A promising single atom catalyst for CO oxidation: Ag on boron vacancies of h-BN sheets

CO Oxidation Prefers the Eley–Rideal or Langmuir–Hinshelwood Pathway: Monolayer vs Thin Film of SiC

(2016) S. Sinthika et al.   ACS Applied Materials & Interfaces

First principles study on the interfacial properties of NM/graphdiyne (NM = Pd, Pt, Rh and Ir): The implications for NM growing

(2016) Zhansheng Lu et al.   APPLIED SURFACE SCIENCE

The mechanism of oxygen activation on single Pt-atom doped SnO2(110) surface

(2016) Zhansheng Lu et al.   JOURNAL OF MATERIALS SCIENCE

Quantitative Understanding of van der Waals Interactions by Analyzing the Adsorption Structure and Low-Frequency Vibrational Modes of Single Benzene Molecules on Silver

(2016) Dingwang Yuan et al.   Journal of Physical Chemistry Letters

Nitrogen-doped carbon nanotube as a potential metal-free catalyst for CO oxidation

(2016) I-Hsiang Lin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CO oxidation catalyzed by the single Co atom embedded hexagonal boron nitride nanosheet: a DFT-D study

(2016) Zhansheng Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photochemical route for synthesizing atomically dispersed palladium catalysts

(2016) P. Liu et al.   SCIENCE

CO catalytic oxidation on Pt-doped single wall boron nitride nanotube: first-principles investigations

(2016) S. Abdel Aal   SURFACE SCIENCE

Graphyne as a promising substrate for the noble-metal single-atom catalysts

(2015) D.W. Ma et al.   CARBON

A Comparative Study of CO Oxidation on Nitrogen- and Phosphorus-Doped Graphene

(2015) Mehdi D. Esrafili et al.   CHEMPHYSCHEM

Sn-embedded graphene: An active catalyst for CO oxidation to CO 2 ?

(2015) Mehdi D. Esrafili et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

CO oxidation catalysed by Pd-based bimetallic nanoalloys

(2015) Dennis Palagin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Can metal-free silicon-doped hexagonal boron nitride nanosheets and nanotubes exhibit activity toward CO oxidation?

(2015) Sen Lin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Graphyne-supported single Fe atom catalysts for CO oxidation

(2015) Ping Wu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT calculations on the catalytic oxidation of CO over Si-doped (6,0) boron nitride nanotubes

(2015) Mehdi D. Esrafili et al.   STRUCTURAL CHEMISTRY

Atomic cobalt on nitrogen-doped graphene for hydrogen generation

(2015) Huilong Fei et al.   Nature Communications

Perspective on CO oxidation over Pd-based catalysts

(2015) You Zhou et al.   Catalysis Science & Technology

Pt atoms stabilized on hexagonal boron nitride as efficient single-atom catalysts for CO oxidation: a first-principles investigation

(2015) Xin Liu et al.   RSC Advances

Ag/white graphene foam for catalytic oxidation of methanol with high efficiency and stability

(2015) Huijie Zhao et al.   Journal of Materials Chemistry A

Facile in situ synthesis of silver nanoparticles on boron nitride nanosheets with enhanced catalytic performance

(2015) Heng Shen et al.   Journal of Materials Chemistry A

MoS2 supported single platinum atoms and their superior catalytic activity for CO oxidation: a density functional theory study

(2015) Chunmiao Du et al.   Journal of Materials Chemistry A

A single iron site confined in a graphene matrix for the catalytic oxidation of benzene at room temperature

(2015) D. Deng et al.   Science Advances

Electronic Metal-Support Interactions in Single-Atom Catalysts

(2014) Pingping Hu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Atomic-Structural Synergy for Catalytic CO Oxidation over Palladium–Nickel Nanoalloys

(2014) Shiyao Shan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct CO oxidation by lattice oxygen on the SnO2(110) surface: a DFT study

(2014) Zhansheng Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct, Nonoxidative Conversion of Methane to Ethylene, Aromatics, and Hydrogen

(2014) X. Guo et al.   SCIENCE

Copper atoms embedded in hexagonal boron nitride as potential catalysts for CO oxidation: a first-principles investigation

(2014) Xin Liu et al.   RSC Advances

Density functional theory calculations on the CO catalytic oxidation on Al-embedded graphene

(2014) Q. G. Jiang et al.   RSC Advances

The superior catalytic CO oxidation capacity of a Cr-phthalocyanine porous sheet

(2014) Yawei Li et al.   Scientific Reports

A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O2 Activation

(2014) Keke Mao et al.   Scientific Reports

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

(2014) S. Sinthika et al.   Journal of Materials Chemistry A

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Operando Raman spectroscopy and kinetic study of low-temperature CO oxidation on an α-Mn2O3 nanocatalyst

(2013) Jing Xu et al.   JOURNAL OF CATALYSIS

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

(2013) Sen Lin et al.   Journal of Physical Chemistry C

CO Self-Promoting Oxidation on Nanosized Gold Clusters: Triangular Au3 Active Site and CO Induced O–O Scission

(2013) Chunyan Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytically active single-atom niobium in graphitic layers

(2013) Xuefeng Zhang et al.   Nature Communications

A computational investigation of CO oxidation on ruthenium-embedded hexagonal boron nitride nanosheet

(2013) Caijin Huang et al.   Computational and Theoretical Chemistry

Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition

(2013) Shuhui Sun et al.   Scientific Reports

Stable colloidal boron nitride nanosheet dispersion and its potential application in catalysis

(2013) Caijin Huang et al.   Journal of Materials Chemistry A

Structural Selectivity of CO Oxidation on Fe/N/C Catalysts

(2012) P. Zhang et al.   Journal of Physical Chemistry C

Mechanisms of the Oxygen Reduction Reaction on Defective Graphene-Supported Pt Nanoparticles from First-Principles

(2012) Dong-Hee Lim et al.   Journal of Physical Chemistry C

CO oxidation catalyzed by silver nanoclusters: mechanism and effects of charge

(2012) Dianyong Tang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A theoretical simulation on the catalytic oxidation of CO on Pt/graphene

(2012) Yanan Tang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CO Oxidation as a Prototypical Reaction for Heterogeneous Processes

(2011) Hans-Joachim Freund et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CO catalytic oxidation on iron-embedded hexagonal boron nitride sheet

(2011) Peng Zhao et al.   CHEMICAL PHYSICS LETTERS

CO Catalytic Oxidation on Copper-Embedded Graphene

(2011) E. H. Song et al.   Journal of Physical Chemistry C

Fe-Anchored Graphene Oxide: A Low-Cost and Easily Accessible Catalyst for Low-Temperature CO Oxidation

(2011) Fengyu Li et al.   Journal of Physical Chemistry C

DFT Insight into CO Oxidation Catalyzed by Gold Nanoclusters: Charge Effect and Multi-State Reactivity

(2011) Dianyong Tang et al.   Journal of Physical Chemistry Letters

Single-atom catalysis of CO oxidation using Pt1/FeO x

(2011) Botao Qiao et al.   Nature Chemistry

CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts

(2010) Yafei Li et al.   Journal of Physical Chemistry C

A site-isolated mononuclear iridium complex catalyst supported on MgO: Characterization by spectroscopy and aberration-corrected scanning transmission electron microscopy

(2009) Alper Uzun et al.   JOURNAL OF CATALYSIS

Trends in CO Oxidation Rates for Metal Nanoparticles and Close-Packed, Stepped, and Kinked Surfaces

(2009) T. Jiang et al.   Journal of Physical Chemistry C

Metal-Embedded Graphene: A Possible Catalyst with High Activity

(2009) Yun-Hao Lu et al.   Journal of Physical Chemistry C

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments

(2009) Chuanhong Jin et al.   PHYSICAL REVIEW LETTERS

Coordinatively Unsaturated Al3+ Centers as Binding Sites for Active Catalyst Phases of Platinum on  -Al2O3

(2009) J. H. Kwak et al.   SCIENCE

Adsorption ofH2O,NH3, CO,NO2, and NO on graphene: A first-principles study

(2008) O. Leenaerts et al.   PHYSICAL REVIEW B