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

页码：3821 / 3827

页数：7

共 65 条

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