Catalytic activity of Co–Nx/C electrocatalysts for oxygen reduction reaction: a density functional theory study

Stability, Electronic and Magnetic Properties of In-Plane Defects in Graphene: A First-Principles Study

(2012) Shyam Kattel et al.   Journal of Physical Chemistry C

Density Functional Theory Study of Ni–Nx/C Electrocatalyst for Oxygen Reduction in Alkaline and Acidic Media

(2012) Shyam Kattel et al.   Journal of Physical Chemistry C

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

(2011) Liang Yu et al.   JOURNAL OF CATALYSIS

Factors controlling the energetics of the oxygen reduction reaction on the Pd-Co electro-catalysts: Insight from first principles

(2011) Sebastian Zuluaga et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Study of Possible Active Site Structures in Cobalt- Polypyrrole Catalysts for Oxygen Reduction Reaction

(2011) Zheng Shi et al.   Journal of Physical Chemistry C

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

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

A first principles study of oxygen reduction reaction on a Pt(111) surface modified by a subsurface transition metal M (M = Ni, Co, or Fe)

(2011) Zhiyao Duan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions

(2011) Federico Calle-Vallejo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theory, Synthesis, and Oxygen Reduction Catalysis of Fe-Porphyrin-Like Carbon Nanotube

(2011) Duck Hyun Lee et al.   PHYSICAL REVIEW LETTERS

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

(2011) G. Wu et al.   SCIENCE

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

(2010) Liangti Qu et al.   ACS Nano

Electrochemical oxygen reduction on nitrogen doped graphene sheets in acid media

(2010) Ki Rak Lee et al.   ELECTROCHEMISTRY COMMUNICATIONS

Electronic and Structural Distortions in Graphene Induced by Carbon Vacancies and Boron Doping

(2010) Ricardo Faccio et al.   Journal of Physical Chemistry C

Anion-Exchange Membrane Fuel Cells: Dual-Site Mechanism of Oxygen Reduction Reaction in Alkaline Media on Cobalt−Polypyrrole Electrocatalysts

(2010) Tim S. Olson et al.   Journal of Physical Chemistry C

In Search of the Active Site in Nitrogen-Doped Carbon Nanotube Electrodes for the Oxygen Reduction Reaction

(2010) Chitturi Venkateswara Rao 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

Divacancy-nitrogen-assisted transition metal dispersion and hydrogen adsorption in defective graphene: A first-principles study

(2010) Woon Ih Choi et al.   PHYSICAL REVIEW B

Chemical functionalization of pyridine-like and porphyrin-like nitrogen-doped carbon (CN x ) nanotubes with transition metal (TM) atoms: a theoretical study

(2010) Yan Shang et al.   THEORETICAL CHEMISTRY ACCOUNTS

A theoretical study on the interaction of aromatic amino acids with graphene and single walled carbon nanotube

(2009) Chinagandham Rajesh et al.   JOURNAL OF CHEMICAL PHYSICS

Catalytic Fe-xN Sites in Carbon Nanotubes

(2009) Alexey Titov et al.   Journal of Physical Chemistry C

Unraveling Oxygen Reduction Reaction Mechanisms on Carbon-Supported Fe-Phthalocyanine and Co-Phthalocyanine Catalysts in Alkaline Solutions

(2009) Rongrong Chen et al.   Journal of Physical Chemistry C

Bifunctional Oxygen Reduction Reaction Mechanism on Non-Platinum Catalysts Derived from Pyrolyzed Porphyrins

(2009) Tim S. Olson et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

(2009) J. Greeley et al.   Nature Chemistry

Iron-Based Catalysts with Improved Oxygen Reduction Activity in Polymer Electrolyte Fuel Cells

(2009) Michel Lefèvre et al.   SCIENCE

Increasing the activity of Fe/N/C catalysts in PEM fuel cell cathodes using carbon blacks with a high-disordered carbon content

(2008) Fanny Charreteur et al.   ELECTROCHIMICA ACTA

Influence of S and P Doping in a Graphene Sheet

(2008) Alejandra Garcia Garcia et al.   Journal of Computational and Theoretical Nanoscience

Carbon Alloy Catalysts: Active Sites for Oxygen Reduction Reaction

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

Direct Spectroscopic Observation of the Structural Origin of Peroxide Generation from Co-Based Pyrolyzed Porphyrins for ORR Applications

(2008) Joseph M. Ziegelbauer et al.   Journal of Physical Chemistry C

Fe/N/C non-precious catalysts for PEM fuel cells: Influence of the structural parameters of pristine commercial carbon blacks on their activity for oxygen reduction

(2007) Fanny Charreteur et al.   ELECTROCHIMICA ACTA

Investigation of Activity of Sputtered Transition-Metal (TM)–C–N (TM = V, Cr, Mn, Co, Ni) Catalysts for Oxygen Reduction Reaction

(2007) Ruizhi Yang et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY