Tuning the adsorption and interaction of CO and O2 on graphene-like BC3-supported non-noble metal atoms

DFT study of adsorption behavior of NO, CO, NO 2 , and NH 3 molecules on graphene-like BC 3 : A search for highly sensitive molecular sensor

(2018) Sadegh Mehdi Aghaei et al.   APPLIED SURFACE SCIENCE

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

(2017) Zhansheng Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption sensitivity of metal atom decorated bilayer graphene toward toxic gas molecules (CO, NO, SO 2 and HCN)

(2017) Yanan Tang et al.   SENSORS AND ACTUATORS B-CHEMICAL

Electronic structures and quantum capacitance of monolayer and multilayer graphenes influenced by Al, B, N and P doping, and monovacancy: Theoretical study

(2016) Pussana Hirunsit et al.   CARBON

3 d transition metal embedded C 2 N monolayers as promising single-atom catalysts: A first-principles study

(2016) D.W. Ma et al.   CARBON

Graphdiyne-supported single-atom Sc and Ti catalysts for high-efficient CO oxidation

(2016) Zheng-Zhe Lin   CARBON

Iron-embedded C2N monolayer: a promising low-cost and high-activity single-atom catalyst for CO oxidation

(2016) B. L. He 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

High catalytic activity for CO oxidation on single Fe atom stabilized in graphene vacancies

(2016) Yanan Tang et al.   RSC Advances

Reaction mechanisms for CO catalytic oxidation on monodisperse Mo atom-embedded graphene

(2015) Yanan Tang et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Adsorption behavior of Co anchored on graphene sheets toward NO, SO2, NH3, CO and HCN molecules

(2015) Yanan Tang et al.   APPLIED SURFACE SCIENCE

A first-principles study on gas sensing properties of graphene and Pd-doped graphene

(2015) Ling Ma et al.   APPLIED SURFACE SCIENCE

Novel catalytic activity for oxygen reduction reaction on MnN4 embedded graphene: A dispersion-corrected density functional theory study

(2015) Zhansheng Lu et al.   CARBON

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

(2015) D.W. Ma et al.   CARBON

Strain-induced semiconductor to metal transition in few-layer black phosphorus from first principles

(2015) Weiwei Ju et al.   CHEMICAL PHYSICS LETTERS

Improving the adsorption behavior and reaction activity of Co-anchored graphene surface toward CO and O2 molecules

(2015) Yanan Tang et al.   SENSORS AND ACTUATORS B-CHEMICAL

DNA nucleobase interaction with graphene like BC 3 nano-sheet based on density functional theory calculations

(2015) Majid Eslami et al.   THIN SOLID FILMS

Nitrogenated holey two-dimensional structures

(2015) Javeed Mahmood et al.   Nature Communications

CO catalytic oxidation on Al-doped graphene-like ZnO monolayer sheets: a first-principles study

(2015) Dongwei Ma et al.   Journal of Materials Chemistry C

Chemical Vapor Deposition of N-Doped Graphene and Carbon Films: The Role of Precursors and Gas Phase

(2014) Yoshikazu Ito et al.   ACS Nano

Theoretical study on the Si-doped graphene as an efficient metal-free catalyst for CO oxidation

(2014) Yanan Tang et al.   APPLIED SURFACE SCIENCE

Tuning the catalytic property of non-noble metallic impurities in graphene

(2014) Yanan Tang et al.   CARBON

An atlas of two-dimensional materials

(2014) Pere Miró et al.   CHEMICAL SOCIETY REVIEWS

Functionalization of the pristine and stone-wales defected BC3 graphenes with pyrene

(2014) Ali Ahmadi Peyghan et al.   JOURNAL OF MOLECULAR MODELING

Adsorption of H2S at Stone–Wales defects of graphene-like BC3: a computational study

(2014) Ali Ahmadi Peyghan et al.   MOLECULAR PHYSICS

Two-dimensional material nanophotonics

(2014) Fengnian Xia et al.   Nature Photonics

A theoretical insight into surface reactivity of nitrogen-doped BC3 nanotubes

(2014) Mehdi D. Esrafili et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Tunable electronic properties induced by a defect-substrate in graphene/BC3heterobilayers

(2014) Sheng-shi Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Formation and catalytic activity of Pt supported on oxidized graphene for the CO oxidation reaction

(2014) Yanan Tang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational Study

(2014) Fengyu Li et al.   ACS Catalysis

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

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

Tunable electronic and magnetic properties of graphene-like ZnO monolayer upon doping and CO adsorption: a first-principles study

(2014) Yong-Hui Zhang 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

Modulating magnetic characteristics of Pt embedded graphene by gas adsorption (N2, O2, NO2, SO2)

(2013) Youngbin Lee et al.   APPLIED SURFACE SCIENCE

Study on carbon deposition associated with catalytic CH4 reforming by using density functional theory

(2013) Hongyan Liu et al.   FUEL

Density functional theory calculations of hydrogen adsorption on Ti-, Zn-, Zr-, Al-, and N-doped and intrinsic graphene sheets

(2013) Hong-ping Zhang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

NH3 on a BC3 nanotube: effect of doping and decoration of aluminum

(2013) Ali Ahmadi Peyghan et al.   JOURNAL OF MOLECULAR MODELING

DFT studies of Si- and Al-doping effects on the acetone sensing properties of BC3 graphene

(2013) Morteza Moradi et al.   MOLECULAR PHYSICS

Graphene-related nanomaterials: tuning properties by functionalization

(2013) Qing Tang et al.   Nanoscale

Role of sodium decoration on the methane storage properties of BC3 nanosheet

(2013) Morteza Moradi et al.   STRUCTURAL CHEMISTRY

The use of nitrogen-doped graphene supporting Pt nanoparticles as a catalyst for methanol electrocatalytic oxidation

(2012) Bin Xiong et al.   CARBON

Reaction Mechanisms for CO Catalytic Oxidation by N2O on Fe-Embedded Graphene

(2012) Sippakorn Wannakao et al.   Journal of Physical Chemistry C

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

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

Sulfur-Doped Graphene as an Efficient Metal-free Cathode Catalyst for Oxygen Reduction

(2011) Zhi Yang et al.   ACS Nano

Metallic Impurities in Graphenes Prepared from Graphite Can Dramatically Influence Their Properties

(2011) Adriano Ambrosi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CO Oxidation as a Prototypical Reaction for Heterogeneous Processes

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

Strong spin–orbit splitting in graphene with adsorbed Au atoms

(2011) Dongwei Ma et al.   CARBON

Trapping of metal atoms in the defects on graphene

(2011) Yanan Tang et al.   JOURNAL OF CHEMICAL PHYSICS

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

Structural and electronic properties of hydrogen adsorptions on BC3sheet and graphene: a comparative study

(2011) Feng-Chuan Chuang et al.   NANOTECHNOLOGY

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

(2011) Botao Qiao et al.   Nature Chemistry

Carbon-Based Supercapacitors Produced by Activation of Graphene

(2011) Y. Zhu et al.   SCIENCE

Greatly enhanced adsorption and catalytic activity of Au and Pt clusters on defective graphene

(2010) Miao Zhou et al.   JOURNAL OF CHEMICAL PHYSICS

Structural, Electronic, and Magnetic Properties of Defects in the BC3 Sheet from First Principles

(2010) Yi Ding et al.   Journal of Physical Chemistry C

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

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

Migration of gold atoms in graphene ribbons: Role of the edges

(2010) Wei Zhang et al.   PHYSICAL REVIEW B

Magnetism of substitutional Co impurities in graphene: Realization of singleπvacancies

(2010) E. J. G. Santos et al.   PHYSICAL REVIEW B

Metal-Embedded Graphene: A Possible Catalyst with High Activity

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

Embedding Transition-Metal Atoms in Graphene: Structure, Bonding, and Magnetism

(2009) A. V. Krasheninnikov et al.   PHYSICAL REVIEW LETTERS

Graphene: Status and Prospects

(2009) A. K. Geim   SCIENCE

First-principles study of metal adatom adsorption on graphene

(2008) Kevin T. Chan et al.   PHYSICAL REVIEW B

CO Oxidation Catalyzed by Single-Walled Helical Gold Nanotube

(2007) Wei An et al.   NANO LETTERS