Artículos de revistas
Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4
Fecha
2016-09-01Registro en:
Chemical Physics Letters, v. 660, p. 87-92.
0009-2614
10.1016/j.cplett.2016.08.013
2-s2.0-84981543783
2-s2.0-84981543783.pdf
6284168579617066
Autor
Universidade Federal de São Carlos (UFSCar)
Universidade Estadual Paulista (Unesp)
University Jaume I (UJI)
Institución
Resumen
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.