Tuning electronic and magnetic properties in monolayer MoSe2 by metal adsorption

被引：13

作者：

Huang, Songlei ^{[1
]}

Zhang, Quan ^{[1
]}

Liu, Shuai ^{[1
]}

Li, Hongping ^{[1
]}

Li, Changsheng ^{[1
]}

Meng, Jian ^{[2
]}

Tian, Yi ^{[3
]}

机构：

[1] Jiangsu Univ, Sch Mat Sci & Engn, Inst Adv Mat, Zhenjiang 212013, Peoples R China

[2] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resources Utilizat, Changchun 130022, Jilin, Peoples R China

[3] Natl Univ Singapore, Dept Chem, 3 Sci Dr 3, Singapore 117543, Singapore

来源：

CHEMICAL PHYSICS LETTERS | 2017年 / 687卷

基金：

中国国家自然科学基金;

关键词：

MoSe2; monolayer; Metal adsorption; Electronic and magnetic properties; First-principles calculations; LAYER; GRAPHENE;

D O I：

10.1016/j.cplett.2017.08.064

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：

We have systematically explored the electronic structures and magnetic properties of metal Pd, Pt, Cu, Ag, Au and Zn adsorbed MoSe2 monolayer by means of first-principles calculations. It reveals that stable chemical adsorption has been formed between the adatoms Pd, Pt, Cu, Ag, Au and MoSe2 monolayer, however, weak physical interaction is found between Zn and MoSe2 monolayer owing to the small adsorption energy. Both the framework structure and electronic property of the metal adsorbed MoSe2 monolayer are slightly tuned by the adatoms. More importantly, magnetic character is introduced in Cu, Ag and Au systems. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：54 / 59

页数：6

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