Exotic Two-Dimensional Structure: The First Case of Hexagonal NaCl

被引:43
|
作者
Tikhomirova, Kseniya A. [1 ,6 ]
Tantardini, Christian [1 ,6 ]
Sukhanova, Ekaterina, V [1 ,2 ,3 ,6 ]
Popov, Zakhar, I [2 ,3 ]
Evlashin, Stanislav A. [1 ,6 ]
Tarkhov, Mikhail A. [4 ]
Zhdanov, Vladislav L. [5 ]
Dudin, Alexander A. [4 ]
Oganov, Artem R. [1 ,2 ,3 ,6 ]
Kvashnin, Dmitry G. [1 ,2 ,3 ,6 ]
Kvashnin, Alexander G. [1 ,6 ]
机构
[1] Skolkovo Inst Sci & Technol, Moscow 121205, Russia
[2] Emanuel Inst Biochem Phys RAS, Moscow 119334, Russia
[3] Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Russia
[4] Russian Acad Sci, Inst Nanotechnol Microelect, Moscow 119991, Russia
[5] Higher Sch Econ, Moscow 101000, Russia
[6] Northwestern Polytech Univ, Int Ctr Mat Discovery, Xian 710072, Peoples R China
来源
JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2020年 / 11卷 / 10期
基金
俄罗斯科学基金会;
关键词
REVEALING NONCOVALENT INTERACTIONS; TOTAL-ENERGY CALCULATIONS; INTERFACE STATE; THIN-FILMS; SURFACE; GROWTH; GRAPHENE; CU(111); PROGRAM; GRAPHITIZATION;
D O I
10.1021/acs.jpclett.0c00874
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:3821 / 3827
页数:7
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