1.
J Phys Chem Lett
; 11(10): 3821-3827, 2020 May 21.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32330050
RESUMO
NaCl is one of the simplest compounds and was thought to be well-understood, and yet, unexpected complexities related to it were uncovered at high pressure and in low-dimensional states. Here, exotic hexagonal NaCl thin films on the (110) diamond surface were crystallized in the experiment following a theoretical prediction based on ab initio evolutionary algorithm USPEX. State-of-the-art calculations and experiments showed the existence of a hexagonal NaCl thin film, which is due to the strong chemical interaction of the NaCl film with the diamond substrate.