title: Synthesis-dependent atomic surface structures of oxide nanoparticles.
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.
authors.affiliation: Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.
authors.forename: Yuyuan
authors.initials: Y
authors.lastname: Lin
authors.forename: Jianguo
authors.initials: J
authors.lastname: Wen
authors.forename: Linhua
authors.initials: L
authors.lastname: Hu
authors.forename: Robert M
authors.initials: RM
authors.lastname: Kennedy
authors.forename: Peter C
authors.initials: PC
authors.lastname: Stair
authors.forename: Kenneth R
authors.initials: KR
authors.lastname: Poeppelmeier
authors.forename: Laurence D
authors.initials: LD
authors.lastname: Marks