Gas Sensors Based on U-shaped Graphene Nanoribbons: A first-principles Study

• المؤلف الرئيسي: Nguyen, Tien Cuong
• التنسيق: مقال
• اللغة: English
• منشور في: H. : ĐHQGHN 2020
• الموضوعات: DFT; CO2 Adsorbed on Graphene; NH3 Adsorbed on Graphene; Graphene gas sensors
• الوصول للمادة أونلاين: http://repository.vnu.edu.vn/handle/VNU_123/78016; https//doi.org/ 10.25073/2588-1124/vnumap.4454
• المؤسسة: Vietnam National University, Hanoi

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...