Arsenic Phosphorus Monolayer: A Promising Candidate for H2S Sensor and NO Degradation With High Sensitivity and Selectivity

作者：Zhang, Yingying; Tan, Chunjian; Yang, Qun; Ye, Huaiyu; Chen, Xian-Ping^*

来源：IEEE Electron Device Letters, 2017, 38(9): 1321-1324.

DOI：10.1109/LED.2017.2731367

• Arsenic phosphorus
• density functional theory
• nonequilibrium Green's function method
• gas sensors

The sensing behaviors of arsenic phosphorus (AsP) for nitric oxide (NO) and hydrogen sulfide (H2S) are investigated by means of the density functional theory and the nonequilibrium Green's function method. The calculated adsorption energy and charge transfer of H2S molecule on silicon-doped AsP (Si-AsP) are 0.352 eV and 0.106 e, respectively, indicating the presence of physisorption process. The H2S adsorption on aluminum-doped AsP is a chemisorption process with covalent bond formed. Furthermore, the calculated current-voltage (I-V) relation clearly shows that the substrate with and without H2S adsorption exhibits distinct responses. This property indicates that Si-AsP is expected to be the high-performance H2S sensor. The chemisorption is also observed in Si-/Al-doped AsP with NO molecule adsorption, suggesting the high potential in the application of NO degradation.

• 出版日期2017-9
• 单位重庆大学; 桂林电子科技大学