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 | |
| Publication status | Published - Oct 8 2013 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
Cite this
Synthesis-dependent atomic surface structures of oxide nanoparticles. / Lin, Yuyuan; Wen, Jianguo; Hu, Linhua; Kennedy, Robert M.; Stair, Peter C.; Poeppelmeier, Kenneth R.; Marks, Laurence D.
In: Physical Review Letters, Vol. 111, No. 15, 156101, 08.10.2013.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Synthesis-dependent atomic surface structures of oxide nanoparticles
AU - Lin, Yuyuan
AU - Wen, Jianguo
AU - Hu, Linhua
AU - Kennedy, Robert M.
AU - Stair, Peter C.
AU - Poeppelmeier, Kenneth R.
AU - Marks, Laurence D.
PY - 2013/10/8
Y1 - 2013/10/8
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84885661553&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84885661553&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.111.156101
DO - 10.1103/PhysRevLett.111.156101
M3 - Article
VL - 111
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 15
M1 - 156101
ER -