Surface structure of CdSe nanorods revealed by combined X-ray absorption fine structure measurements and ab initio calculations

Deborah M. Aruguete; Matthew A. Marcus; Liang Shi Li; Andrew Williamson; Sirine Fakra; Francois Gygi; Giulia A. Galli; A. Paul Alivisatos

doi:10.1021/jp065986z

Surface structure of CdSe nanorods revealed by combined X-ray absorption fine structure measurements and ab initio calculations

Deborah M. Aruguete, Matthew A. Marcus, Liang Shi Li, Andrew Williamson, Sirine Fakra, Francois Gygi, Giulia A. Galli, A. Paul Alivisatos

School of Science (Behrend)

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Abstract

We report orientation-specific, surface-sensitive structural characterization of colloidal CdSe nanorods with extended X-ray absorption fine structure spectroscopy and ab initio density functional theory calculations. Our measurements of crystallographically aligned CdSe nanorods show that they have reconstructed Cd-rich surfaces. They exhibit orientation-dependent changes in interatomic distances which are qualitatively reproduced by our calculations. These calculations reveal that the measured interatomic distance anisotropy originates from the nanorod surface.

Original language	English (US)
Pages (from-to)	75-79
Number of pages	5
Journal	Journal of Physical Chemistry C
Volume	111
Issue number	1
DOIs	https://doi.org/10.1021/jp065986z
State	Published - Jan 11 2007

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
General Energy
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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title = "Surface structure of CdSe nanorods revealed by combined X-ray absorption fine structure measurements and ab initio calculations",

abstract = "We report orientation-specific, surface-sensitive structural characterization of colloidal CdSe nanorods with extended X-ray absorption fine structure spectroscopy and ab initio density functional theory calculations. Our measurements of crystallographically aligned CdSe nanorods show that they have reconstructed Cd-rich surfaces. They exhibit orientation-dependent changes in interatomic distances which are qualitatively reproduced by our calculations. These calculations reveal that the measured interatomic distance anisotropy originates from the nanorod surface.",

author = "Aruguete, \{Deborah M.\} and Marcus, \{Matthew A.\} and Li, \{Liang Shi\} and Andrew Williamson and Sirine Fakra and Francois Gygi and Galli, \{Giulia A.\} and Alivisatos, \{A. Paul\}",

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language = "English (US)",

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AU - Aruguete, Deborah M.

AU - Marcus, Matthew A.

AU - Li, Liang Shi

AU - Williamson, Andrew

AU - Fakra, Sirine

AU - Gygi, Francois

AU - Galli, Giulia A.

AU - Alivisatos, A. Paul

PY - 2007/1/11

Y1 - 2007/1/11

N2 - We report orientation-specific, surface-sensitive structural characterization of colloidal CdSe nanorods with extended X-ray absorption fine structure spectroscopy and ab initio density functional theory calculations. Our measurements of crystallographically aligned CdSe nanorods show that they have reconstructed Cd-rich surfaces. They exhibit orientation-dependent changes in interatomic distances which are qualitatively reproduced by our calculations. These calculations reveal that the measured interatomic distance anisotropy originates from the nanorod surface.

AB - We report orientation-specific, surface-sensitive structural characterization of colloidal CdSe nanorods with extended X-ray absorption fine structure spectroscopy and ab initio density functional theory calculations. Our measurements of crystallographically aligned CdSe nanorods show that they have reconstructed Cd-rich surfaces. They exhibit orientation-dependent changes in interatomic distances which are qualitatively reproduced by our calculations. These calculations reveal that the measured interatomic distance anisotropy originates from the nanorod surface.

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JF - Journal of Physical Chemistry C

IS - 1

ER -

Surface structure of CdSe nanorods revealed by combined X-ray absorption fine structure measurements and ab initio calculations

Abstract

All Science Journal Classification (ASJC) codes

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