Adsorption of toxic gases on Graphene/SiO2 and Graphene/h-BN
In this work, the adsorption of gases including five toxic gases CO2, CO, NO, NO2, NH3, and water vapor H2O adopted for hygrometer (humidity sensor) on two constructed heterostructures (G/h-BN and G/SiO2) were investigated on particular sites (Top, Hollow, and Bridge). To fully understand...
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| 格式: | Theses and Dissertations |
| 語言: | English |
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2020
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| 在線閱讀: | http://repository.vnu.edu.vn/handle/VNU_123/93302 |
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| 機構: | Vietnam National University, Hanoi |
| 語言: | English |
| 總結: | In this work, the adsorption of gases including five toxic gases CO2, CO, NO, NO2, NH3, and water vapor H2O adopted for hygrometer (humidity sensor) on two constructed heterostructures (G/h-BN and G/SiO2) were investigated on particular sites (Top, Hollow, and Bridge). To fully understand the adsorption mechanism of toxic gases on hybrid structures, DOS analysis was conducted. The aims here were to (1) analyze the optimal positions in gas adsorption, (2) rationalize the adsorption properties (adsorption energy and adsorptive distance) of gases on heterostructures, (3) decipher the adsorption mechanism by exploiting DOS diagram and (4) analyze the selectivity and sensitivity of constructed materials |
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