The nucleation and growth of borophene on the Ag (111) surface
borophene, hexagonal vacancy, nucleation mechanism, first-principlescalculations
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.
Tsinghua University Press
Shaogang Xu,Yujun Zhao,Jihai Liao,Xiaobao Yang,Hu Xu, The nucleation and growth of borophene on the Ag (111) surface. NanoRes.2016, 9(9): 2616–2622