Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides-Reference-Cited by-同舟云学术

Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides

Published:2017-02-04 Issue:11 Volume:38 Page:781-789
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Viñes Francesc¹,Lamiel-García Oriol¹,Chul Ko Kyoung¹²^ORCID,Yong Lee Jin²,Illas Francesc¹

Affiliation:

1. Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB); Universitat de Barcelona; c/Martí i Franquès 1 Barcelona 08028 Spain

2. Department of Chemistry; Sungkyunkwan University; Suwon 16419 Korea

Funder

Institució Catalana de Recerca i Estudis Avançats

Barcelona Supercomputing Center

Ministry of Science, ICT and Future Planning

Generalitat de Catalunya

Partnership for Advanced Computing in Europe AISBL

National Research Foundation of Korea

Ministerio de Economía y Competitividad

Horizon 2020

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

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1. Possible highT c superconductivity in the Ba?La?Cu?O system

2. Metal-insulator transitions

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4. Nanocatalysts for Solar Water Splitting and a Perspective on Hydrogen Economy

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