电荷(物理)
吸附
费米能级
电子转移
分子
各向异性
材料科学
化学物理
电子能带结构
电子
带隙
化学
原子物理学
光电子学
凝聚态物理
物理
物理化学
光学
量子力学
有机化学
作者
Óscar Leonardo Camargo Moreira,Wei-Ying Cheng,Huei‐Ru Fuh,W. Y. Chien,Wenjie Yan,Haifeng Fei,Hongjun Xu,Zongshuan Duan,Yanhui Chen,Yanfeng Zhao,Yanhui Lv,Gang Wu,Chengzhai Lv,S. K. Arora,Cormac Ó Coileáin,Chenglin Heng,Chih Shiang Chang,Han‐Chun Wu
出处
期刊:ACS Sensors
[American Chemical Society]
日期:2019-08-28
卷期号:4 (9): 2546-2552
被引量:73
标识
DOI:10.1021/acssensors.9b01461
摘要
SnSe2 is an anisotropic binary-layered material with rich physics, which could see it used for a variety of potential applications. Here, we investigate the gas-sensing properties of SnSe2 using first-principles calculations and verify predictions using a gas sensor made of few-layer SnSe2 grown by chemical vapor deposition. Theoretical simulations indicate that electrons transfer from SnSe2 to NO2, whereas the direction of charge transfer is the opposite for NH3. Notably, a flat molecular band appears around the Fermi energy after NO2 adsorption and the induced molecular band is close to the conduction band minimum. Moreover, compared with NH3, NO2 molecules adsorbed on SnSe2 have a lower adsorption energy and a higher charge transfer value. The dynamic-sensing responses of SnSe2 sensors confirm the theoretical predictions. The good match between the theoretical prediction and experimental demonstration suggests that the underlying sensing mechanism is related to the charge transfer and induced flat band. Our results provide a guideline for designing high-performance gas sensors based on SnSe2.
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