Theoretical predictions for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction

Oxygen activation and dissociation on h-BN supported Au atoms

(2012) Min Gao et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Catalytic Activity of Au and Au2 on the h-BN Surface: Adsorption and Activation of O2

(2012) Min Gao et al.   Journal of Physical Chemistry C

High-yield boron nitride nanosheets from ‘chemical blowing’: towards practical applications in polymer composites

(2012) Xuebin Wang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electron Tunneling through Ultrathin Boron Nitride Crystalline Barriers

(2012) Liam Britnell et al.   NANO LETTERS

Electrocatalysis for Polymer Electrolyte Fuel Cells: Recent Achievements and Future Challenges

(2012) Annett Rabis et al.   ACS Catalysis

“Chemical Blowing” of Thin-Walled Bubbles: High-Throughput Fabrication of Large-Area, Few-Layered BN and Cx-BN Nanosheets

(2011) Xuebin Wang et al.   ADVANCED MATERIALS

A computational investigation of H2 adsorption and dissociation on Au nanoparticles supported on TiO2 surface

(2011) Andrey Lyalin et al.   FARADAY DISCUSSIONS

Synthesis and characterization of Cu@Pt/C core-shell structured catalysts for proton exchange membrane fuel cell

(2011) Hong Zhu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Theoretical study of vacancies and adatoms in white graphene

(2011) A. A. Kuzubov et al.   JETP LETTERS

Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study

(2011) Liang Yu et al.   JOURNAL OF CATALYSIS

Density functional theory-based electrochemical models for the oxygen reduction reaction: Comparison of modeling approaches for electric field and solvent effects

(2011) Kuan-Yu Yeh et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mechanisms of Oxygen Reduction Reaction on Nitrogen-Doped Graphene for Fuel Cells

(2011) Lipeng Zhang et al.   Journal of Physical Chemistry C

Selective nitrogen doping in graphene: Enhanced catalytic activity for the oxygen reduction reaction

(2011) Xianlong Wang et al.   PHYSICAL REVIEW B

High-Performance Electrocatalysts for Oxygen Reduction Derived from Polyaniline, Iron, and Cobalt

(2011) G. Wu et al.   SCIENCE

Role of the Support Effects on the Catalytic Activity of Gold Clusters: A Density Functional Theory Study

(2011) Min Gao et al.   Catalysts

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

(2010) Liangti Qu et al.   ACS Nano

Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)

(2010) John A. Keith et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111)

(2010) John A. Keith et al.   CHEMPHYSCHEM

Oxygen reduction reaction activities of Ni/Pt(111) model catalysts fabricated by molecular beam epitaxy

(2010) Toshimasa Wadayama et al.   ELECTROCHEMISTRY COMMUNICATIONS

The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations

(2010) Vladimir Tripković et al.   ELECTROCHIMICA ACTA

Adsorption of Ethylene on Neutral, Anionic, and Cationic Gold Clusters

(2010) Andrey Lyalin et al.   Journal of Physical Chemistry C

Enhanced Catalytic Activity of Carbon Alloy Catalysts Codoped with Boron and Nitrogen for Oxygen Reduction Reaction

(2010) Takashi Ikeda et al.   Journal of Physical Chemistry C

Reactant-Promoted Oxygen Dissociation on Gold Clusters

(2010) Andrey Lyalin et al.   Journal of Physical Chemistry Letters

Theoretical Study of Solvent Effects on the Platinum-Catalyzed Oxygen Reduction Reaction

(2010) Yao Sha et al.   Journal of Physical Chemistry Letters

“White Graphenes”: Boron Nitride Nanoribbons via Boron Nitride Nanotube Unwrapping

(2010) Haibo Zeng et al.   NANO LETTERS

Electronic and magnetic properties of a BN sheet decorated with hydrogen and fluorine

(2010) Jian Zhou et al.   PHYSICAL REVIEW B

Non-precious oxygen reduction catalysts prepared by high-pressure pyrolysis for low-temperature fuel cells

(2009) R. Kothandaraman et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Electronic structure of defects in a boron nitride monolayer

(2009) S. Azevedo et al.   EUROPEAN PHYSICAL JOURNAL B

Cooperative Adsorption of O2 and C2H4 on Small Gold Clusters

(2009) Andrey Lyalin et al.   Journal of Physical Chemistry C

First-principles calculation of the electronic properties of graphene clusters doped with nitrogen and boron: Analysis of catalytic activity for the oxygen reduction reaction

(2009) Sheng-Feng Huang et al.   PHYSICAL REVIEW B

Theory and simulation in heterogeneous gold catalysis

(2008) Rudy Coquet et al.   CHEMICAL SOCIETY REVIEWS

Carbon Alloy Catalysts: Active Sites for Oxygen Reduction Reaction

(2008) Takashi Ikeda et al.   Journal of Physical Chemistry C

Bonding of hexagonal BN to transition metal surfaces: Anab initiodensity-functional theory study

(2008) Robert Laskowski et al.   PHYSICAL REVIEW B