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

Fluxionality of Au Clusters at Ceria Surfaces during CO Oxidation: Relationships among Reactivity, Size, Cohesion, and Surface Defects from DFT Simulations

(2013) Prasenjit Ghosh et al.   Journal of Physical Chemistry Letters

The Role of Reducible Oxide–Metal Cluster Charge Transfer in Catalytic Processes: New Insights on the Catalytic Mechanism of CO Oxidation on Au/TiO2 from ab Initio Molecular Dynamics

(2013) Yang-Gang Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First principles study on the hydrophilic and conductive graphene doped with Al atoms

(2013) Q. G. Jiang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical investigation on CO oxidation catalyzed by a copper nanocluster

(2013) Dianyong Tang et al.   RSC Advances

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

Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulfur

(2010) Pablo A. Denis   CHEMICAL PHYSICS LETTERS

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

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

High-capacity hydrogen storage in Al-adsorbed graphene

(2010) Z. M. Ao et al.   PHYSICAL REVIEW B

Adsorption of molecular oxygen on doped graphene: Atomic, electronic, and magnetic properties

(2010) Jiayu Dai et al.   PHYSICAL REVIEW B

Gas adsorption on graphene doped with B, N, Al, and S: A theoretical study

(2009) Jiayu Dai et al.   APPLIED PHYSICS LETTERS

Metal-Embedded Graphene: A Possible Catalyst with High Activity

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

Inverse CeO2/CuO Catalyst As an Alternative to Classical Direct Configurations for Preferential Oxidation of CO in Hydrogen-Rich Stream

(2009) A. Hornés et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Low-temperature oxidation of CO catalysed by Co3O4 nanorods

(2009) Xiaowei Xie et al.   NATURE

Influence of the exchange–correlation potential on the description of the molecular mechanism of oxygen dissociation by Au nanoparticles

(2009) Alberto Roldán et al.   THEORETICAL CHEMISTRY ACCOUNTS

Enhancement of CO detection in Al doped graphene

(2008) Z.M. Ao et al.   CHEMICAL PHYSICS LETTERS

Superior Thermal Conductivity of Single-Layer Graphene

(2008) Alexander A. Balandin et al.   NANO LETTERS

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

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

Identification of Active Gold Nanoclusters on Iron Oxide Supports for CO Oxidation

(2008) A. A. Herzing et al.   SCIENCE

CO Oxidation Catalyzed by Single-Walled Helical Gold Nanotube

(2007) Wei An et al.   NANO LETTERS