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注意：仅列出部分参考文献，下载原文获取全部文献信息。Recent Advances in Non-Precious Transition Metal/Nitrogen-doped Carbon for Oxygen Reduction Electrocatalysts in PEMFCs
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Theoretical Calculation of Different Reaction Mechanisms for CO Oxidation on MnN3-Doped Graphene
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A Graphene-Supported Single-Atom FeN5 Catalytic Site for Efficient Electrochemical CO2 Reduction
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ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)
Transition Metal Atoms Embedded in Graphene: How Nitrogen Doping Increases CO Oxidation Activity
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ACS CATALYSIS (2019)
Highly selective oxygen reduction to hydrogen peroxide on transition metal single atom coordination
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NATURE COMMUNICATIONS (2019)
Scalable synthesis of gyroid-inspired freestanding three-dimensional graphene architectures
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NANOSCALE ADVANCES (2019)
Prospect for detecting magnetism of a single impurity atom using electron magnetic chiral dichroism
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PHYSICAL REVIEW B (2019)
Improving the Oxygen Reduction Reaction Activity of FeN4-Graphene via Tuning Electronic Characteristics
Lei Wu et al.
ACS APPLIED ENERGY MATERIALS (2019)
Tuning the Doping Types in Graphene Sheets by N Monoelement
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NANO LETTERS (2018)
Investigation of carbon monoxide catalytic oxidation on vanadium-embedded graphene
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MONATSHEFTE FUR CHEMIE (2018)
Transition states of spin-forbidden reactions
Bo Yang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)
CO Oxidation Catalyzed by a Single Ti Atom Supported on Divacancy Defective Graphene: A Dispersion-Corrected DFT Study
Mehdi D. Esrafili et al.
CHEMISTRYSELECT (2018)
Heterogeneous single-atom catalysis
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NATURE REVIEWS CHEMISTRY (2018)
Single Atom Catalysts on Carbon-Based Materials
Camila Rivera-Carcamo et al.
CHEMCATCHEM (2018)
Tuning nitrogen reduction reaction activity via controllable Fe magnetic moment: A computational study of single Fe atom supported on defective graphene
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ELECTROCHIMICA ACTA (2018)
Evaluating the Stability of Single-Atom Catalysts with High Chemical Activity
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JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Trapping of gaseous pollutants on defective N-doped graphene
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
High performance platinum single atom electrocatalyst for oxygen reduction reaction
Jing Liu et al.
NATURE COMMUNICATIONS (2017)
Support Effects in Single-Atom Platinum Catalysts for Electrochemical Oxygen Reduction
Sungeun Yang et al.
ACS CATALYSIS (2017)
Single Ni atom incorporated with pyridinic nitrogen graphene as an efficient catalyst for CO oxidation: first-principles investigation
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RSC ADVANCES (2017)
Defect Chemistry of Nonprecious-Metal Electrocatalysts for Oxygen Reactions
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ADVANCED MATERIALS (2017)
Tackling CO Poisoning with Single-Atom Alloy Catalysts
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
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NATURE CHEMISTRY (2016)
Spin and structural features of oxygen dissociation on tetrahedral Ag20 and Ag19Au clusters
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Platinum single-atom and cluster catalysis of the hydrogen evolution reaction
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NATURE COMMUNICATIONS (2016)
Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES
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Microstructural tunability of co-continuous bijel-derived electrodes to provide high energy and power densities
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JOURNAL OF MATERIALS CHEMISTRY A (2016)
Detecting magnetic ordering with atomic size electron probes
Juan Carlos Idrobo et al.
ADVANCED STRUCTURAL AND CHEMICAL IMAGING (2016)
Electronic Interaction between Nitrogen Atoms in Doped Graphene
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ACS NANO (2015)
The AFLOW standard for high-throughput materials science calculations
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COMPUTATIONAL MATERIALS SCIENCE (2015)
Strongly Constrained and Appropriately Normed Semilocal Density Functional
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PHYSICAL REVIEW LETTERS (2015)
Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational Study
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ACS CATALYSIS (2015)
Density-Functional-Theory Calculation Analysis of Active Sites for Four-Electron Reduction of O2 on Fe/N-Doped Graphene
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ACS CATALYSIS (2014)
Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis
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ACCOUNTS OF CHEMICAL RESEARCH (2013)
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2013)
Catalytic Properties of Transition Metal-N4 Moieties in Graphene for the Oxygen Reduction Reaction: Evidence of Spin-Dependent Mechanisms
Walter Orellana
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
High Pressure Carbon Monoxide Oxidation over Platinum (111)
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JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Single Layer of Polymeric Cobalt Phthalocyanine: Promising Low-Cost and High-Activity Nanocatalysts for CO Oxidation
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SMALL (2013)
Stability, Electronic and Magnetic Properties of In-Plane Defects in Graphene: A First-Principles Study
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JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Density Functional Theory Study of Ni-Nx/C Electrocatalyst for Oxygen Reduction in Alkaline and Acidic Media
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JOURNAL OF PHYSICAL CHEMISTRY C (2012)
A theoretical simulation on the catalytic oxidation of CO on Pt/graphene
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Supported Molecular Iridium Catalysts: Resolving Effects of Metal Nuclearity and Supports as Ligands
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Single-atom catalysis of CO oxidation using Pt1/FeOx
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NATURE CHEMISTRY (2011)
Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Nitrogen-Doped Graphene as Efficient Metal-Free Electrocatalyst for Oxygen Reduction in Fuel Cells
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CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts
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JOURNAL OF PHYSICAL CHEMISTRY C (2010)
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NANOTECHNOLOGY (2010)
Emergence of magnetism in graphene materials and nanostructures
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REPORTS ON PROGRESS IN PHYSICS (2010)
A grid-based Bader analysis algorithm without lattice bias
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JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
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NANO LETTERS (2009)
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NANOTECHNOLOGY (2009)
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PHYSICAL REVIEW LETTERS (2009)
Multifunctionality of three-dimensional self-assembled composite structure
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SCRIPTA MATERIALIA (2009)
A systematic approach to choosing parameters for modelling fine structure in electron energy-loss spectroscopy
Che R. Seabourne et al.
ULTRAMICROSCOPY (2009)
Activity benchmarks and requirements for Pt, Pt-alloy, and non-Pt oxygen reduction catalysts for PEMFCs
HA Gasteiger et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2005)
Origin of the overpotential for oxygen reduction at a fuel-cell cathode
JK Norskov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Multifunctional composites: Optimizing microstructures for simultaneous transport of heat and electricity
S Torquato et al.
PHYSICAL REVIEW LETTERS (2002)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
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