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

Synthesis of 3D graphite oxide-exfoliated carbon nanotube carbon composite and its application as catalyst support for fuel cells

(2014) Hailin Wang et al.   JOURNAL OF POWER SOURCES

Density functional theory study of the oxygen reduction reaction mechanism in a BN co-doped graphene electrocatalyst

(2014) Shyam Kattel et al.   Journal of Materials Chemistry A

h-BN Monolayer on the Ni(111) Surface: A Potential Catalyst for Oxidation

(2013) A. H. M. Abdul Wasey et al.   ACS Applied Materials & Interfaces

Formation, Stabilities, and Electronic and Catalytic Performance of Platinum Catalyst Supported on Non-Metal-Doped Graphene

(2013) Yanan Tang et al.   Journal of Physical Chemistry C

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

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

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

Concentration dependence of the band gaps of phosphorus and sulfur doped graphene

(2012) Pablo A. Denis   COMPUTATIONAL MATERIALS SCIENCE

CO oxidation on metal-free nitrogen-doped carbon nanotubes and the related structure–reactivity relationships

(2012) Xingbang Hu et al.   JOURNAL OF MATERIALS CHEMISTRY

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

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

First-Principles Identification of Iodine Exchange Mechanism in Iodide Ionic Liquid

(2012) Ranjit Thapa et al.   Journal of Physical Chemistry Letters

Vertically Aligned Carbon Nanotube Arrays Co-doped with Phosphorus and Nitrogen as Efficient Metal-Free Electrocatalysts for Oxygen Reduction

(2012) Dingshan Yu et al.   Journal of Physical Chemistry Letters

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

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

CO oxidation on Pt nanoclusters, size and coverage effects: a density functional theory study

(2012) Sergey Dobrin   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 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

Density functional theory in surface chemistry and catalysis

(2011) J. K. Norskov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Nitrogen-Doped Graphene as Efficient Metal-Free Electrocatalyst for Oxygen Reduction in Fuel Cells

(2010) Liangti Qu et al.   ACS Nano

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

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

Metal-Free Carbon Nanomaterials Become More Active than Metal Catalysts and Last Longer

(2010) Dingshan Yu et al.   Journal of Physical Chemistry Letters

Atom-by-atom structural and chemical analysis by annular dark-field electron microscopy

(2010) Ondrej L. Krivanek et al.   NATURE

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

Geometric and electronic structure and reactivity of a mononuclear ‘side-on’ nickel(iii)–peroxo complex

(2009) Jaeheung Cho et al.   Nature Chemistry

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

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

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction

(2009) K. Gong et al.   SCIENCE

Trends in the Catalytic CO Oxidation Activity of Nanoparticles

(2008) Hanne Falsig et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION