First Principles Investigation of Small Molecules Adsorption on Antimonene

被引：122

作者：

Meng, Rui-Shen ^{[1
]}

Cai, Miao ^{[1
]}

Jiang, Jun-Ke ^{[1
]}

Liang, Qiu-Hua ^{[1
]}

Sun, Xiang ^{[1
]}

Yang, Qun ^{[1
]}

Tan, Chun-Jian ^{[1
]}

Chen, Xian-Ping ^{[2
,3
]}

机构：

[1] Guilin Univ Elect Technol, Sch Mech & Elect Engn, Guilin 541004, Peoples R China

[2] Chongqing Univ, Key Lab Optoelect Technol & Syst, Educ Minist China, Chongqing 400044, Peoples R China

[3] Guilin Univ Elect Technol, Fac Electromech Engn, Guilin 541004, Peoples R China

来源：

IEEE ELECTRON DEVICE LETTERS | 2017年 / 38卷 / 01期

基金：

中国国家自然科学基金;

关键词：

Antimonene; first principles calculations; polluted gases; sensors; CHARGE-TRANSFER; GAS; PHOSPHORENE; GRAPHENE;

D O I：

10.1109/LED.2016.2633569

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

The gas-adsorption behaviors of the pristine antimonene are investigated by first principles calculations to exploit its potential for high-performance gas sensing. The results show that the atmospheric gas molecules (N-2, CO2, O-2, and H2O) presented ubiquitously in the sensing environments weakly bind to antimonene, while the polluted gas adsorbates (NH3, SO2, NO, and NO2) show stronger affinity toward antimonene with considerable adsorption energies and elevated charge transfers. Considering the susceptibility of the electronic properties of antimonene induced by the adsorbed molecules, we suggest that single-layered antimonene could be an eligible sensing material for polluted gases detection.

引用

页码：134 / 137

页数：4

共 28 条

[1] Black Phosphorus Gas Sensors [J].

Abbas, Ahmad N. ;

Liu, Bilu ;

Chen, Liang ;

Ma, Yuqiang ;

Cong, Sen ;

Aroonyadet, Noppadol ;

Koepf, Marianne ;

Nilges, Tom ;

Zhou, Chongwu .

ACS NANO, 2015, 9 (05) :5618-5624

[2]

[Anonymous], 2015, ANGEW CHEM INT EDIT, DOI DOI 10.1002/anie.201411246

[3]

Ares P, 2016, ADV MATER, V28, P6332, DOI [10.1002/adma.201602128, 10.1002/adma.201670209]

[4] A SIMPLE MEASURE OF ELECTRON LOCALIZATION IN ATOMIC AND MOLECULAR-SYSTEMS [J].

BECKE, AD ;

EDGECOMBE, KE .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (09) :5397-5403

[5] Energetics, Charge Transfer, and Magnetism of Small Molecules Physisorbed on Phosphorene [J].

Cai, Yongqing ;

Ke, Qingqing ;

Zhang, Gang ;

Zhang, Yong-Wei .

JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (06) :3102-3110

[6] Density-Functional Calculation of Methane Adsorption on Graphenes [J].

Chen, Xian-Ping ;

Yang, Ning ;

Ni, Jia-Ming ;

Cai, Miao ;

Ye, Huai-Yu ;

Wong, Cell K. Y. ;

Leung, Stanely Y. Y. ;

Ren, Tian-Ling .

IEEE ELECTRON DEVICE LETTERS, 2015, 36 (12) :1366-1368

[7] Ab Initio Study of the Adsorption of Small Molecules on Stanene [J].

Chen, Xianping ;

Tan, Chunjian ;

Yang, Qun ;

Meng, Ruishen ;

Liang, Qiuhua ;

Cai, Miao ;

Zhang, Shengli ;

Jiang, Junke .

JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (26) :13987-13994

[8] Nanowire-based gas sensors [J].

Chen, Xianping ;

Wong, Cell K. Y. ;

Yuan, Cadmus A. ;

Zhang, Guoqi .

SENSORS AND ACTUATORS B-CHEMICAL, 2013, 177 :178-195

[9] Ultrahigh sensitivity and layer-dependent sensing performance of phosphorene-based gas sensors [J].

Cui, Shumao ;

Pu, Haihui ;

Wells, Spencer A. ;

Wen, Zhenhai ;

Mao, Shun ;

Chang, Jingbo ;

Hersam, Mark C. ;

Chen, Junhong .

NATURE COMMUNICATIONS, 2015, 6

[10] Gas adsorption on graphene doped with B, N, Al, and S: A theoretical study [J].

Dai, Jiayu ;

Yuan, Jianmin ;

Giannozzi, Paolo .

APPLIED PHYSICS LETTERS, 2009, 95 (23)

← 1 2 3 →