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

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2016-09-01

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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.

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Morphology, Surface energy, t-LaVO4, Wulff construction

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Chemical Physics Letters, v. 660, p. 87-92.

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