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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主要作者: Phạm, Bá Lịch
其他作者: Dinh, Van An
格式: Theses and Dissertations
語言:English
出版: 2020
主題:
620
在線閱讀:http://repository.vnu.edu.vn/handle/VNU_123/93302
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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