Sensing Behavior of Two Dimensional Al- and P-Doped WS2 Toward NO, NO2, and SO2: an Ab Initio Study

• Published in: Nanoscale research letters Vol. 15; no. 1; pp. 158 - 9
• Main Authors: Cao, Jiamu, Zhou, Jing, Liu, Junfeng, Wang, Weiqi, Chen, Junyu, Shi, Jianing, Zhang, Yufeng, Liu, Xiaowei
• Format: Journal Article
• Language: English
• Published: New York Springer US 05.08.2020; Springer Nature B.V; SpringerOpen
• Subjects: Adsorption; Binding energy; Carbon dioxide; Chemistry and Materials Science; Density functional theory; Density of states; Dopants; Gas adsorption property; Gas sensors; Gas-sensing performance; Gases; Materials Science; Molecular Medicine; Molecular modelling; Nano Express; Nanochemistry; Nanoscale Science and Technology; Nanotechnology; Nanotechnology and Microengineering; Nitrogen dioxide; Nitrogen oxides; Sensitivity; Sulfur dioxide; Transition metal compounds; Transition metal dichalcogenides; Tungsten disulfide; Two dimensional materials; Binding energy; Doped WS; Gas adsorption property; Nitrogen oxides; Density functional theory; Gas-sensing performance; Transition metal dichalcogenides; Sulfur dioxide

Two-dimensional transition metal dichalcogenides (2D TMDs), such as WS 2 , are considered to have the potential for high-performance gas sensors. It is a pity that the interaction between gases and pristine 2D WS 2 as the sensitive element is too weak so that the sensor response is difficult to dete...