C edge-site for enhanced electrochemical hydrogen evolution
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June 2019 |
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Computational screening of two-dimensional coordination polymers as efficient catalysts for oxygen evolution and reduction reaction
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August 2017 |
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Electrolysis of water on oxide surfaces
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September 2007 |
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Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis
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September 2011 |
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Electronic and magnetic properties of Fe-, Co-, and Ni-decorated BC 3 : A first-principles study
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May 2018 |
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Graphene-analogous low-dimensional materials
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October 2013 |
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Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins
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January 2013 |
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Mechanical control of the electro-optical properties of monolayer and bilayer BC 3 by applying the in-plane biaxial strain
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November 2017 |
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In Situ Photochemical Activation of Sulfate for Enhanced Degradation of Organic Pollutants in Water
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February 2017 |
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Reversible Hydrogen Uptake by BN and BC 3 Monolayers Functionalized with Small Fe Clusters: A Route to Effective Energy Storage
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March 2016 |
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Simultaneously Achieving High Activity and Selectivity toward Two-Electron O 2 Electroreduction: The Power of Single-Atom Catalysts
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September 2019 |
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Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis
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April 2013 |
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Graphene-Like Two-Dimensional Materials
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January 2013 |
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Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method
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October 2011 |
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Molecule-Level g-C 3 N 4 Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions
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February 2017 |
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Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
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November 2004 |
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Structural, Electronic, and Magnetic Properties of Defects in the BC 3 Sheet from First Principles
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June 2010 |
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Feasibility of Lithium Storage on Graphene and Its Derivatives
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May 2013 |
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Structural Defects in Graphene
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November 2010 |
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Single-atom catalysis of CO oxidation using Pt1/FeOx
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July 2011 |
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Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
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September 2009 |
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A metal–organic framework-derived bifunctional oxygen electrocatalyst
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January 2016 |
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Nanostructured hydrotreating catalysts for electrochemical hydrogen evolution
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January 2014 |
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Boron-doped graphene as a promising anode for Na-ion batteries
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January 2014 |
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Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions
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January 2015 |
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Oxygen evolution on well-characterized mass-selected Ru and RuO 2 nanoparticles
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January 2015 |
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Single-atom catalysts for CO 2 electroreduction with significant activity and selectivity improvements
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January 2017 |
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Recent advances in Fe (or Co)/N/C electrocatalysts for the oxygen reduction reaction in polymer electrolyte membrane fuel cells
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January 2017 |
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Tuning the adsorption and interaction of CO and O 2 on graphene-like BC 3 -supported non-noble metal atoms
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January 2018 |
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Transition-metal single atoms in nitrogen-doped graphenes as efficient active centers for water splitting: a theoretical study
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January 2019 |
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Mononuclear Fe in N-doped carbon: computational elucidation of active sites for electrochemical oxygen reduction and oxygen evolution reactions
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January 2020 |
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Computational screening of transition metal-doped phthalocyanine monolayers for oxygen evolution and reduction
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January 2020 |
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Transition metal-embedded two-dimensional C 3 N as a highly active electrocatalyst for oxygen evolution and reduction reactions
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January 2019 |
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Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications
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January 2013 |
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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December 2000 |
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
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Electronic and magnetic properties of substitutionally Fe-, Co-, and Ni-doped BC 3 honeycomb structure
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February 2012 |
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Rationale for mixing exact exchange with density functional approximations
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December 1996 |
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Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
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February 2014 |
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Magnetic properties of vacancies in graphene and single-walled carbon nanotubes
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January 2004 |
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Special points for Brillouin-zone integrations
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June 1976 |
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Projector augmented-wave method
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December 1994 |
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
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Stability and charge transfer of C 3 B ordered structures
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July 1996 |
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Structure and energetics of the vacancy in graphite
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October 2003 |
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Crystal structures and metastability of carbon-boron compounds C 3 B and C 5 B
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March 2013 |
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Bonding, stability, and electronic properties of the BC 3 honeycomb monolayer structure on NbB 2 (0001)
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September 2013 |
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Generalized Gradient Approximation Made Simple
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October 1996 |
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Effect of Strain on the Reactivity of Metal Surfaces
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September 1998 |
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Phonon Dispersion Curves of a B C 3 Honeycomb Epitaxial Sheet
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October 2004 |
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Identification of catalytic sites for oxygen reduction and oxygen evolution in N-doped graphene materials: Development of highly efficient metal-free bifunctional electrocatalyst
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April 2016 |
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Electric Field Effect in Atomically Thin Carbon Films
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October 2004 |
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High-performance transition metal-doped Pt3Ni octahedra for oxygen reduction reaction
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June 2015 |
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Trends in the Exchange Current for Hydrogen Evolution
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January 2005 |
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Design criteria for stable Pt/C fuel cell catalysts
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January 2014 |