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Hou, Shuhan (author), Wang, Zhaokun (author), Yang, Huiru (author), Jiang, Jing (author), Gao, Chenshan (author), Liu, Yufei (author), Tang, Xiaosheng (author), Ye, H. (author)For the relevant properties of pristine and doped (Si, P, Se, Te, As) monolayer WS<sub>2</sub> before and after the adsorption of CO, CO<sub>2</sub>, N<sub>2</sub>, NO, NO<sub>2</sub> and O<sub>2</sub>, density functional theory (DFT) calculations are made. Calculation results reveal that the monolayer WS<sub>2</sub> doped with P and As atoms...journal article 2022
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Yang, Huiru (author), Li, Junfeng (author), Shao, Ziyuan (author), Tan, C. (author), Gao, Chenshan (author), Cui, Hongyuan (author), Tang, Xiaosheng (author), Liu, Yufei (author), Zhang, Kouchi (author), Ye, H. (author)The development of high-performance gas sensing materials is one of the development trends of new gas sensor technology. In this work, in order to predict the gas-sensitive characteristics of HfSe<sub>2</sub> and its potential as a gas-sensitive material, the interactions of nonmetallic element (O, S, Te) doped HfSe<sub>2</sub> monolayer and...journal article 2022