DFT Study with Inclusion of the Grimme Potential on Anatase TiO2: Structure, Electronic, and Vibrational Analyses-Reference-Cited by-同舟云学术

DFT Study with Inclusion of the Grimme Potential on Anatase TiO2: Structure, Electronic, and Vibrational Analyses

Published:2012-11-12 Issue:47 Volume:116 Page:11731-11735
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Albuquerque Anderson R.¹²,Garzim Marcos L.²,Santos Iêda M. G. dos¹,Longo Valeria³,Longo Elson³,Sambrano Julio R.²

Affiliation:

1. Laboratório de Combustíveis e Materiais, Departamento de Química, CCEN, Universidade Federal da Paraíba, Campus I, CEP 58059-900, João Pessoa, PB, Brazil

2. Grupo de Modelagem e Simulação Molecular, INCTMN-UNESP, São Paulo State University, CEP 17033-360, Bauru, SP, Brazil

3. LIEC, INCTMN-UNESP, São Paulo State University, CEP 14801-907, Araraquara, SP, Brazil

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp308318j

Reference49 articles.

1. The surface science of titanium dioxide

2. Pt-incorporated anataseTiO2(001)surface for solar cell applications: First-principles density functional theory calculations

3. Adsorption of glycine on the anatase (101) surface: an ab initio study

4. Chemistry of and on TiO2-anatase surfaces by DFT calculations: a partial review

5. Symmetry and stability of nanotubes based on titanium dioxide

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