The formation of boron sheet at the Ag(111) surface: From clusters, ribbons, to monolayers

Abstract

Boron (B) sheet has been intently studied and various candidates with vacancies have been proposed by theoretical investigations, including the possible growth on metal surface. However, a recent experiment (Science 350, 1513, 2015) reported that the sheet formed on the Ag(111) surface was a buckled triangular lattice without vacancy. Our calculations combined with High-Throughput screening and the first-principles method demonstrate a novel growth mechanism of boron sheet from clusters, ribbons, to monolayers, where the B-Ag interaction is dominant in the nucleation of boron nanostructures. We have found that the simulated STM image of the sheet with 1/6 vacancies in a stripe pattern is in better agreement with the experimental observation, which is energetically favored during the nucleation and growth.

arXiv comment17 pages, 10 figures

References in corpus (3)

• Experimental Realization of Two-Dimensional Boron Sheets
• Novel Precursors for Boron Nanotubes: The Competition of Two-Center and Three-Center Bonding in Boron Sheets
• Probing the Synthesis of Two-Dimensional Boron by First-Principles Computations

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• Two-Dimensional Semiconducting Boron Monolayers
• New crystal structure prediction of fully hydrogenated borophene by first principles calculations
• Orbital pseudospin-momentum locking in two-dimensional chiral borophene
• Insights into the Unusual Semiconducting Behavior in Low-Dimensional Boron