Structural investigation and C₆₀ adsorption on the (100) surface of a 1/1 pseudo-Tsai-type Au-Si-Ho quasicrystalline approximant.

IF 1.8 4区材料科学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta Crystallographica Section A: Foundations and Advances Pub Date : 2026-03-01 Epub Date: 2026-01-09 DOI:10.1107/S2053273325011040

Wilfried Bajoun Mbajoun, Yu Chin Huang, Girma Hailu Gebresenbut, Cesar Pay Gómez, Vincent Fournée, Julian Ledieu

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引用次数: 0

Abstract

Tsai-type 1/1 quasicrystalline approximants in the Au-Si-RE (RE = Ho, Tb) system are body-centered cubic phases decorated by clusters having their inner part occupied by either a disordered tetrahedron (IT) or a single rare-earth atom (CC). The system investigated in the present study is the Au-Si-Ho(CC) compound having full occupation of the cluster centers by single Ho atoms. We present a detailed study of the structure and reactivity of its (100) surface using scanning tunneling microscopy and X-ray photoelectron spectroscopy. After annealing Au-Si-Ho(CC) between 725 K and 880 K, the surface exhibits a (2 × 2) surface reconstruction. The surface appears to terminate at specific bulk planes intersecting Tsai-type cluster centers. Adsorption of C₆₀ molecules on this surface leads to a film with a hexagonal structure corresponding to a (111) plane of the C₆₀ bulk structure. Compared with a previous report on the (100) surface of the Au-Si-Ho 1/1 approximant having a mixed IT and CC decoration, it appears that cluster center decoration does not affect the surface plane selection rule in Tsai-type approximants. However, the inner decoration affects the atomic structure within the selected surface termination and the structure of C₆₀ thin films formed on these surfaces.

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1/1伪tsai型Au-Si-Ho准晶近似物的结构研究及C60在（100）表面的吸附。

Au-Si-RE （RE = Ho, Tb）体系中的cai型1/1准晶近似物是由内部被无序四面体（IT）或单个稀土原子（CC）占据的团簇装饰的体心立方相。本研究研究的体系是由单个Ho原子完全占据团簇中心的Au-Si-Ho（CC）化合物。我们用扫描隧道显微镜和x射线光电子能谱对其（100）表面的结构和反应性进行了详细的研究。Au-Si-Ho（CC）在725 K和880 K之间退火后，表面呈现出（2 × 2）的表面重构。表面似乎终止于与蔡型簇中心相交的特定体面。C60分子在该表面上的吸附导致具有与C60体结构（111）平面相对应的六角形结构的膜。与之前关于混合IT和CC装饰的Au-Si-Ho 1/1近似的（100）表面的报道相比，似乎簇中心装饰不影响tsai型近似的表面平面选择规则。然而，内部装饰会影响所选表面末端内的原子结构以及在这些表面上形成的C60薄膜的结构。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section A: Foundations and Advances CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

2.60

自引率

11.10%

发文量

419

期刊介绍： Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.