Boron Coordination Effect in Ni−N x Doped Graphene Catalysts on the ORR Performance Based on DFT Calculations

Tuning Single Atom Catalysts of Nitrogen-Coordinated Transition Metals for Optimizing Oxygen Evolution and Reduction Reactions

(2020) Mingyu Hu et al.   Journal of Physical Chemistry C

Metal‐Nitrogen‐Doped Carbon Materials as Highly Efficient Catalysts: Progress and Rational Design

(2020) Zhangsheng Shi et al.   Advanced Science

Transition metal-Nx doped graphene as an efficient oxygen reduction reaction catalyst: A theoretical perspective

(2020) Mingwei Chen et al.   Computational and Theoretical Chemistry

Coordination Engineering of Single‐Atom Catalysts for the Oxygen Reduction Reaction: A Review

(2020) Jincheng Zhang et al.   Advanced Energy Materials

Copper ferrite nanospheres composites mixed with carbon black to boost the oxygen reduction reaction

(2020) J.X. Flores-Lasluisa et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

TMN4 complex embedded graphene as bifunctional electrocatalysts for high efficiency OER/ORR

(2020) Zhe Xue et al.   Journal of Energy Chemistry

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

Computational Evaluation of Electrocatalytic Nitrogen Reduction on TM Single-, Double-, and Triple-Atom Catalysts (TM = Mn, Fe, Co, Ni) Based on Graphdiyne Monolayers

(2019) Dongwei Ma et al.   Journal of Physical Chemistry C

Nitrogen-Coordinated Single Cobalt Atom Catalysts for Oxygen Reduction in Proton Exchange Membrane Fuel Cells

(2018) Xiao Xia Wang et al.   ADVANCED MATERIALS

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction

(2018) Ambarish Kulkarni et al.   CHEMICAL REVIEWS

Edge-Site Engineering of Atomically Dispersed Fe–N4 by Selective C–N Bond Cleavage for Enhanced Oxygen Reduction Reaction Activities

(2018) Rui Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single Atomic Iron Catalysts for Oxygen Reduction in Acidic Media: Particle Size Control and Thermal Activation

(2017) Hanguang Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Halogen substitutions leading to enhanced oxygen evolution and oxygen reduction reactions in metalloporphyrin frameworks

(2017) Sippakorn Wannakao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts

(2016) Peiqun Yin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Experimental Observation of Redox-Induced Fe–N Switching Behavior as a Determinant Role for Oxygen Reduction Activity

(2015) Qingying Jia et al.   ACS Nano

A review of the stability and durability of non-precious metal catalysts for the oxygen reduction reaction in proton exchange membrane fuel cells

(2015) Dustin Banham et al.   JOURNAL OF POWER SOURCES

Graphyne nanotubes as electrocatalysts for oxygen reduction reaction: the effect of doping elements on the catalytic mechanisms

(2015) Xin Chen   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Effects ofd-band shape on the surface reactivity of transition-metal alloys

(2014) Hongliang Xin et al.   PHYSICAL REVIEW B

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Finding Correlations of the Oxygen Reduction Reaction Activity of Transition Metal Catalysts with Parameters Obtained from Quantum Mechanics

(2013) Ted H. Yu et al.   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 Oxygen Reduction Reaction on Nitrogen-Doped Graphene

(2012) Felix Studt   CATALYSIS LETTERS

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

Towards the computational design of solid catalysts

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