Computational exploration of borophane-supported single transition metal atoms as potential oxygen reduction and evolution electrocatalysts

Charge-transfer-energy-dependent oxygen evolution reaction mechanisms for perovskite oxides

(2017) Wesley T. Hong et al.   Energy & Environmental Science

Computational screening of two-dimensional coordination polymers as efficient catalysts for oxygen evolution and reduction reaction

(2017) Guoping Gao et al.   JOURNAL OF CATALYSIS

Redox Processes of Manganese Oxide in Catalyzing Oxygen Evolution and Reduction: An in Situ Soft X-ray Absorption Spectroscopy Study

(2017) Marcel Risch et al.   Journal of Physical Chemistry C

Thermodynamic assessment of the oxygen reduction activity in aqueous solutions

(2017) Vladimir Tripkovic   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Surface reactivity and vacancy defects in single-layer borophene polymorphs

(2017) Vadym V. Kulish   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

How covalence breaks adsorption-energy scaling relations and solvation restores them

(2017) Federico Calle-Vallejo et al.   Chemical Science

New crystal structure prediction of fully hydrogenated borophene by first principles calculations

(2017) Zhiqiang Wang et al.   Scientific Reports

The Planar CoB18 − Cluster as a Motif for Metallo-Borophenes

(2016) Wan-Lu Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Graphene and its electrochemistry – an update

(2016) Adriano Ambrosi et al.   CHEMICAL SOCIETY REVIEWS

Towards high-efficiency nanoelectrocatalysts for oxygen reduction through engineering advanced carbon nanomaterials

(2016) Ming Zhou et al.   CHEMICAL SOCIETY REVIEWS

Synthesis of hollow carbon nanostructures as a non-precious catalyst for oxygen reduction reaction

(2016) Seul Lee et al.   ELECTROCHIMICA ACTA

The application of graphene and its composites in oxygen reduction electrocatalysis: a perspective and review of recent progress

(2016) Drew Higgins et al.   Energy & Environmental Science

Electrochemical and Computational Study of Oxygen Reduction Reaction on Nonprecious Transition Metal/Nitrogen Doped Carbon Nanofibers in Acid Medium

(2016) Kexi Liu et al.   Journal of Physical Chemistry C

Oxygen-reduction reaction strongly electrocatalyzed by Pt electrodeposited onto graphene or graphene nanoribbons

(2016) Guilherme V. Fortunato et al.   JOURNAL OF POWER SOURCES

A New Family of Perovskite Catalysts for Oxygen-Evolution Reaction in Alkaline Media: BaNiO3 and BaNi0.83O2.5

(2016) Jin Goo Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanical properties of borophene films: a reactive molecular dynamics investigation

(2016) Minh Quy Le et al.   NANOTECHNOLOGY

Experimental realization of two-dimensional boron sheets

(2016) Baojie Feng et al.   Nature Chemistry

Catalysis with two-dimensional materials and their heterostructures

(2016) Dehui Deng et al.   Nature Nanotechnology

Hydrogenated borophene as a stable two-dimensional Dirac material with an ultrahigh Fermi velocity

(2016) Li-Chun Xu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study of thermal properties of borophene

(2016) Hongyi Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction

(2016) Mufan Li et al.   SCIENCE

Nickel–vanadium monolayer double hydroxide for efficient electrochemical water oxidation

(2016) Ke Fan et al.   Nature Communications

The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

(2016) Bo Peng et al.   Journal of Materials Chemistry C

Electronic and optical properties of pristine and oxidized borophene

(2016) Aurélien Lherbier et al.   2D Materials

Carbon-Supported Pt-Based Alloy Electrocatalysts for the Oxygen Reduction Reaction in Polymer Electrolyte Membrane Fuel Cells: Particle Size, Shape, and Composition Manipulation and Their Impact to Activity

(2015) Yan-Jie Wang et al.   CHEMICAL REVIEWS

A concise guide to sustainable PEMFCs: recent advances in improving both oxygen reduction catalysts and proton exchange membranes

(2015) Megan E. Scofield et al.   CHEMICAL SOCIETY REVIEWS

Recent advancements in Pt and Pt-free catalysts for oxygen reduction reaction

(2015) Yao Nie et al.   CHEMICAL SOCIETY REVIEWS

Fe (Oxy)hydroxide Oxygen Evolution Reaction Electrocatalysis: Intrinsic Activity and the Roles of Electrical Conductivity, Substrate, and Dissolution

(2015) Shihui Zou et al.   CHEMISTRY OF MATERIALS

Cobalt–Iron (Oxy)hydroxide Oxygen Evolution Electrocatalysts: The Role of Structure and Composition on Activity, Stability, and Mechanism

(2015) Michaela S. Burke et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrothermal Continuous Flow Synthesis and Exfoliation of NiCo Layered Double Hydroxide Nanosheets for Enhanced Oxygen Evolution Catalysis

(2015) Hanfeng Liang et al.   NANO LETTERS

Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteries

(2015) Eunjeong Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

(2015) A. J. Mannix et al.   SCIENCE

Platinum-based nanocages with subnanometer-thick walls and well-defined, controllable facets

(2015) L. Zhang et al.   SCIENCE

Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors

(2015) F. Calle-Vallejo et al.   SCIENCE

Oxygen evolution on well-characterized mass-selected Ru and RuO2 nanoparticles

(2015) Elisa A. Paoli et al.   Chemical Science

Heteroatom-Doped Graphene-Based Materials for Energy-Relevant Electrocatalytic Processes

(2015) Jingjing Duan et al.   ACS Catalysis

Heteroatom-Doped Graphitic Carbon Catalysts for Efficient Electrocatalysis of Oxygen Reduction Reaction

(2015) Jintao Zhang et al.   ACS Catalysis

Layered transition metal oxyhydroxides as tri-functional electrocatalysts

(2015) Chee Shan Lim et al.   Journal of Materials Chemistry A

N-doped graphene as catalysts for oxygen reduction and oxygen evolution reactions: Theoretical considerations

(2014) Mingtao Li et al.   JOURNAL OF CATALYSIS

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Long-Range Electron Transfer over Graphene-Based Catalyst for High-Performing Oxygen Reduction Reactions: Importance of Size, N-doping, and Metallic Impurities

(2014) Chang Hyuck Choi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pt-based nanoarchitecture and catalyst design for fuel cell applications

(2014) Namgee Jung et al.   Nano Today

Iridium As Catalyst and Cocatalyst for Oxygen Evolution/Reduction in Acidic Polymer Electrolyte Membrane Electrolyzers and Fuel Cells

(2014) Ermete Antolini   ACS Catalysis

Oxygen Electrochemistry as a Cornerstone for Sustainable Energy Conversion

(2013) Ioannis Katsounaros et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An Advanced Ni–Fe Layered Double Hydroxide Electrocatalyst for Water Oxidation

(2013) Ming Gong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Double perovskites as a family of highly active catalysts for oxygen evolution in alkaline solution

(2013) Alexis Grimaud et al.   Nature Communications

Functionalization of Graphene for Efficient Energy Conversion and Storage

(2012) Liming Dai   ACCOUNTS OF CHEMICAL RESEARCH

Metal–air batteries: from oxygen reduction electrochemistry to cathode catalysts

(2012) Fangyi Cheng et al.   CHEMICAL SOCIETY REVIEWS

Oxygen electrocatalysts for water electrolyzers and reversible fuel cells: status and perspective

(2012) Sehkyu Park et al.   Energy & Environmental Science

Graphyne As a Promising Metal-Free Electrocatalyst for Oxygen Reduction Reactions in Acidic Fuel Cells: A DFT Study

(2012) Ping Wu et al.   Journal of Physical Chemistry C

Carbon Nanomaterials for Advanced Energy Conversion and Storage

(2012) Liming Dai et al.   Small

Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins

(2012) F. Calle-Vallejo et al.   SURFACE SCIENCE

Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces

(2012) Venkatasubramanian Viswanathan et al.   ACS Catalysis

Boron-Doped Carbon Nanotubes as Metal-Free Electrocatalysts for the Oxygen Reduction Reaction

(2011) Lijun Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

Low-platinum and platinum-free catalysts for the oxygen reduction reaction at fuel cell cathodes

(2011) Adina Morozan et al.   Energy & Environmental Science

Stabilization of Electrocatalytic Metal Nanoparticles at Metal−Metal Oxide−Graphene Triple Junction Points

(2011) Rong Kou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2011) Heejin Kim et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions

(2011) Federico Calle-Vallejo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

(2011) J. Suntivich et al.   SCIENCE

Combinatorial Screening of Highly Active Pd Binary Catalysts for Electrochemical Oxygen Reduction

(2011) Ki Rak Lee et al.   ACS Combinatorial Science

Platinum and Non-Platinum Nanomaterials for the Molecular Oxygen Reduction Reaction

(2010) Nicolas Alonso-Vante   CHEMPHYSCHEM

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

Recent advances in non-precious metal catalysis for oxygen-reduction reaction in polymer electrolyte fuelcells

(2010) Frédéric Jaouen et al.   Energy & Environmental Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Bifunctional Nonprecious Metal Catalyst for Oxygen Reduction and Water Oxidation

(2010) Yelena Gorlin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Migration and Localization of Metal Atoms on Strained Graphene

(2010) Ovidiu Cretu et al.   PHYSICAL REVIEW LETTERS

Just a Dream—or Future Reality?

(2009) Hubert A. Gasteiger et al.   SCIENCE

Surface Pourbaix diagrams and oxygen reduction activity of Pt, Ag and Ni(111) surfaces studied by DFT

(2008) Heine A. Hansen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High Rates of Oxygen Reduction over a Vapor Phase-Polymerized PEDOT Electrode

(2008) B. Winther-Jensen et al.   SCIENCE