Improving platinum group metal–free oxygen reduction reaction electrocatalyst activity: suggestions from density functional theory studies

Elastic straining of free-standing monolayer graphene

(2020) Ke Cao et al.   Nature Communications

Unveiling the Axial Hydroxyl Ligand on FeN 4 C Electrocatalysts and Its Impact on the pH‐Dependent Oxygen Reduction Activities and Poisoning Kinetics

(2020) Xin Yang et al.   Advanced Science

Progress in the Development of Fe-Based PGM-Free Electrocatalysts for the Oxygen Reduction Reaction

(2019) Ulises Martinez et al.   ADVANCED MATERIALS

Iron-Free Cathode Catalysts for Proton-Exchange-Membrane Fuel Cells: Cobalt Catalysts and the Peroxide Mitigation Approach

(2019) Xiao Xia Wang et al.   ADVANCED MATERIALS

Principles of Dynamic Heterogeneous Catalysis: Surface Resonance and Turnover Frequency Response

(2019) Matthew Alexander Ardagh et al.   ACS Catalysis

Pathways for O2 Electroreduction over Substitutional FeN4, HOFeN4, and OFeN4 in Graphene Bulk Sites: Critical Evaluation of Overpotential Predictions Using LGER and CHE Models

(2019) Alfred B. Anderson et al.   Journal of Physical Chemistry C

Improving the Activity of M−N 4 Catalysts for the Oxygen Reduction Reaction by Electrolyte Adsorption

(2019) Katrine L. Svane et al.   ChemSusChem

Recent Insights into the Oxygen-Reduction Electrocatalysis of Fe/N/C Materials

(2019) Wang Wang et al.   ACS Catalysis

Breaking the scaling relations for oxygen reduction reaction on nitrogen-doped graphene by tensile strain

(2018) Yue Xie et al.   CARBON

Climbing the 3D Volcano for the Oxygen Reduction Reaction Using Porphyrin Motifs

(2018) Hao Wan et al.   ACS Sustainable Chemistry & Engineering

Mn- and N- doped carbon as promising catalysts for oxygen reduction reaction: Theoretical prediction and experimental validation

(2018) Kexi Liu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Role of Local Carbon Structure Surrounding FeN4 Sites in Boosting the Catalytic Activity for Oxygen Reduction

(2017) Kexi Liu et al.   Journal of Physical Chemistry C

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

(2017) Hoon T. Chung et al.   SCIENCE

Theoretical Heterogeneous Catalysis: Scaling Relationships and Computational Catalyst Design

(2016) Jeffrey Greeley   Annual Review of Chemical and Biomolecular Engineering

Beyond the top of the volcano? – A unified approach to electrocatalytic oxygen reduction and oxygen evolution

(2016) Michael Busch et al.   Nano Energy

Linking structure to function: The search for active sites in non-platinum group metal oxygen reduction reaction catalysts

(2016) Edward F. Holby et al.   Nano Energy

Chemistry of Multitudinous Active Sites for Oxygen Reduction Reaction in Transition Metal–Nitrogen–Carbon Electrocatalysts

(2015) Kateryna Artyushkova et al.   Journal of Physical Chemistry C

Quantifying the density and utilization of active sites in non-precious metal oxygen electroreduction catalysts

(2015) Nastaran Ranjbar Sahraie et al.   Nature Communications

Activity of N-coordinated multi-metal-atom active site structures for Pt-free oxygen reduction reaction catalysis: Role of *OH ligands

(2015) Edward F. Holby et al.   Scientific Reports

Active Sites and Mechanisms for Oxygen Reduction Reaction on Nitrogen-Doped Carbon Alloy Catalysts: Stone–Wales Defect and Curvature Effect

(2014) Guo-Liang Chai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Dissociation of oxygen on pristine and nitrogen-doped carbon nanotubes: a spin-polarized density functional study

(2014) Divya Srivastava et al.   RSC Advances

Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis

(2013) Marc T. M. Koper   Chemical Science

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

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

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

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

(2012) Venkatasubramanian Viswanathan et al.   ACS Catalysis

Insights into electrocatalysis

(2011) Alfred B. Anderson   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Lattice-strain control of the activity in dealloyed core–shell fuel cell catalysts

(2010) Peter Strasser et al.   Nature Chemistry