Structure transition of Au18 from pyramidal to a hollow-cage during soft-landing onto a TiO2(110) surface

Lei Li; Hui Li; Xiao Cheng Zeng

doi:10.1039/c5cc01316j

Structure transition of Au₁₈ from pyramidal to a hollow-cage during soft-landing onto a TiO₂(110) surface

Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review

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4 Scopus Citations

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Author(s)

Lei Li
Hui Li
Xiao Cheng Zeng

Detail(s)

Original language	English
Pages (from-to)	9535-9538
Journal / Publication	Chemical Communications
Volume	51
Issue number	46
Publication status	Published - 11 Jun 2015
Externally published	Yes

Link(s)

DOI	DOI https://doi.org/10.1039/c5cc01316j Final Published version
	Check@CityULib
Attachment(s)	Documents 109386709.pdf Final Published version, 2.07 MB, PDF Publisher's Copyright Statement This full text is made available under CC-BY-NC 3.0. https://creativecommons.org/licenses/by-nc/3.0/
Link to Scopus	https://www.scopus.com/record/display.uri?eid=2-s2.0-84930226636&origin=recordpage
Permanent Link	https://scholars.cityu.edu.hk/en/publications/publication(ff2716d3-7bd3-4c3f-9aea-dca354c63de1).html

Abstract

Au₁₈ is a unique gold cluster in that, in the gas phase, two distinct isomers, namely, golden hollow-cage and golden pyramid, can coexist (ACS Nano, 2009, 3, 1225). We perform a Born-Oppenheimer molecular dynamics (BOMD) simulation to confirm the structural stability of the two isomers at ambient temperature. Most importantly, we study the possible structure conversion between the two isomers when they are soft-landed onto a rutile TiO₂(110) surface. Our BOMD simulation indicates that the Au₁₈ cluster can undergo a transition from pyramidal to a hollow-cage structure during soft landing onto the rutile TiO₂(110) surface at ambient temperature, suggesting the high selectivity of the hollow-cage structure over the pyramidal structure in realistic soft-landing experiments.

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