A density functional theory study of catalytic sites for oxygen reduction in Fe/N/C catalysts used in H2/O2 fuel cells

Density functional theory calculations of XPS binding energy shift for nitrogen-containing graphene-like structures

(2013) K. Artyushkova et al.   CHEMICAL COMMUNICATIONS

The atomic structures of carbon nitride sheets for cathode oxygen reduction catalysis

(2013) Yexin Feng et al.   JOURNAL OF CHEMICAL PHYSICS

Catalytic Properties of Transition Metal–N4 Moieties in Graphene for the Oxygen Reduction Reaction: Evidence of Spin-Dependent Mechanisms

(2013) Walter Orellana   Journal of Physical Chemistry C

A density functional theory study of oxygen reduction reaction on Me–N4 (Me = Fe, Co, or Ni) clusters between graphitic pores

(2013) Shyam Kattel et al.   Journal of Materials Chemistry A

The effects of the ligand, central metal, and solvent on the O2 binding of non-precious metal catalyst model systems: An ab initio study

(2012) Hongjuan Zhu et al.   ELECTROCHIMICA ACTA

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

DFT Study of Polyaniline and Metal Composites as Nonprecious Metal Catalysts for Oxygen Reduction in Fuel Cells

(2012) Xin Chen et al.   Journal of Physical Chemistry C

Molecular and Electronic Structures of Transition-Metal Macrocyclic Complexes as Related to Catalyzing Oxygen Reduction Reactions: A Density Functional Theory Study

(2012) Hui He et al.   Journal of Physical Chemistry C

Effect of Microstructure of Nitrogen-Doped Graphene on Oxygen Reduction Activity in Fuel Cells

(2012) Lipeng Zhang et al.   LANGMUIR

Electrocatalyst approaches and challenges for automotive fuel cells

(2012) Mark K. Debe   NATURE

Structure of the catalytic sites in Fe/N/C-catalysts for O2-reduction in PEM fuel cells

(2012) Ulrike I. Kramm et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2012) Andrey Lyalin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2012) Shyam Kattel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuning the catalytic property of nitrogen-doped graphene for cathode oxygen reduction reaction

(2012) Yexin Feng et al.   PHYSICAL REVIEW B

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

(2012) Annett Rabis et al.   ACS Catalysis

Graphene-Based Non-Noble-Metal Catalysts for Oxygen Reduction Reaction in Acid

(2011) Hye Ryung Byon et al.   CHEMISTRY OF MATERIALS

A review on non-precious metal electrocatalysts for PEM fuel cells

(2011) Zhongwei Chen et al.   Energy & Environmental Science

Non precious metal catalysts for the PEM fuel cell cathode

(2011) Rapidah Othman et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Unveiling N-Protonation and Anion-Binding Effects on Fe/N/C Catalysts for O2 Reduction in Proton-Exchange-Membrane Fuel Cells

(2011) Juan Herranz et al.   Journal of Physical Chemistry C

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

On the mechanism of enhanced oxygen reduction reaction in nitrogen-doped graphene nanoribbons

(2011) Heejin Kim 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

Iron-based cathode catalyst with enhanced power density in polymer electrolyte membrane fuel cells

(2011) Eric Proietti et al.   Nature Communications

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

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

Catalytic Fe-xN Sites in Carbon Nanotubes

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

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

(2009) Michel Lefèvre et al.   SCIENCE

Nature of the Catalytic Centers of Porphyrin-Based Electrocatalysts for the ORR: A Correlation of Kinetic Current Density with the Site Density of Fe−N4 Centers

(2008) Ulrike I. Koslowski 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