金表面硼罗芬单分子膜上硼原子团簇的演化(111)

IF 3.2 3区 化学 Q2 CHEMISTRY, PHYSICAL
Umashankar Rajput, Md Faiz Akhtar, Giriraj Vyas, Somnath Bhowmick, Prashant Kumar, Aparna Deshpande
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引用次数: 0

摘要

硼罗芬是一种具有金属丰度、迁移率和高表面能的量子材料。波罗芬具有多相性,生动的晶体结构决定了它的物理和化学性质。本文利用扫描隧道显微镜(STM)研究了液相剥离(LPE)硼罗芬吸附在Au(111)上时的形态演变。STM图像显示,β12硼罗芬单层在Au(111)上组装,进行了两次旋转涂层。在三次自旋涂覆过程中,硼原子团簇在β12硼烯单层上形成,表明界面相互作用强。因此,β12单层作为吸附团簇的模板。扫描隧道光谱实验数据和态密度计算证实了这些团簇本质上是金属的。利用密度泛函理论进行的综合计算与STM结果很好地吻合,并提供了β12硼烯吸附在Au上时硼团簇的稳定性的见解(111)。我们的工作促进了对LPE硼团簇的理解,并强调了β12单层的模板形态。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Evolution of Atomistic Boron Clusters on Borophene Monolayers on Au(111)

Evolution of Atomistic Boron Clusters on Borophene Monolayers on Au(111)
Borophene is one of the quantum materials with remarkable metallicity, mobility, and high surface energy. Borophene exhibits polyphasy, and the vivid crystallographic structures determine its physical and chemical properties. Herein, using scanning tunneling microscopy (STM), we report the morphological evolution of liquid-phase exfoliated (LPE) borophene when adsorbed on Au(111). STM images show that monolayers of β12 borophene assemble on Au(111) for two cycles of spin-coating. For three cycles of spin-coating, the formation of atomistic clusters of boron is observed on the β12 borophene monolayers, hinting at strong interfacial interactions. The β12 monolayer thus acts as a template for the adsorption of clusters. Scanning tunneling spectroscopy data experimentally and density of states computationally confirm that these clusters are metallic in nature. Comprehensive calculations using density functional theory align well with the STM results and provide insight into the stability of boron clusters on β12 borophene upon adsorption on Au(111). Our work advances the understanding of LPE boron clusters and highlights the template morphology of β12 monolayers.
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来源期刊
The Journal of Physical Chemistry C
The Journal of Physical Chemistry C 化学-材料科学:综合
CiteScore
6.50
自引率
8.10%
发文量
2047
审稿时长
1.8 months
期刊介绍: The Journal of Physical Chemistry A/B/C is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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