Hybrid atomic structure of the Schmid cluster Au55(PPh3)12Cl6 resolved by aberration-corrected STEM

Nan Jian; Christopher Stapelfeldt; Kuo-Juei Hu; Michael Fröba; Richard Palmer

doi:10.1039/C4NR06059H

Hybrid atomic structure of the Schmid cluster Au₅₅(PPh₃)₁₂Cl₆ resolved by aberration-corrected STEM

Nan Jian, Christopher Stapelfeldt, Kuo-Juei Hu, Michael Fröba, Richard Palmer

Physics and Astronomy

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

18 Citations (Scopus)

Abstract

We have investigated the atomic structure of the Au₅₅(PPh₃)₁₂Cl₆ Schmid cluster by using aberration-corrected scanning transmission electron microscopy (STEM) combined with multislice simulation of STEM images. Atom counting was employed, with size-selected clusters as mass standards, to “fractionate” the correct cluster size in the image analysis. Systematic structure analysis shows that a hybrid structure, predicted by density functional theory, best matches nearly half the clusters observed. Most other clusters are amorphous. We believe our conclusions are consistent with all the previous, apparently contradictory structural studies of the Schmid cluster.

Original language	English
Pages (from-to)	885-888
Number of pages	4
Journal	Nanoscale
Volume	7
Issue number	3
Early online date	17 Nov 2014
DOIs	https://doi.org/10.1039/C4NR06059H
Publication status	Published - 21 Jan 2015

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10.1039/C4NR06059HLicence: None: All rights reserved

https://doi.org/10.1039/C4NR06059HLicence: None: All rights reserved

Establish Career Fellowship Professor Richard Palmer - Super-Abundant Size-Selected Cluister Technology for Nanoscale Design of Functional Materials
Palmer, R.
Engineering & Physical Science Research Council
1/01/13 → 28/02/17
Project: Research

Cite this

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abstract = "We have investigated the atomic structure of the Au55(PPh3)12Cl6 Schmid cluster by using aberration-corrected scanning transmission electron microscopy (STEM) combined with multislice simulation of STEM images. Atom counting was employed, with size-selected clusters as mass standards, to “fractionate” the correct cluster size in the image analysis. Systematic structure analysis shows that a hybrid structure, predicted by density functional theory, best matches nearly half the clusters observed. Most other clusters are amorphous. We believe our conclusions are consistent with all the previous, apparently contradictory structural studies of the Schmid cluster.",

author = "Nan Jian and Christopher Stapelfeldt and Kuo-Juei Hu and Michael Fr{\"o}ba and Richard Palmer",

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AU - Jian, Nan

AU - Stapelfeldt, Christopher

AU - Hu, Kuo-Juei

AU - Fröba, Michael

AU - Palmer, Richard

PY - 2015/1/21

Y1 - 2015/1/21

N2 - We have investigated the atomic structure of the Au55(PPh3)12Cl6 Schmid cluster by using aberration-corrected scanning transmission electron microscopy (STEM) combined with multislice simulation of STEM images. Atom counting was employed, with size-selected clusters as mass standards, to “fractionate” the correct cluster size in the image analysis. Systematic structure analysis shows that a hybrid structure, predicted by density functional theory, best matches nearly half the clusters observed. Most other clusters are amorphous. We believe our conclusions are consistent with all the previous, apparently contradictory structural studies of the Schmid cluster.

AB - We have investigated the atomic structure of the Au55(PPh3)12Cl6 Schmid cluster by using aberration-corrected scanning transmission electron microscopy (STEM) combined with multislice simulation of STEM images. Atom counting was employed, with size-selected clusters as mass standards, to “fractionate” the correct cluster size in the image analysis. Systematic structure analysis shows that a hybrid structure, predicted by density functional theory, best matches nearly half the clusters observed. Most other clusters are amorphous. We believe our conclusions are consistent with all the previous, apparently contradictory structural studies of the Schmid cluster.

U2 - 10.1039/C4NR06059H

DO - 10.1039/C4NR06059H

M3 - Article

SN - 2040-3364

VL - 7

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EP - 888

JO - Nanoscale

JF - Nanoscale

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ER -

Hybrid atomic structure of the Schmid cluster Au55(PPh3)12Cl6 resolved by aberration-corrected STEM

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Establish Career Fellowship Professor Richard Palmer - Super-Abundant Size-Selected Cluister Technology for Nanoscale Design of Functional Materials

Cite this

Hybrid atomic structure of the Schmid cluster Au₅₅(PPh₃)₁₂Cl₆ resolved by aberration-corrected STEM