Research Article


2016, 9(9): 2616–2622


The nucleation and growth of borophene on the Ag (111)surface

Shaogang Xu1,2, Yujun Zhao1, Jihai Liao1, Xiaobao Yang1 (*), and Hu Xu2 (*)

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1 Department of Physics, South China University of Technology, Guangzhou 510640, China
2 Department of Physics, South University of Science and Technology of China, Shenzhen 518055, China

Keywords: borophene,hexagonal vacancy,nucleation mechanism,first-principlescalculations
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B sheets have been intently studied, and various candidates with vacancies havebeen reported in theoretical investigations, including their possible growth onmetal surfaces. However, a recent experiment reported that the boropheneformed on a Ag (111) surface consisted of a buckled triangular lattice withoutvacancies. Our calculations propose a novel nucleation mechanism of B clustersand emphasize the B–Ag interaction in the growth process of borophene,demonstrating the structural evolution of triangular fragments with variousprofiles and vacancy distributions. Compared with the triangular lattice withoutvacancies, we have confirmed that the sheet energetically favored during thenucleation and growth is that containing 1/6 vacancies in a stripe pattern, whosescanning tunneling microscopy image is in better agreement with the experimentalobservation.
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The nucleation and growth of borophene on the Ag (111)surface. Nano Res. 2016, 9(9): 2616–2622

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