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Growth and Redox Properties of Boron on Al(111): Competing Affinities in the Case of Honeycomb AlB2
ACS Nano ( IF 17.1 ) Pub Date : 2024-05-10 , DOI: 10.1021/acsnano.3c09790
Pietro Biasin 1 , Mandana Safari 2 , Elena Ghidorsi 1 , Stefania Baronio 1 , Mattia Scardamaglia 3 , Alexei B. Preobrajenski 3 , Nikolay A. Vinogradov 3 , Alessandro Sala 4 , Cinzia Cepek 4 , Stefano de Gironcoli 2, 5 , Stefano Baroni 2, 5 , Erik Vesselli 1, 4, 6
Affiliation  

The complexity of the geometric and electronic structure of boron allotropes is associated with the multicentric bonding character and the consequent B polymorphism. When growth is limited to two-dimensions (2D), the structural and electronic confinement yields the borophenes family, where the interaction with the templating substrate actually determines the stability of inequivalent boron phases. We report here a detailed study of the growth of the honeycomb AlB2 phase on Al(111), followed by an investigation of its oxidation and reduction properties. By means of a combined experimental and theoretical approach, we show that the structure of the B/Al interface is affected by the complex interplay between B, Al, and common reactive agents like oxygen and hydrogen. While kinetic effects associated with diffusion and strain release influence the AlB2 growth in vacuo, Al, B, O, and H chemical affinities determine its redox behavior. Reduction with atomic hydrogen involves the B layer and yields an ordered honeycomb borophane H/AlB2 phase. Instead, oxidation takes place at the Al interface, giving origin to buried and 1D surface aluminum oxide phases.

中文翻译:

硼在 Al(111) 上的生长和氧化还原性质:蜂窝 AlB2 情况下的竞争亲和力

硼同素异形体的几何和电子结构的复杂性与多中心键合特性和随之而来的 B 多态性有关。当生长仅限于二维 (2D) 时,结构和电子限制会产生硼烯族,其中与模板基底的相互作用实际上决定了不等价硼相的稳定性。我们在此报告了对 Al(111) 上蜂窝状 AlB 2相生长的详细研究,随后对其氧化和还原性质进行了研究。通过实验和理论相结合的方法,我们表明 B/Al 界面的结构受到 B、Al 和常见反应剂(如氧和氢)之间复杂相互作用的影响。虽然与扩散和应变释放相关的动力学效应影响 AlB 2在真空中的生长,但 Al、B​​、O 和 H 化学亲和力决定其氧化还原行为。用原子氢还原涉及 B 层并产生有序的蜂窝状硼烷 H/AlB 2相。相反,氧化发生在 Al 界面,从而产生埋藏和一维表面氧化铝相。
更新日期:2024-05-10
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