First-principles investigations into the effect of oxygen vacancies on the enhanced reactivity of NiO via Bader charge and density of states analysis

Vacancy defects induced changes in the electronic and optical properties of NiO studied by spectroscopic ellipsometry and first-principles calculations

(2020) Kingsley O. Egbo et al.   JOURNAL OF APPLIED PHYSICS

Insights into Syngas Combustion on a Defective NiO Surface for Chemical Looping Combustion: Oxygen Migration and Vacancy Effects

(2020) Yue Yuan et al.   Journal of Physical Chemistry C

Processing and characterization of Fe-based oxygen carriers for chemical looping for hydrogen production

(2018) Yoran De Vos et al.   International Journal of Greenhouse Gas Control

An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces

(2018) Colin F. Dickens et al.   SURFACE SCIENCE

A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides

(2017) Christopher Linderälv et al.   Journal of Physical Chemistry Letters

Energy and fuels from electrochemical interfaces

(2017) Vojislav R. Stamenkovic et al.   NATURE MATERIALS

Bonding to Hydrogen

(2017) Roald Hoffmann   AMERICAN SCIENTIST

Energetics of intrinsic defects in NiO and the consequences for its resistive random access memory performance

(2015) J. A. Dawson et al.   APPLIED PHYSICS LETTERS

First-principles calculations for point defects in solids

(2014) Christoph Freysoldt et al.   REVIEWS OF MODERN PHYSICS

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Molecular Perspective on the d-Band Model: Synergy Between Experiment and Theory

(2013) Lars Gunnar Moody Pettersson et al.   TOPICS IN CATALYSIS

Chemical looping processes for CO2 capture and carbonaceous fuel conversion – prospect and opportunity

(2012) Liang-Shih Fan et al.   Energy & Environmental Science

On the HSAB based estimate of charge transfer between adsorbates and metal surfaces

(2011) Anton Kokalj   CHEMICAL PHYSICS

Role of metal oxide support in redox reactions of iron oxide for chemical looping applications: experiments and density functional theory calculations

(2011) Fanxing Li et al.   Energy & Environmental Science

Hydrogen electrocatalysis on overlayers of rhodium over gold and palladium substrates—more active than platinum?

(2011) G. Soldano et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stability and magnetism of vacancy in NiO: A GGA+U study

(2008) W. -B. Zhang et al.   EUROPEAN PHYSICAL JOURNAL B

Interaction and ordering of vacancy defects in NiO

(2008) Sohee Park et al.   PHYSICAL REVIEW B