Name
Abstract | ||
|---|---|---|
Herein, we have investigated the adsorption behavior of gas molecules, including C2H2, H2S, SO2, SO3, and O-2, on FeN3-doped graphene (FeN3-gra). The change of geometric stability, electric structure, and magnetic properties is discussed comprehensively. The results have demonstrated that the stability of the substrate is enhanced by the hybridization between Fe and N atoms in FeN3-gra. Besides, the Fe dopant can enhance the adsorption ability of gases on graphene. The gas molecules all exhibit high binding strength on FeN3-gra especially for SO3 with the adsorption energy of -3.30 eV. The mechanism of interaction between gases and substrate is investigated based on the charge density difference and density of states, which can clarify the distribution of electrons and magnetic moments. Moreover, the high stability and sensitivity of FeN3-gra are promising characters for gas detection. Our research has paved the way for the application of the graphene-based material in gas sensor and electronic instrument. |
Year | DOI | Venue |
|---|---|---|
2022 | 10.1155/2022/9306741 | JOURNAL OF SENSORS |
DocType | Volume | ISSN |
Journal | 2022 | 1687-725X |
Citations | PageRank | References |
0 | 0.34 | 0 |
Authors | ||
8 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Tingyue Xie | 1 | 0 | 0.34 |
| Ping Wang | 2 | 10 | 12.69 |
| Cuifeng Tian | 3 | 0 | 0.34 |
| Guozheng Zhao | 4 | 0 | 0.34 |
| Jianfeng Jia | 5 | 0 | 0.34 |
| Chaozheng He | 6 | 0 | 0.34 |
| Chenxu Zhao | 7 | 0 | 0.34 |
| Haishun Wu | 8 | 0 | 0.34 |