Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry

Effect of interlayer anions on [NiFe]-LDH nanosheet water oxidation activity

(2016) B. M. Hunter et al.   Energy & Environmental Science

Benchmarking Density Functional Theory Based Methods To Model NiOOH Material Properties: Hubbard and van der Waals Corrections vs Hybrid Functionals

(2016) Jeremie Zaffran et al.   Journal of Chemical Theory and Computation

Electronic Structure of the (Undoped and Fe-Doped) NiOOH O2 Evolution Electrocatalyst

(2016) José C. Conesa   Journal of Physical Chemistry C

Oxygen Evolution Reaction Dynamics, Faradaic Charge Efficiency, and the Active Metal Redox States of Ni–Fe Oxide Water Splitting Electrocatalysts

(2016) Mikaela Görlin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Accounting for the Dynamic Oxidative Behavior of Nickel Anodes

(2016) Rodney D. L. Smith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

NiFe-Based (Oxy)hydroxide Catalysts for Oxygen Evolution Reaction in Non-Acidic Electrolytes

(2016) Fabio Dionigi et al.   Advanced Energy Materials

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

Oxygen Evolution Reaction Electrocatalysis on Transition Metal Oxides and (Oxy)hydroxides: Activity Trends and Design Principles

(2015) Michaela S. Burke et al.   CHEMISTRY OF MATERIALS

Structural and Electronic Features of β-Ni(OH)2 and β-NiOOH from First Principles

(2015) Alexander J. Tkalych et al.   Journal of Physical Chemistry C

Operando Analysis of NiFe and Fe Oxyhydroxide Electrocatalysts for Water Oxidation: Detection of Fe4+ by Mössbauer Spectroscopy

(2015) Jamie Y. C. Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting

(2015) Daniel Friebel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Inverse spinel NiFeAlO4 as a highly active oxygen evolution electrocatalyst: promotion of activity by a redox-inert metal ion

(2014) Jamie Y. C. Chen et al.   Energy & Environmental Science

A survey of diverse earth abundant oxygen evolution electrocatalysts showing enhanced activity from Ni–Fe oxides containing a third metal

(2014) James B. Gerken et al.   Energy & Environmental Science

Determination of the “NiOOH” charge and discharge mechanisms at ideal activity

(2014) Matthew Merrill et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Highly Active Mixed-Metal Nanosheet Water Oxidation Catalysts Made by Pulsed-Laser Ablation in Liquids

(2014) Bryan M. Hunter et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nickel–Iron Oxyhydroxide Oxygen-Evolution Electrocatalysts: The Role of Intentional and Incidental Iron Incorporation

(2014) Lena Trotochaud et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Self-consistent hybrid functional for condensed systems

(2014) Jonathan H. Skone et al.   PHYSICAL REVIEW B

Mechanism and Activity of Water Oxidation on Selected Surfaces of Pure and Fe-Doped NiOx

(2014) Ye-Fei Li et al.   ACS Catalysis

Water Oxidation at Electrodes Modified with Earth-Abundant Transition-Metal Catalysts

(2014) José Ramón Galán-Mascarós   ChemElectroChem

Water oxidation catalysts based on abundant 1st row transition metals

(2013) Archana Singh et al.   COORDINATION CHEMISTRY REVIEWS

An Investigation of Thin-Film Ni–Fe Oxide Catalysts for the Electrochemical Evolution of Oxygen

(2013) Mary W. Louie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Solution-Cast Metal Oxide Thin Film Electrocatalysts for Oxygen Evolution

(2012) Lena Trotochaud et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Magnetic properties of Ni(II)–Mn(III) LDHs

(2012) F. Giovannelli et al.   MATERIALS CHEMISTRY AND PHYSICS

Optical and energy-loss spectra of the antiferromagnetic transition metal oxides MnO, FeO, CoO, and NiO including quasiparticle and excitonic effects

(2012) Claudia Rödl et al.   PHYSICAL REVIEW B

Rigorous Definition of Oxidation States of Ions in Solids

(2012) Lai Jiang et al.   PHYSICAL REVIEW LETTERS

Simple, Unambiguous Theoretical Approach to Oxidation State Determination via First-Principles Calculations

(2011) Patrick H.-L. Sit et al.   INORGANIC CHEMISTRY

Accurate potential energy surfaces with a DFT+U(R) approach

(2011) Heather J. Kulik et al.   JOURNAL OF CHEMICAL PHYSICS

Dielectric, magnetic, and phonon properties of nickel hydroxide

(2011) P. Hermet et al.   PHYSICAL REVIEW B

Electronic structure and bonding properties of cobalt oxide in the spinel structure

(2011) Jia Chen et al.   PHYSICAL REVIEW B

The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis

(2010) Holger Dau et al.   ChemCatChem

Solar Water Splitting Cells

(2010) Michael G. Walter et al.   CHEMICAL REVIEWS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER