Catalytic oxidation mechanisms of carbon monoxide over single and double vacancy Cr-embedded graphene

Construction of Cu–Ce/graphene catalysts via a one-step hydrothermal method and their excellent CO catalytic oxidation performance

(2018) Yinshuang Zhao et al.   RSC Advances

Isospecific, Chain Shuttling Polymerization of Propylene Oxide Using a Bimetallic Chromium Catalyst: A New Route to Semicrystalline Polyols

(2017) M. Ian Childers et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single Ni atom incorporated with pyridinic nitrogen graphene as an efficient catalyst for CO oxidation: first-principles investigation

(2017) Mingguang Wang et al.   RSC Advances

A comparative DFT study on the CO oxidation reaction over Al- and Ge-embedded graphene as efficient metal-free catalysts

(2016) Mehdi D. Esrafili et al.   APPLIED SURFACE SCIENCE

A DFT study on SO 3 capture and activation over Si- or Al-doped graphene

(2016) Mehdi D. Esrafili et al.   CHEMICAL PHYSICS LETTERS

Quest for magnetism in graphene via Cr- and Mo-doping: A DFT approach

(2016) Jyoti Thakur et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Pd-embedded graphene: An efficient and highly active catalyst for oxidation of CO

(2016) Mehdi D. Esrafili et al.   SUPERLATTICES AND MICROSTRUCTURES

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

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

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

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

The strong effect of substituents on the carbonyl reduction in graphene oxide: A DFT study

(2015) Wen-Hua Zhao et al.   Computational and Theoretical Chemistry

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

(2014) Yanan Tang et al.   APPLIED SURFACE SCIENCE

Transition metal atom embedded graphene for capturing CO: A first-principles study

(2014) Lei Wang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A DFT investigation of CO adsorption on VIIIB transition metal-doped graphene sheets

(2014) Banchob Wanno et al.   SUPERLATTICES AND MICROSTRUCTURES

Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina

(2014) Eric J. Peterson et al.   Nature Communications

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

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

The CO oxidation mechanism and reactivity on PdZn alloys

(2013) Ryan S. Johnson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption of atmospheric oxidants at divacancy sites of graphene: A DFT study

(2013) M. Oubal et al.   Computational and Theoretical Chemistry

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

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

Graphene supported nano particles of Pt–Ni for CO oxidation

(2012) Cheng Zhang et al.   APPLIED SURFACE SCIENCE

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

Si-embedded graphene: an efficient and metal-free catalyst for CO oxidation by N2O or O2

(2012) Jing-xiang Zhao et al.   THEORETICAL CHEMISTRY ACCOUNTS

Spatial control of defect creation in graphene at the nanoscale

(2012) Alex W. Robertson et al.   Nature Communications

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

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

Catalytic Oxidation of Carbon Monoxide over Transition Metal Oxides

(2010) Sébastien Royer et al.   ChemCatChem

Density Functional Theory Study of the Interaction of Carbon Monoxide with Bimetallic Co−Mn Clusters

(2010) Jinli Du et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2010) Yafei Li 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

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

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

CO oxidation on unsupported Au55, Ag55, and Au25Ag30 nanoclusters

(2008) C. M. Chang et al.   JOURNAL OF CHEMICAL PHYSICS

The Effect of Water on the CO Oxidation on Ag(111) and Au(111) Surfaces: A First-Principle Study

(2008) Hai-Yan Su et al.   Journal of Physical Chemistry C