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

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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 languageEnglish
Article number156101
JournalPhysical review letters
Volume111
Issue number15
DOIs
Publication statusPublished - Oct 8 2013

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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