Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: The case of oxygen vacancies in metal oxides-Reference-Cited by-同舟云学术

Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: The case of oxygen vacancies in metal oxides

Published:2015-10-07 Issue:13 Volume:143 Page:134702
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Gerosa Matteo¹,Bottani Carlo Enrico¹²^ORCID,Caramella Lucia³,Onida Giovanni³^ORCID,Di Valentin Cristiana⁴,Pacchioni Gianfranco⁴

Affiliation:

1. Department of Energy, Politecnico di Milano, via Ponzio 34/3, 20133 Milano, Italy

2. Center for Nano Science and Technology @Polimi, Istituto Italiano di Tecnologia, via Pascoli 70/3, 20133 Milano, Italy

3. Dipartimento di Fisica dell’Università degli Studi di Milano and European Theoretical Spectroscopy Facility (ETSF), via Celoria 16, 20133 Milano, Italy

4. Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via R. Cozzi 55, 20125 Milan, Italy

Funder

European Cooperation in Science and Technology (COST)

Ministero dell'Istruzione, dell'Università e della Ricerca (MIUR)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference94 articles.

1. Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges

2. Oxygen Vacancy: The Invisible Agent on Oxide Surfaces

3. First Principles Calculations on Oxide-Based Heterogeneous Catalysts and Photocatalysts: Problems and Advances

4. Tungsten Oxide in Catalysis and Photocatalysis: Hints from DFT

5. Resistive switching in transition metal oxides

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