N‐Doped Graphene Supported on Metal‐Iron Carbide as a Catalyst for the Oxygen Reduction Reaction: Density Functional Theory Study

57 Fe-Mössbauer spectroscopy and electrochemical activities of graphitic layer encapsulated iron electrocatalysts for the oxygen reduction reaction

(2018) Lijie Zhong et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Highly efficient electrocatalyst of N-doped graphene-encapsulated cobalt-iron carbides towards oxygen reduction reaction

(2018) Jagadis Gautam et al.   CARBON

DFT study of stabilization effects on N-doped graphene for ORR catalysis

(2018) Mateusz Reda et al.   CATALYSIS TODAY

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction

(2018) Ambarish Kulkarni et al.   CHEMICAL REVIEWS

Heterostructures of MXenes and N-doped graphene as highly active bifunctional electrocatalysts

(2018) Si Zhou et al.   Nanoscale

The rise of two-dimensional MoS2 for catalysis

(2018) Jun Mao et al.   Frontiers of Physics

Comparative Study of the ORR Activity and Stability of Pt and PtM (M = Ni, Co, Cr, Pd) Supported on Polyaniline/Carbon Nanotubes in a PEM Fuel Cell

(2018) Duanghathai Kaewsai et al.   Nanomaterials

DFT Study of the Oxygen Reduction Reaction on Carbon-Coated Iron and Iron Carbide

(2018) Mateusz Reda et al.   ACS Catalysis

Encapsulated iron-based oxygen reduction electrocatalysts by high pressure pyrolysis

(2017) Lijie Zhong et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

The atomic simulation environment—a Python library for working with atoms

(2017) Ask Hjorth Larsen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Direct atomic-level insight into the active sites of a high-performance PGM-free ORR catalyst

(2017) Hoon T. Chung et al.   SCIENCE

Current Status and Future Development of Catalyst Materials and Catalyst Layers for Proton Exchange Membrane Fuel Cells: An Industrial Perspective

(2017) Dustin Banham et al.   ACS Energy Letters

Functional Independent Scaling Relation for ORR/OER Catalysts

(2016) Rune Christensen et al.   Journal of Physical Chemistry C

Understanding the surface segregation behavior of transition metals on Ni(111): a first-principles study

(2016) Yanlin Yu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Identification of carbon-encapsulated iron nanoparticles as active species in non-precious metal oxygen reduction catalysts

(2016) Jason A. Varnell et al.   Nature Communications

Theoretical Study of Heteroatom Doping in Tuning the Catalytic Activity of Graphene for Triiodide Reduction

(2016) Jian-Fu Chen et al.   ACS Catalysis

Towards a comprehensive understanding of FeCo coated with N-doped carbon as a stable bi-functional catalyst in acidic media

(2016) Seung Hyo Noh et al.   NPG Asia Materials

Transition metals (Fe, Co, and Ni) encapsulated in nitrogen-doped carbon nanotubes as bi-functional catalysts for oxygen electrode reactions

(2016) Yanyan Liu et al.   Journal of Materials Chemistry A

Structure, Electronic, and Magnetic Properties of Binary PtnTM55–n (TM = Fe, Co, Ni, Cu, Zn) Nanoclusters: A Density Functional Theory Investigation

(2015) Diego Guedes-Sobrinho 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

A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

(2015) Jess Wellendorff et al.   SURFACE SCIENCE

Identifying systematic DFT errors in catalytic reactions

(2015) Rune Christensen et al.   Catalysis Science & Technology

Fe3C-based oxygen reduction catalysts: synthesis, hollow spherical structures and applications in fuel cells

(2015) Yang Hu et al.   Journal of Materials Chemistry A

Design of an active and durable catalyst for oxygen reduction reactions using encapsulated Cu with N-doped carbon shells (Cu@N-C) activated by CO2 treatment

(2015) Seung Hyo Noh et al.   Journal of Materials Chemistry A

High-density iron nanoparticles encapsulated within nitrogen-doped carbon nanoshell as efficient oxygen electrocatalyst for zinc–air battery

(2015) Jing Wang et al.   Nano Energy

Hollow Spheres of Iron Carbide Nanoparticles Encased in Graphitic Layers as Oxygen Reduction Catalysts

(2014) Yang Hu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

First Principles Study of Morphology, Doping Level, and Water Solvation Effects on the Catalytic Mechanism of Nitrogen-Doped Graphene in the Oxygen Reduction Reaction

(2014) Dohyun Kwak et al.   ChemCatChem

First principles study of oxygen reduction reaction mechanisms on N-doped graphene with a transition metal support

(2014) Seung Hyo Noh et al.   ELECTROCHIMICA ACTA

Intrinsic Relationship between Enhanced Oxygen Reduction Reaction Activity and Nanoscale Work Function of Doped Carbons

(2014) Jae Yeong Cheon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cation Size Mismatch and Charge Interactions Drive Dopant Segregation at the Surfaces of Manganite Perovskites

(2013) Wonyoung Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iron Encapsulated within Pod-like Carbon Nanotubes for Oxygen Reduction Reaction

(2012) Dehui Deng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Oxygen Reduction Reaction on Nitrogen-Doped Graphene

(2012) Felix Studt   CATALYSIS LETTERS

First-principles study of the oxygen adsorption and dissociation on graphene and nitrogen doped graphene for Li-air batteries

(2012) H. J. Yan et al.   JOURNAL OF APPLIED PHYSICS

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

(2012) Venkatasubramanian Viswanathan et al.   ACS Catalysis

Performance investigation of a transportation PEM fuel cell system

(2011) S.O. Mert et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

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

(2011) Liang Yu et al.   JOURNAL OF CATALYSIS

Effect of Solvation on the Oxygen Reduction Reaction on Pt Catalyst

(2011) Stephen P. Walch   Journal of Physical Chemistry C

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

(2011) G. Wu et al.   SCIENCE

A review of polymer electrolyte membrane fuel cells: Technology, applications, and needs on fundamental research

(2010) Yun Wang et al.   APPLIED ENERGY

Review of the proton exchange membranes for fuel cell applications

(2010) S.J. Peighambardoust et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

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

(2009) Michel Lefèvre et al.   SCIENCE