Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4

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Author(s):	Gouveia, Amanda F. ; Ferrer, Mateus M. ; Sambrano, Julio R. ; Andres, Juan ; Longo, Elson Total Authors: 5
Document type:	Journal article
Source:	Chemical Physics Letters; v. 660, p. 87-92, SEP 1 2016.
Web of Science Citations:	14
Abstract
In this communication, a systematic study of the surface structure, including energy management during morphological transformations of tetragonal phase of LaVO4, has been carried out. For this study, we combined experimental findings and first-principles calculations to develop a Wulff construction model. Our findings can help further understand the synthetic control of crystal shape via tuning of surface chemistry. (C) 2016 Elsevier B.V. All rights reserved. (AU)

FAPESP's process:	13/26671-9 - Theoretical and experimental study of multifunctional semiconductors
Grantee:	Amanda Fernandes Gouveia
Support type:	Scholarships in Brazil - Doctorate


FAPESP's process:	13/07296-2 - CDMF - Center for the Development of Functional Materials
Grantee:	Elson Longo da Silva
Support type:	Research Grants - Research, Innovation and Dissemination Centers - RIDC