Electronic and transport properties of silicene-based ammonia nanosensors: an ab initio study
作者： Gurleen Kaur Walia , Deep Kamal Kaur Randhawa
DOI: 10.1007/S11224-017-1025-9
关键词: Chemical physics 、 Chemistry 、 Density functional theory 、 Ab initio 、 Molecule 、 Computational chemistry 、 Silicene 、 Adsorption 、 Nanosensor 、 Dopant 、 Physisorption
摘要: … The geometrical structures of ammonia gas (NH 3 ) adsorbed on the four variants of ASiNRs (pristine, doped, and defective) were considered for analysis by using DFT-based [38] ab …
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