Mn–graphene single-atom catalyst evaluated for CO oxidation by computational screening

The initial stages of melting of graphene between 4000 K and 6000 K

(2017) Eric Ganz et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

DFT investigation of Ni-doped graphene: catalytic ability to CO oxidation

(2016) Xian-Yan Xu et al.   NEW JOURNAL OF CHEMISTRY

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

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

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

Unique Reactivity of Transition Metal Atoms Embedded in Graphene to CO, NO, O2 and O Adsorption: A First-Principles Investigation

(2015) Minmin Chu et al.   MOLECULES

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

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

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

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

CO oxidation catalyzed by Pt-embedded graphene: a first-principles investigation

(2014) Xin Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

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

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

CO Catalytic Oxidation on Copper-Embedded Graphene

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

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

Icosahedral Crown Gold Nanocluster Au43Cu12with High Catalytic Activity

(2010) Yi Gao et al.   NANO LETTERS

Metal-Embedded Graphene: A Possible Catalyst with High Activity

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

Roles of Surface Steps on Pt Nanoparticles in Electro-oxidation of Carbon Monoxide and Methanol

(2009) Seung Woo Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

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