First principles study of oxygen molecule interaction with the graphitic active sites of a boron-doped pyrolyzed Fe–N–C catalyst

Oxygen adsorption and CO desorption behavior of B- and N-doped vacancy defected nuclear graphite by DFT study

(2017) Juan Liu et al.   RSC Advances

Recent Advances in Electrocatalysts for Oxygen Reduction Reaction

(2016) Minhua Shao et al.   CHEMICAL REVIEWS

Synergistic effect of boron/nitrogen co-doping into graphene and intercalation of carbon black for Pt-BCN-Gr/CB hybrid catalyst on cell performance of polymer electrolyte membrane fuel cell

(2016) W.H. Lee et al.   ENERGY

On an Easy Way To Prepare Metal–Nitrogen Doped Carbon with Exclusive Presence of MeN4-type Sites Active for the ORR

(2016) Ulrike I. Kramm et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding the High Activity of Fe–N–C Electrocatalysts in Oxygen Reduction: Fe/Fe3C Nanoparticles Boost the Activity of Fe–Nx

(2016) Wen-Jie Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modeling Fe/N/C Catalysts in Monolayer Graphene

(2016) Xiao-Dong Yang et al.   ACS Catalysis

Nitrogen-Doped Graphene with Pyridinic Dominance as a Highly Active and Stable Electrocatalyst for Oxygen Reduction

(2015) Jingjie Wu et al.   ACS Applied Materials & Interfaces

Boron-Doped, Nitrogen-Doped, and Codoped Graphene on Cu(111): A DFT + vdW Study

(2015) Lara Ferrighi et al.   Journal of Physical Chemistry C

Identification of catalytic sites for oxygen reduction in iron- and nitrogen-doped graphene materials

(2015) Andrea Zitolo et al.   NATURE MATERIALS

Oxygen reduction reaction on neighboring Fe–N4 and quaternary-N sites of pyrolized Fe/N/C catalyst

(2015) Adhitya G. Saputro et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Bifunctional Electrocatalytic Activity of Boron-Doped Graphene Derived from Boron Carbide

(2015) Thazhe Veettil Vineesh et al.   Advanced Energy Materials

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

(2015) Scott Kirklin et al.   npj Computational Materials

Reaction Pathway for Oxygen Reduction on FeN4 Embedded Graphene

(2014) Shyam Kattel et al.   Journal of Physical Chemistry Letters

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

(2014) Csaba E. Szakacs et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A density functional theory study of oxygen reduction reaction on non-PGM Fe–Nx–C electrocatalysts

(2014) Shyam Kattel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fe-N-C Oxygen Reduction Fuel Cell Catalyst Derived from Carbendazim: Synthesis, Structure, and Reactivity

(2014) Alexey Serov et al.   Advanced Energy Materials

Two-step synthesis of boron and nitrogen co-doped graphene as a synergistically enhanced catalyst for the oxygen reduction reaction

(2014) Jiapo Tai et al.   RSC Advances

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

Two-Step Boron and Nitrogen Doping in Graphene for Enhanced Synergistic Catalysis

(2013) Yao Zheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Can Boron and Nitrogen Co-doping Improve Oxygen Reduction Reaction Activity of Carbon Nanotubes?

(2013) Yu Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of nitrogen doped graphene with high electrocatalytic activity toward oxygen reduction reaction

(2012) Bo Zheng et al.   ELECTROCHEMISTRY COMMUNICATIONS

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

(2012) Yexin Feng et al.   PHYSICAL REVIEW B

Addressing the terawatt challenge: scalability in the supply of chemical elements for renewable energy

(2012) Peter C. K. Vesborg et al.   RSC Advances

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

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

Synthesis of boron doped graphene for oxygen reduction reaction in fuel cells

(2011) Zhen-Huan Sheng et al.   JOURNAL OF MATERIALS CHEMISTRY

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

(2010) Liangti Qu et al.   ACS Nano

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

(2010) Jiayu Dai et al.   PHYSICAL REVIEW B

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

Supercell size scaling of density functional theory formation energies of charged defects

(2009) N. D. M. Hine et al.   PHYSICAL REVIEW B