Assessment of van der Waals inclusive density functional theory methods for layered electroactive materials-Reference-Cited by-同舟云学术

Assessment of van der Waals inclusive density functional theory methods for layered electroactive materials

Published:2017 Issue:15 Volume:19 Page:10133-10139
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lozano Ariel¹²³⁴⁵^ORCID,Escribano Bruno¹²³^ORCID,Akhmatskaya Elena¹²³⁶⁷^ORCID,Carrasco Javier⁴⁵³^ORCID

Affiliation:

1. Basque Center for Applied Mathematics

2. (48009) Bilbao

3. Spain

4. CIC Energigune

5. Álava

6. IKERBASQUE

7. Basque Foundation for Science

Abstract

This work provides solid guidance for the selection of accurate and robust vdW-inclusive methods for high-throughput computational screening of layered electroactive materials.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP00284J

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