Gas Sensors Based on U-shaped Graphene Nanoribbons: A first-principles Study
In this paper, I present first-principle calculations which are performed by using combination of DFT and NEGF methods to investigate the adsorption of CO2 and NH3 molecules on straight and U-shaped GNRs junctions. The density of state, molecular orbital, adsorption energy, transmission spectrum, an...
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| 格式: | Article |
| 語言: | English |
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H. : ĐHQGHN
2020
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| 主題: | |
| 在線閱讀: | http://repository.vnu.edu.vn/handle/VNU_123/78016 https//doi.org/ 10.25073/2588-1124/vnumap.4454 |
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