Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory

Y Ping, D Rocca, G Galli - Chemical Society Reviews, 2013 - pubs.rsc.org
We describe state of the art methods for the calculation of electronic excitations in solids and
molecules, based on many body perturbation theory, and we discuss some applications of …

Recent progress in chromogenic research of tungsten oxides towards energy-related applications

K Thummavichai, Y Xia, Y Zhu - Progress in Materials Science, 2017 - Elsevier
This paper summarises the recent research on the chromogenic performance of a unique
class of nanomaterials, tungsten oxide (WO x), and highlights their potential applications in …

Electroceramic materials

N Setter, R Waser - Acta materialia, 2000 - Elsevier
Electroceramics research is driven by technology and device applications. This growing field
includes a vast number of magnetic, dielectric, ionically conducting, semiconducting, and …

The Oxygen Vacancy in Crystal Phases of WO3

R Chatten, AV Chadwick, A Rougier… - The Journal of Physical …, 2005 - ACS Publications
The oxygen vacancy in WO3 has previously been implicated in the electrochromism
mechanism in this material. Previous theoretical calculations on the oxygen vacancy in WO3 …

Theory of PbTiO3, BaTiO3, and SrTiO3 surfaces

B Meyer, J Padilla, D Vanderbilt - Faraday Discussions, 1999 - pubs.rsc.org
First-principles total-energy calculations are carried out for (001) surfaces of the cubic
perovskite ATiO3 compounds PbTiO3, BaTiO3, and SrTiO3. Both AO-terminated and TiO2 …

Anomalous behavior of the semiconducting gap in from first-principles calculations

GA De Wijs, PK De Boer, RA De Groot, G Kresse - Physical Review B, 1999 - APS
Several crystal structures of tungsten trioxide have been studied with a first-principles
pseudopotential method. The electronic band gap increases significantly with the distortion …

Catalytic hydrodeoxygenation of anisole over re-MoOx/TiO2 and re-VOx/TiO2 catalysts

IT Ghampson, G Pecchi, JLG Fierro, A Videla… - Applied Catalysis B …, 2017 - Elsevier
The hydrodeoxygenation of anisole at 300° C and 3 MPa H 2 in a batch reactor is used as a
model reaction to explore the performance of TiO 2-supported Re-MoO x and Re-VO x …

Hexagonal tungsten oxide based electrochromic devices: spectroscopic evidence for the Li ion occupancy of four-coordinated square windows

S Balaji, Y Djaoued, AS Albert, RZ Ferguson… - Chemistry of …, 2009 - ACS Publications
Macroporous hexagonal WO3 (h-WO3) films were obtained at 400° C from a sol containing
tungstic acid with organically modified silane as a template. Asymmetric electrochromic …

Photocatalytic activities of AgSbO3 under visible light irradiation

T Kako, N Kikugawa, J Ye - Catalysis Today, 2008 - Elsevier
A novel visible light sensitive photocatalyst, AgSbO3 was prepared by a conventional solid-
state reaction method. This oxide belonging to a cubic-pyrochlore structure can absorb …

Anisotropic Effects of Oxygen Vacancies on Electrochromic Properties and Conductivity of γ-Monoclinic WO3

M Gerosa, C Di Valentin, G Onida… - The Journal of …, 2016 - ACS Publications
Tungsten trioxide (WO3) is a paradigmatic electrochromic material, whose peculiar optical
properties in the presence of oxygen vacancies or intercalated alkali atoms have been …