Surface configuration and wettability of nickel(oxy)hydroxides: a first-principles investigation

Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands

(2017) J. Fester et al.   Nature Communications

Stabilization of ultrathin (hydroxy)oxide films on transition metal substrates for electrochemical energy conversion

(2017) Zhenhua Zeng et al.   Nature Energy

Insight into the Role of Surface Wettability in Electrocatalytic Hydrogen Evolution Reactions Using Light-Sensitive Nanotubular TiO2 Supported Pt Electrodes

(2017) Chenhui Meng et al.   Scientific Reports

The structure of water at a Pt(111) electrode and the potential of zero charge studied from first principles

(2016) Sung Sakong et al.   JOURNAL OF CHEMICAL PHYSICS

From single molecules to water networks: Dynamics of water adsorption on Pt(111)

(2016) Maryam Naderian et al.   JOURNAL OF CHEMICAL PHYSICS

Non-monotonic Surface Charging Behavior of Platinum: A Paradigm Change

(2016) Jun Huang et al.   Journal of Physical Chemistry C

Mechanism of Oxygen Reduction Reaction on Pt(111) in Alkaline Solution: Importance of Chemisorbed Water on Surface

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

Engineering Band Edge Positions of Nickel Oxyhydroxide through Facet Selection

(2016) Vicky Fidelsky et al.   Journal of Physical Chemistry C

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

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

Enhanced Water Oxidation Catalysis of Nickel Oxyhydroxide through the Addition of Vacancies

(2016) Vicky Fidelsky et al.   Journal of Physical Chemistry C

Water adsorption on bimetallic PtRu/Pt(111) surface alloys

(2016) Julia M. Fischer et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

The importance of nickel oxyhydroxide deprotonation on its activity towards electrochemical water oxidation

(2016) Oscar Diaz-Morales et al.   Chemical Science

Nickel–vanadium monolayer double hydroxide for efficient electrochemical water oxidation

(2016) Ke Fan et al.   Nature Communications

First-principles study of the structure of water layers on flat and stepped Pb electrodes

(2016) Xiaohang Lin et al.   Beilstein Journal of Nanotechnology

How theory and simulation can drive fuel cell electrocatalysis

(2016) Mohammad J. Eslamibidgoli et al.   Nano Energy

Iron-Doped Nickel Oxide Nanocrystals as Highly Efficient Electrocatalysts for Alkaline Water Splitting

(2015) Ksenia Fominykh et al.   ACS Nano

Towards First Principles-Based Prediction of Highly Accurate Electrochemical Pourbaix Diagrams

(2015) Zhenhua Zeng et al.   Journal of Physical Chemistry C

Reactivity of Perovskites with Water: Role of Hydroxylation in Wetting and Implications for Oxygen Electrocatalysis

(2015) Kelsey A. Stoerzinger et al.   Journal of Physical Chemistry C

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

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

Electrochemical Formation of Reactive Oxygen Species at Pt (111)—A Density Functional Theory Study

(2015) Mohammad J. Eslamibidgoli et al.   ACS Catalysis

Guidelines for the Rational Design of Ni-Based Double Hydroxide Electrocatalysts for the Oxygen Evolution Reaction

(2015) Oscar Diaz-Morales et al.   ACS Catalysis

Efficient Water Oxidation Using Nanostructured α-Nickel-Hydroxide as an Electrocatalyst

(2014) Minrui Gao 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

Water Structures at Metal Electrodes Studied by Ab Initio Molecular Dynamics Simulations

(2014) Axel Groß et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A short-range ordered–disordered transition of a NiOOH/Ni(OH)2 pair induces switchable wettability

(2014) Ya-Huei Chang et al.   Nanoscale

Nickel hydroxides and related materials: a review of their structures, synthesis and properties

(2014) D. S. Hall et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

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

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

Electrochemical Growth of Surface Oxides on Nickel. Part 3: Formation of β-NiOOH in Relation to the Polarization Potential, Polarization Time, and Temperature

(2014) Mohammad Alsabet et al.   Electrocatalysis

A comprehensive review on PEM water electrolysis

(2013) Marcelo Carmo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A review on production, storage of hydrogen and its utilization as an energy resource

(2013) Suman Dutta   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Electrochemical Growth of Surface Oxides on Nickel. Part 2: Formation of β-Ni(OH)2 and NiO in Relation to the Polarization Potential, Polarization Time, and Temperature

(2013) Mohammad Alsabet et al.   Electrocatalysis

Structure of water layers on hydrogen-covered Pt electrodes

(2012) Tanglaw Roman et al.   CATALYSIS TODAY

Catalysts made of earth-abundant elements (Co, Ni, Fe) for water splitting: Recent progress and future challenges

(2012) Pingwu Du et al.   Energy & Environmental Science

Dispersive interactions in water bilayers at metallic surfaces: A comparison of the PBE and RPBE functional including semiempirical dispersion corrections

(2012) Katrin Tonigold et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Solution-Cast Metal Oxide Thin Film Electrocatalysts for Oxygen Evolution

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

Evidence for near-Surface NiOOH Species in Solution-Processed NiOxSelective Interlayer Materials: Impact on Energetics and the Performance of Polymer Bulk Heterojunction Photovoltaics

(2011) Erin L. Ratcliff et al.   CHEMISTRY OF MATERIALS

First-principles study of the water structure on flat and stepped gold surfaces

(2011) Xiaohang Lin et al.   SURFACE SCIENCE

Electrochemical Growth of Surface Oxides on Nickel. Part 1: Formation of α-Ni(OH)2 in Relation to the Polarization Potential, Polarization Time, and Temperature

(2011) Mohammad Alsabet et al.   Electrocatalysis

The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations

(2010) Vladimir Tripković et al.   ELECTROCHIMICA ACTA

Formic Acid Oxidation at Pt/H2O Interface from Periodic DFT Calculations Integrated with a Continuum Solvation Model

(2009) Hui-Fang Wang et al.   Journal of Physical Chemistry C

Properties of metal–water interfaces studied from first principles

(2009) Sebastian Schnur et al.   NEW JOURNAL OF PHYSICS

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE