Analysis and simulation of the structure of nanoparticles that undergo a surface-driven structural transformation

Benjamin Gilbert; Hengzhong Zhang; Feng Huang; Jillian F. Banfield; Yang Ren; Daniel Haskel; J. C. Lang; George Srajer; Astrid Jürgensen; Glenn A. Waychunas

doi:10.1063/1.1752890

Analysis and simulation of the structure of nanoparticles that undergo a surface-driven structural transformation

Benjamin Gilbert, Hengzhong Zhang, Feng Huang, Jillian F. Banfield, Yang Ren, Daniel Haskel, J. C. Lang, George Srajer, Astrid Jürgensen, Glenn A. Waychunas

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

39 Citations (Scopus)

Abstract

The structure of nanoparticles that undergo a surface-driven structural transformation was analyzed. The room temperature transformation was found to take place in 3 nm ZnS nanoparticles in methanol following the addition of water. A large increase in the crystallinity associated with water addition was observed using experimental wide angle x-ray scattering (WAXS), x-ray absorption near edge structure (XANES), and extended x-ray absorption fine structure (EXAFS) spectroscopy measurements. The structural disorder was indicated to be partitioned between interior and surface regions more strongly than predicted by molecular dynamics simulation.

Original language	English
Pages (from-to)	11785-11795
Number of pages	11
Journal	The Journal of Chemical Physics
Volume	120
Issue number	24
DOIs	https://doi.org/10.1063/1.1752890
Publication status	Published - 22 Jun 2004
Externally published	Yes

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title = "Analysis and simulation of the structure of nanoparticles that undergo a surface-driven structural transformation",

abstract = "The structure of nanoparticles that undergo a surface-driven structural transformation was analyzed. The room temperature transformation was found to take place in 3 nm ZnS nanoparticles in methanol following the addition of water. A large increase in the crystallinity associated with water addition was observed using experimental wide angle x-ray scattering (WAXS), x-ray absorption near edge structure (XANES), and extended x-ray absorption fine structure (EXAFS) spectroscopy measurements. The structural disorder was indicated to be partitioned between interior and surface regions more strongly than predicted by molecular dynamics simulation.",

author = "Benjamin Gilbert and Hengzhong Zhang and Feng Huang and Banfield, {Jillian F.} and Yang Ren and Daniel Haskel and Lang, {J. C.} and George Srajer and Astrid J{\"u}rgensen and Waychunas, {Glenn A.}",

year = "2004",

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doi = "10.1063/1.1752890",

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T1 - Analysis and simulation of the structure of nanoparticles that undergo a surface-driven structural transformation

AU - Gilbert, Benjamin

AU - Zhang, Hengzhong

AU - Huang, Feng

AU - Banfield, Jillian F.

AU - Ren, Yang

AU - Haskel, Daniel

AU - Lang, J. C.

AU - Srajer, George

AU - Jürgensen, Astrid

AU - Waychunas, Glenn A.

PY - 2004/6/22

Y1 - 2004/6/22

N2 - The structure of nanoparticles that undergo a surface-driven structural transformation was analyzed. The room temperature transformation was found to take place in 3 nm ZnS nanoparticles in methanol following the addition of water. A large increase in the crystallinity associated with water addition was observed using experimental wide angle x-ray scattering (WAXS), x-ray absorption near edge structure (XANES), and extended x-ray absorption fine structure (EXAFS) spectroscopy measurements. The structural disorder was indicated to be partitioned between interior and surface regions more strongly than predicted by molecular dynamics simulation.

AB - The structure of nanoparticles that undergo a surface-driven structural transformation was analyzed. The room temperature transformation was found to take place in 3 nm ZnS nanoparticles in methanol following the addition of water. A large increase in the crystallinity associated with water addition was observed using experimental wide angle x-ray scattering (WAXS), x-ray absorption near edge structure (XANES), and extended x-ray absorption fine structure (EXAFS) spectroscopy measurements. The structural disorder was indicated to be partitioned between interior and surface regions more strongly than predicted by molecular dynamics simulation.

UR - http://www.scopus.com/inward/record.url?scp=3142667047&partnerID=8YFLogxK

U2 - 10.1063/1.1752890

DO - 10.1063/1.1752890

M3 - Article

AN - SCOPUS:3142667047

SN - 0021-9606

VL - 120

SP - 11785

EP - 11795

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 24

ER -

Analysis and simulation of the structure of nanoparticles that undergo a surface-driven structural transformation

Abstract

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