Understanding Composition-Dependent Synergy of PtPd Alloy Nanoparticles in Electrocatalytic Oxygen Reduction Reaction
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June 2017 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Investigation of high oxygen reduction reaction catalytic performance on Mn-based mullite SmMn 2 O 5
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January 2017 |
Single-Atom Co–N 4 Electrocatalyst Enabling Four-Electron Oxygen Reduction with Enhanced Hydrogen Peroxide Tolerance for Selective Sensing
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September 2020 |
Projector augmented-wave method
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December 1994 |
Hybrid functionals based on a screened Coulomb potential
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May 2003 |
Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C 3 N 4 ) for Nitrogen Electroreduction
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October 2018 |
Design and Preparation of Highly Active Pt−Pd/C Catalyst for the Oxygen Reduction Reaction
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April 2007 |
Atomically Dispersed Metal Catalysts for Oxygen Reduction
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June 2019 |
Surface Formation of Lithium Negative Ions
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March 1947 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Catalytically highly active top gold atom on palladium nanocluster
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October 2011 |
Mechanical Isolation of Highly Stable Antimonene under Ambient Conditions
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June 2016 |
Single−sided fluorine–functionalized graphene: A metal–free electrocatalyst with high efficiency for oxygen reduction reaction
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August 2016 |
Carbon-Based Single-Atom Catalysts for Advanced Applications
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January 2020 |
Single-Atom Catalysts of Precious Metals for Electrochemical Reactions
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October 2017 |
Graphene-supported metal single-atom catalysts: a concise review
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March 2020 |
Implicit self-consistent electrolyte model in plane-wave density-functional theory
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December 2019 |
Metal-free carbocatalysis for electrochemical oxygen reduction reaction: Activity origin and mechanism
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September 2020 |
Bismuthene for highly efficient carbon dioxide electroreduction reaction
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February 2020 |
Activation of Molecular Oxygen by Anionic Gold Clusters
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March 2012 |
Low-PGM and PGM-Free Catalysts for Proton Exchange Membrane Fuel Cells: Stability Challenges and Material Solutions
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April 2020 |
Single transition metal atom embedded antimonene monolayers as efficient trifunctional electrocatalysts for the HER, OER and ORR: a density functional theory study
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January 2021 |
Density-Functional-Theory Calculation Analysis of Active Sites for Four-Electron Reduction of O 2 on Fe/N-Doped Graphene
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October 2014 |
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 |
Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions
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January 2015 |
Bonded-atom fragments for describing molecular charge densities
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January 1977 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
The threat to climate change mitigation posed by the abundance of fossil fuels
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June 2018 |
Practical fuel cells enabled by unprecedented oxygen reduction reaction on 3D nanostructured electrocatalysts
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September 2020 |
Advanced Electrocatalysts for the Oxygen Reduction Reaction in Energy Conversion Technologies
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January 2020 |
Catalytic mechanism of oxygen reduction on two types of CoN 4 ‐graphene : A density functional study
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February 2021 |
Adsorption characteristics and oxygen reduction reactions on pristine and Pt-, Co-decorated antimonenes: a DFT-D study
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January 2020 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
The recent progress and future of oxygen reduction reaction catalysis: A review
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March 2017 |
Direct Observation of a Long-Lived Single-Atom Catalyst Chiseling Atomic Structures in Graphene
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January 2014 |
Chemical Vapor Deposition for Atomically Dispersed and Nitrogen Coordinated Single Metal Site Catalysts
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September 2020 |
Anionic Single-Atom Catalysts for CO Oxidation: Support-Independent Activity at Low Temperatures
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January 2019 |
Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition
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May 2013 |
2D Monoelemental Arsenene, Antimonene, and Bismuthene: Beyond Black Phosphorus
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February 2017 |
Decarbonising energy: The developing international activity in hydrogen technologies and fuel cells
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December 2020 |
A theoretical evaluation of possible transition metal electro-catalysts for N 2 reduction
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January 2012 |
Introduction: Oxygen Reduction and Activation in Catalysis
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December 2017 |
Recent Progresses in Oxygen Reduction Reaction Electrocatalysts for Electrochemical Energy Applications
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October 2019 |
Multiscale structural engineering of atomically dispersed FeN4 electrocatalyst for proton exchange membrane fuel cells
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July 2021 |
Challenges in applying highly active Pt-based nanostructured catalysts for oxygen reduction reactions to fuel cell vehicles
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January 2021 |
Electronic structure engineering to boost oxygen reduction activity by controlling the coordination of the central metal
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January 2018 |
In situ surface-confined fabrication of single atomic Fe-N4 on N-doped carbon nanoleaves for oxygen reduction reaction
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August 2021 |
Few-Layer Antimonene by Liquid-Phase Exfoliation
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August 2016 |
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
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October 2021 |
Heterogeneous single-atom catalysis
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May 2018 |
Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
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January 2003 |
Role of Iridium in Pt-based Alloy Catalysts for the ORR: Surface Adsorption and Stabilization Studies
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January 2010 |
Single‐Atom Catalysts: A Sustainable Pathway for the Advanced Catalytic Applications
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February 2021 |
A fast and robust algorithm for Bader decomposition of charge density
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June 2006 |
Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis
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April 2013 |
Adventures with Substances Containing Metals in Negative Oxidation States †
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April 2006 |
Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts
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February 2020 |
Boosting ORR/OER Activity of Graphdiyne by Simple Heteroatom Doping
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May 2019 |
Two-dimensional antimonene single crystals grown by van der Waals epitaxy
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November 2016 |
Non-Transition-Metal Catalytic System for N 2 Reduction to NH 3 : A Density Functional Theory Study of Al-Doped Graphene
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January 2018 |
Does air pollution stimulate electric vehicle sales? Empirical evidence from twenty major cities in China
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March 2020 |
Computational Screening for ORR Activity of 3d Transition Metal Based M@Pt Core–Shell Clusters
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January 2019 |
Novel Non-Precious Metal Electrocatalysts for Oxygen Electrode Reactions
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August 2019 |
Pt–Pd catalytic nanoflowers: Synthesis, characterization, and the activity toward electrochemical oxygen reduction
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August 2015 |
Pnictogen (As, Sb, Bi) Nanosheets for Electrochemical Applications Are Produced by Shear Exfoliation Using Kitchen Blenders
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August 2017 |
Single-Atom Catalysts: Emerging Multifunctional Materials in Heterogeneous Catalysis
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September 2017 |
Accurate and efficient algorithm for Bader charge integration
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February 2011 |
Studies of the Semiconducting Properties of the Compound CsAu
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July 1959 |
Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
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February 2014 |
The prediction of semiconducting properties in inorganic compounds
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September 1958 |
Recent Advances on Non-precious Metal Porous Carbon-based Electrocatalysts for Oxygen Reduction Reaction
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March 2018 |
Engineering bunched Pt-Ni alloy nanocages for efficient oxygen reduction in practical fuel cells
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November 2019 |
Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction
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December 2017 |
Electronic perturbations
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July 2012 |
A Review on Recent Developments and Prospects for the Oxygen Reduction Reaction on Hollow Pt-alloy Nanoparticles
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May 2018 |
Special points for Brillouin-zone integrations
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June 1976 |
Chemical Vapor Deposition Methods for the Controlled Preparation of Supported Catalytic Materials
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September 2002 |
Highly active atomically dispersed CoN 4 fuel cell cathode catalysts derived from surfactant-assisted MOFs: carbon-shell confinement strategy
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January 2019 |
Progress in the Development of Fe‐Based PGM‐Free Electrocatalysts for the Oxygen Reduction Reaction
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December 2018 |
Hydroformylation of Olefins by a Rhodium Single-Atom Catalyst with Activity Comparable to RhCl(PPh 3 ) 3
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November 2016 |
Single-Atom Pd 1 /Graphene Catalyst Achieved by Atomic Layer Deposition: Remarkable Performance in Selective Hydrogenation of 1,3-Butadiene
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August 2015 |
Simultaneously Achieving High Activity and Selectivity toward Two-Electron O 2 Electroreduction: The Power of Single-Atom Catalysts
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September 2019 |
Dynamic charge and oxidation state of Pt/CeO2 single-atom catalysts
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August 2019 |
A General Two‐Step Strategy–Based High‐Throughput Screening of Single Atom Catalysts for Nitrogen Fixation
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December 2018 |
Evolution of Pt and Pt-Alloy Catalytic Surfaces Under Oxygen Reduction Reaction in Acid Medium
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April 2012 |
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
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April 2018 |
Synthesis and Characterization of 9 nm Pt–Ni Octahedra with a Record High Activity of 3.3 A/mg Pt for the Oxygen Reduction Reaction
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June 2013 |
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
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November 2004 |
Understanding the Activity of Co‐N 4− x C x in Atomic Metal Catalysts for Oxygen Reduction Catalysis
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February 2020 |
Unraveling Charge State of Supported Au Single-Atoms during CO Oxidation
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January 2018 |
Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts
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August 2016 |
Single-Atom Catalysts: From Design to Application
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August 2019 |
Review of Metal Catalysts for Oxygen Reduction Reaction: From Nanoscale Engineering to Atomic Design
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June 2019 |