When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1–6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations-Reference-Cited by-同舟云学术

When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1–6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations

Published:2017-03-10 Issue:4 Volume:13 Page:1785-1793
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Lamiel-Garcia Oriol¹,Ko Kyoung Chul¹²,Lee Jin Yong²^ORCID,Bromley Stefan T.¹³,Illas Francesc¹^ORCID

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, 08028 Barcelona, Spain

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

3. Institució Catalana de Recerca i Estudis Avançats (ICREA), 08010 Barcelona, Spain

Funder

European Regional Development Fund

Ministerio de Econom?a y Competitividad

National Research Foundation of Korea

Horizon 2020 Framework Programme

Generalitat de Catalunya

Ministry of Science, ICT and Future Planning

Universitat de Barcelona

Instituci? Catalana de Recerca i Estudis Avan?ats

Publisher