相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Nitrogen coordinated silicon-doped graphene as a potential alternative metal-free catalyst for CO oxidation
Yanan Tang et al.
CARBON (2017)
Electron doped C2N monolayer as efficient noble metal-free catalysts for CO oxidation
Soubhik Chakrabarty et al.
APPLIED SURFACE SCIENCE (2017)
CO oxidation on single Pd atom embedded defect-graphene via a new termolecular Eley-Rideal mechanism
Guoliang Xu et al.
CARBON (2017)
DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes
Mehdi D. Esrafili et al.
STRUCTURAL CHEMISTRY (2016)
CO Oxidation Prefers the Eley-Rideal or Langmuir-Hinshelwood Pathway: Monolayer vs Thin Film of SiC
S. Sinthika et al.
ACS APPLIED MATERIALS & INTERFACES (2016)
First principles study on the interfacial properties of NM/graphdiyne (NM = Pd, Pt, Rh and Ir): The implications for NM growing
Zhansheng Lu et al.
APPLIED SURFACE SCIENCE (2016)
The mechanism of oxygen activation on single Pt-atom doped SnO2(110) surface
Zhansheng Lu et al.
JOURNAL OF MATERIALS SCIENCE (2016)
Quantitative Understanding of van der Waals Interactions by Analyzing the Adsorption Structure and Low-Frequency Vibrational Modes of Single Benzene Molecules on Silver
Dingwang Yuan et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Nitrogen-doped carbon nanotube as a potential metal-free catalyst for CO oxidation
I-Hsiang Lin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
CO oxidation catalyzed by the single Co atom embedded hexagonal boron nitride nanosheet: a DFT-D study
Zhansheng Lu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Photochemical route for synthesizing atomically dispersed palladium catalysts
Pengxin Liu et al.
SCIENCE (2016)
CO catalytic oxidation on Pt-doped single wall boron nitride nanotube: first-principles investigations
S. Abdel Aal
SURFACE SCIENCE (2016)
Graphyne as a promising substrate for the noble-metal single-atom catalysts
D. W. Ma et al.
CARBON (2015)
A Comparative Study of CO Oxidation on Nitrogen- and Phosphorus-Doped Graphene
Mehdi D. Esrafili et al.
CHEMPHYSCHEM (2015)
Sn-embedded graphene: An active catalyst for CO oxidation to CO2?
Mehdi D. Esrafili et al.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2015)
CO oxidation catalysed by Pd-based bimetallic nanoalloys
Dennis Palagin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Can metal-free silicon-doped hexagonal boron nitride nanosheets and nanotubes exhibit activity toward CO oxidation?
Sen Lin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Graphyne-supported single Fe atom catalysts for CO oxidation
Ping Wu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Atomic cobalt on nitrogen-doped graphene for hydrogen generation
Huilong Fei et al.
NATURE COMMUNICATIONS (2015)
Perspective on CO oxidation over Pd-based catalysts
You Zhou et al.
CATALYSIS SCIENCE & TECHNOLOGY (2015)
Pt atoms stabilized on hexagonal boron nitride as efficient single-atom catalysts for CO oxidation: a first-principles investigation
Xin Liu et al.
RSC ADVANCES (2015)
Ag/white graphene foam for catalytic oxidation of methanol with high efficiency and stability
Huijie Zhao et al.
JOURNAL OF MATERIALS CHEMISTRY A (2015)
Facile in situ synthesis of silver nanoparticles on boron nitride nanosheets with enhanced catalytic performance
Heng Shen et al.
JOURNAL OF MATERIALS CHEMISTRY A (2015)
MoS2 supported single platinum atoms and their superior catalytic activity for CO oxidation: a density functional theory study
Chunmiao Du et al.
JOURNAL OF MATERIALS CHEMISTRY A (2015)
A single iron site confined in a graphene matrix for the catalytic oxidation of benzene at room temperature
Dehui Deng et al.
SCIENCE ADVANCES (2015)
Pd-1/BN as a promising single atom catalyst of CO oxidation: a dispersion-corrected density functional theory study
Zhansheng Lu et al.
RSC ADVANCES (2015)
Can Si-embedded boron nitride nanotubes act as a favorable metal-free catalyst for CO oxidation by N2O?
Mehdi D. Esrafili et al.
RSC ADVANCES (2015)
Electronic Metal- Support Interactions in Single- Atom Catalysts
Pingping Hu et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)
Atomic-Structural Synergy for Catalytic CO Oxidation over Palladium-Nickel Nanoalloys
Shiyao Shan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Direct CO oxidation by lattice oxygen on the SnO2(110) surface: a DFT study
Zhansheng Lu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Direct, Nonoxidative Conversion of Methane to Ethylene, Aromatics, and Hydrogen
Xiaoguang Guo et al.
SCIENCE (2014)
Copper atoms embedded in hexagonal boron nitride as potential catalysts for CO oxidation: a first-principles investigation
Xin Liu et al.
RSC ADVANCES (2014)
Density functional theory calculations on the CO catalytic oxidation on Al-embedded graphene
Q. G. Jiang et al.
RSC ADVANCES (2014)
The superior catalytic CO oxidation capacity of a Cr-phthalocyanine porous sheet
Yawei Li et al.
SCIENTIFIC REPORTS (2014)
A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O2 Activation
Keke Mao et al.
SCIENTIFIC REPORTS (2014)
Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: the role of dopant and water in activity and catalytic de-poisoning
S. Sinthika et al.
JOURNAL OF MATERIALS CHEMISTRY A (2014)
Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis
Xiao-Feng Yang et al.
ACCOUNTS OF CHEMICAL RESEARCH (2013)
Operando Raman spectroscopy and kinetic study of low-temperature CO oxidation on an α-Mn2O3 nanocatalyst
Jing Xu et al.
JOURNAL OF CATALYSIS (2013)
First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation
Sen Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
CO Self-Promoting Oxidation on Nanosized Gold Clusters: Triangular Au3 Active Site and CO Induced O-O Scission
Chunyan Liu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Catalytically active single-atom niobium in graphitic layers
Xuefeng Zhang et al.
NATURE COMMUNICATIONS (2013)
A computational investigation of CO oxidation on ruthenium-embedded hexagonal boron nitride nanosheet
Caijin Huang et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)
Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition
Shuhui Sun et al.
SCIENTIFIC REPORTS (2013)
Stable colloidal boron nitride nanosheet dispersion and its potential application in catalysis
Caijin Huang et al.
JOURNAL OF MATERIALS CHEMISTRY A (2013)
Structural Selectivity of CO Oxidation on Fe/N/C Catalysts
P. Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Fe-Anchored Graphene Oxide: A Low-Cost and Easily Accessible Catalyst for Low-Temperature CO Oxidation
Fengyu Li et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Mechanisms of the Oxygen Reduction Reaction on Defective Graphene-Supported Pt Nanoparticles from First-Principles
Dong-Hee Lim et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
CO oxidation catalyzed by silver nanoclusters: mechanism and effects of charge
Dianyong Tang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
A theoretical simulation on the catalytic oxidation of CO on Pt/graphene
Yanan Tang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
CO Oxidation as a Prototypical Reaction for Heterogeneous Processes
Hans-Joachim Freund et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
CO catalytic oxidation on iron-embedded hexagonal boron nitride sheet
Peng Zhao et al.
CHEMICAL PHYSICS LETTERS (2011)
CO Catalytic Oxidation on Copper-Embedded Graphene
E. H. Song et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
DFT Insight into CO Oxidation Catalyzed by Gold Nanoclusters: Charge Effect and Multi-State Reactivity
Dianyong Tang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Single-atom catalysis of CO oxidation using Pt1/FeOx
Botao Qiao et al.
NATURE CHEMISTRY (2011)
A site-isolated mononuclear iridium complex catalyst supported on MgO: Characterization by spectroscopy and aberration-corrected scanning transmission electron microscopy
Alper Uzun et al.
JOURNAL OF CATALYSIS (2010)
CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts
Yafei Li et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Trends in CO Oxidation Rates for Metal Nanoparticles and Close-Packed, Stepped, and Kinked Surfaces
T. Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Metal-Embedded Graphene: A Possible Catalyst with High Activity
Yun-Hao Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
Alexandre Tkatchenko et al.
PHYSICAL REVIEW LETTERS (2009)
Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments
Chuanhong Jin et al.
PHYSICAL REVIEW LETTERS (2009)
Coordinatively Unsaturated Al3+ Centers as Binding Sites for Active Catalyst Phases of Platinum on γ-Al2O3
Ja Hun Kwak et al.
SCIENCE (2009)
Adsorption of H2O, NH3, CO, NO2, and NO on graphene:: A first-principles study
O. Leenaerts et al.
PHYSICAL REVIEW B (2008)
Efficiency of numerical basis sets for predicting the binding energies of hydrogen bonded complexes: Evidence of small basis set superposition error compared to Gaussian basis sets
Yasuji Inada et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Application of numerical basis sets to hydrogen bonded systems: A density functional theory study
NA Benedek et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Mechanism of the CO oxidation reaction on O-precovered Pt(111) surfaces studied with near-edge x-ray absorption fine structure spectroscopy
I Nakai et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Synergistic effect in an Au-Ag alloy nanocatalyst: CO oxidation
JH Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Single-site heterogeneous catalysts
JM Thomas et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Reactivity of atomic gold anions toward oxygen and the oxidation of CO:: Experiment and theory
ML Kimble et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
A systematic study of CO oxidation on metals and metal oxides: Density functional theory calculations
XQ Gong et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Reaction-path switching induced by spatial-distribution change of reactants: CO oxidation on Pt(111)
I Nakai et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Density functional theory study of the oxidation of CO by OH on Au(110) and Pt(111) surfaces
TE Shubina et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2004)
Catalytic role of gold in gold-based catalysts: A density functional theory study on the CO oxidation on gold
ZP Liu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Catalytic oxidation of CO on Pd(111)
P Salo et al.
SURFACE SCIENCE (2002)
Periodic trends in hydrodesulfurization: in support of the Sabatier principle
RR Chianelli et al.
APPLIED CATALYSIS A-GENERAL (2002)
CO oxidation on transition metal surfaces: reaction rates from first principles
A Eichler
SURFACE SCIENCE (2002)
From molecules to solids with the DMol3 approach
B Delley
JOURNAL OF CHEMICAL PHYSICS (2000)