Metal-Oxygen Bond Ionicity as an Efficient Descriptor for Doped NiOOH Photocatalytic Activity

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

(2015) Andrew J. Medford et al.   JOURNAL OF CATALYSIS

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

Trade-Off between Accuracy and Universality in Linear Energy Relations for Alcohol Dehydrogenation on Transition Metals

(2015) Jérémie Zaffran et al.   Journal of Physical Chemistry C

Effects of Fe Electrolyte Impurities on Ni(OH)2/NiOOH Structure and Oxygen Evolution Activity

(2015) Shannon Klaus et al.   Journal of Physical Chemistry C

The relationship between structural stability and electrochemical performance of multi-element doped alpha nickel hydroxide

(2015) Chengcheng Miao et al.   JOURNAL OF POWER SOURCES

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

A density functional study of structural, electronic and optical properties of titanium dioxide: Characterization of rutile, anatase and brookite polymorphs

(2015) Mazmira Mohamad et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

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

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

What Can Density Functional Theory Tell Us about Artificial Catalytic Water Splitting?

(2014) Michael G. Mavros et al.   INORGANIC CHEMISTRY

Mosaic Texture and Double c-Axis Periodicity of β-NiOOH: Insights from First-Principles and Genetic Algorithm Calculations

(2014) Ye-Fei Li et al.   Journal of Physical Chemistry Letters

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

(2014) Minrui Gao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Developments and perspectives of oxide-based catalysts for the oxygen evolution reaction

(2014) E. Fabbri et al.   Catalysis Science & Technology

Improved reversibility in lithium-oxygen battery: Understanding elementary reactions and surface charge engineering of metal alloy catalyst

(2014) Byung Gon Kim et al.   Scientific Reports

Probing the Redox States at the Surface of Electroactive Nanoporous NiO Thin Films

(2013) Andrea G. Marrani et al.   ACS Applied Materials & Interfaces

Significant Reduction in NiO Band Gap Upon Formation of LixNi1−xO alloys: Applications To Solar Energy Conversion

(2013) Nima Alidoust et al.   ChemSusChem

Adsorption Behavior of Noble Metal Clusters and Their Alloys

(2013) Stanley Herrmann et al.   Journal of Computational and Theoretical Nanoscience

First Principles Study of Cobalt (Hydr)oxides under Electrochemical Conditions

(2013) Jia Chen et al.   Journal of Physical Chemistry C

An Optocatalytic Model for Semiconductor–Catalyst Water-Splitting Photoelectrodes Based on In Situ Optical Measurements on Operational Catalysts

(2013) Lena Trotochaud et al.   Journal of Physical Chemistry Letters

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

Adaptive semiconductor/electrocatalyst junctions in water-splitting photoanodes

(2013) Fuding Lin et al.   NATURE MATERIALS

Precise oxygen evolution catalysts: Status and opportunities

(2013) Lena Trotochaud et al.   SCRIPTA MATERIALIA

Electronic Structure Effects in Transition Metal Surface Chemistry

(2013) A. Vojvodic et al.   TOPICS IN CATALYSIS

Preparation and electrochemical performance of nano-scale Ni(OH)2 doped with zinc

(2013) Li ZHAO et al.   TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA

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

(2013) Alexis Grimaud et al.   Nature Communications

Linear Energy Relations As Predictive Tools for Polyalcohol Catalytic Reactivity

(2013) Jérémie Zaffran et al.   ACS Catalysis

Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis

(2012) Peilin Liao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure and electrochemical properties of nanometer Cu substituted α-nickel hydroxide

(2012) Jie Bao et al.   MATERIALS RESEARCH BULLETIN

On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides

(2011) A. Vojvodic et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2011) J. Suntivich et al.   SCIENCE

Solar Water Splitting Cells

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

Atomic structure and lattice dynamics of Ni and Mg hydroxides

(2010) V.Yu. Kazimirov et al.   SOLID STATE IONICS

Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis

(2009) Rutger A. van Santen et al.   CHEMICAL REVIEWS

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Controllable Synthesis of Zinc-Substituted α- and β-Nickel Hydroxide Nanostructures and Their Collective Intrinsic Properties

(2008) Bo Hu et al.   CHEMISTRY-A EUROPEAN JOURNAL