Controllable gas sensitive performance of 1T' WS2 monolayer instructed by strain: First-principles simulations

被引：14

作者：

Cao, Jiamu ^{[1
,2
,3
]}

Wang, Weiqi ^{[1
]}

Zhou, Jing ^{[1
]}

Chen, Junyu ^{[1
]}

Deng, Huichao ^{[4
]}

Zhang, Yufeng ^{[1
,2
,3
]}

Liu, Xiaowei ^{[1
,2
,3
]}

机构：

[1] Harbin Inst Technol, Sch Astronaut, Harbin, Peoples R China

[2] Minist Educ, Key Lab Microsyst & Microstruct Mfg, Harbin, Peoples R China

[3] Harbin Inst Technol, MEMS Ctr, Harbin, Peoples R China

[4] Beihang Univ, Beijing, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2020年 / 758卷

关键词：

Strain; Density functional theory; 1T' WS2; Gas sensing; Two-dimensional TMDs; TRANSITION-METAL DICHALCOGENIDES; NANOSHEETS; SENSOR;

D O I：

10.1016/j.cplett.2020.137921

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：

With the development of gas sensor technology, higher requirements are put forward for element sensitivity and controllable gas adsorption strength. Here, the adjustment effect of uniaxial or biaxial strains on 1T' WS2 is discussed to achieve the controllable adsorption performance of NO2. Results suggested that the adsorption strength can be controlled by the applied tensile strain when the strain was between 1% and 10%, and it increases with the increase of strain. The biaxial strain was more conducive to generate the orbital mixing between NO2 and 1T' WS2. The mechanism of strain affecting gas adsorption strength is clarified.

引用

页数：6

共 54 条

[1]

[Anonymous], 1960, ENG SCI

[2] Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materials [J].

Asres, Georgies Alene ;

Baldovi, Jose J. ;

Dombovari, Aron ;

Jarvinen, Topias ;

Lorite, Gabriela Simone ;

Mohl, Melinda ;

Shchukarev, Andrey ;

Perez Paz, Alejandro ;

Xian, Lede ;

Mikkola, Jyri-Pekka ;

Spetz, Anita Lloyd ;

Jantunen, Heli ;

Rubio, Angel ;

Kordas, Krisztian .

NANO RESEARCH, 2018, 11 (08) :4215-4224

[3] Sensing behavior of Al and Si doped BC3 graphenes to formaldehyde [J].

Beheshtian, Javad ;

Peyghan, Ali Ahmadi ;

Noei, M. .

SENSORS AND ACTUATORS B-CHEMICAL, 2013, 181 :829-834

[4] Quantum spin Hall effect and topological phase transition in HgTe quantum wells [J].

Bernevig, B. Andrei ;

Hughes, Taylor L. ;

Zhang, Shou-Cheng .

SCIENCE, 2006, 314 (5806) :1757-1761

[5] Stretching and Breaking of Ultrathin MoS2 [J].

Bertolazzi, Simone ;

Brivio, Jacopo ;

Kis, Andras .

ACS NANO, 2011, 5 (12) :9703-9709

[6] Dominating Role of Aligned MoS2/Ni3S2 Nanoarrays Supported on Three-Dimensional Ni Foam with Hydrophilic Interface for Highly Enhanced Hydrogen Evolution Reaction [J].

Cao, Jiamu ;

Zhou, Jing ;

Zhang, Yufeng ;

Wang, Yuxi ;

Liu, Xiaowei .

ACS APPLIED MATERIALS & INTERFACES, 2018, 10 (02) :1752-1760

[7]

Chen J., 2020, CHEM PHYS LETT, V749

[8] Mechanism of highly enhanced hydrogen storage by two-dimensional 1T′ MoS2 [J].

Chen, Junyu ;

Cao, Jiamu ;

Zhou, Jing ;

Zhang, Yufeng ;

Li, Mingxue ;

Wang, Weiqi ;

Liu, Junfeng ;

Liu, Xiaowei .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (02) :430-436

[9]

Chhowalla M, 2013, NAT CHEM, V5, P263, DOI [10.1038/NCHEM.1589, 10.1038/nchem.1589]

[10] Recent development of two-dimensional transition metal dichalcogenides and their applications [J].

Choi, Wonbong ;

Choudhary, Nitin ;

Han, Gang Hee ;

Park, Juhong ;

Akinwande, Deji ;

Lee, Young Hee .

MATERIALS TODAY, 2017, 20 (03) :116-130

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