Synthesis-dependent atomic surface structures of oxide nanoparticles

Yuyuan Lin; Jianguo Wen; Linhua Hu; Robert M. Kennedy; Peter C. Stair; Kenneth R. Poeppelmeier; Laurence D. Marks

doi:10.1103/PhysRevLett.111.156101

Synthesis-dependent atomic surface structures of oxide nanoparticles

Yuyuan Lin, Jianguo Wen, Linhua Hu, Robert M. Kennedy, Peter C. Stair, Kenneth R. Poeppelmeier, Laurence D. Marks

Northwestern University

Research output: Contribution to journal › Article

44 Citations (Scopus)

Abstract

Using SrTiO₃ nanocuboids as a model system, we show with aberration-corrected high resolution electron microscopy at sub-Å resolution that surface relaxations or reconstructions are present on the nanocuboids, depending on the synthetic process. Oleic acid synthesis, acetic acid synthesis, and microwave-assisted acetic acid synthesis result in a SrO termination, TiO₂-rich reconstruction, and mixed termination, respectively. The experimental atomic positions are in better agreement with density functional theory calculations using an exact-exchange corrected PBEsol functional than the Perdew-Burke-Ernzerhof (PBE) functional.

Original language	English
Article number	156101
Journal	Physical review letters
Volume	111
Issue number	15
DOIs	https://doi.org/10.1103/PhysRevLett.111.156101
Publication status	Published - Oct 8 2013

ASJC Scopus subject areas

Physics and Astronomy(all)

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Lin, Y., Wen, J., Hu, L., Kennedy, R. M., Stair, P. C., Poeppelmeier, K. R., & Marks, L. D. (2013). Synthesis-dependent atomic surface structures of oxide nanoparticles. Physical review letters, 111(15), [156101]. https://doi.org/10.1103/PhysRevLett.111.156101

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AU - Marks, Laurence D.

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