Voon LC (2016) Physical properties of silicene, In: Spencer MJS, Morishita T (eds.), Silicene, Springer Series in Materials Science 235, Switzerland pp 3–34 Spencer MJS Morishita T (2016) Silicene, Springer Series in Materials Science Volume 235. Osborn TH, Farajian AA, Pupysheva OV, Aga RS, Voon LC (2011) Ab initio simulations of silicene hydrogenation. Vogt P, De Padova DP, Quaresima C, Avila J, Frantzeskakis E, Asensio MC, Resta A, Ealet B, Lay GL (2012) Silicene: compelling experimental evidence for graphene like two-dimensional silicon. Phys Rev Lett 102:236804įeng B, Ding Z, Meng S, Yao Y, He X, Cheng P, Chen L, Wu K (2012) Evidence of silicene in honeycomb structures of silicon on Ag(111). Phys Rev B 50:14916Ĭahangirov S, Topsakal M, Akturk E, Sahin H, Ciraci S (2009) Two- and one-dimensional honeycomb structures of silicon and germanium. Takeda K, Shirashi K (1994) Theoretical possibility of stage corrugation in Si and Ge analogs of graphite. The study indicates that modified ASiNRs are potential candidates for nanoelectronic NH 3 gas sensors.Īghaei SM, Calizo I (2015) Band gap tuning of armchair silicene nanoribbons using periodic hexagonal holes. Defective ASiNRs are found to exhibit the strongest adsorption of all resulting in higher current as well. The findings are suggestive of defective and Al-doped ASiNRs being more suitable as sensors for NH 3 owing to the strong adsorption and large charge transfer of the gas molecule with these ASiNR variants whereas NH 3 exhibits physisorption on pristine and P-doped ASiNRs possessing minimal adsorption energy and charge transfer as well. NH 3 gas molecule exhibits stronger adsorption on ASiNRs with addition of defect and dopants. It has been observed that though the pristine ASiNR is not much sensitive to this gas molecule, but its sensitivity can be drastically enhanced by introducing defects and dopants. pristine, defective, Al-doped, and P-doped. Different variants of ASiNR have been considered viz. Using density functional theory (DFT) and non-equilibrium Green’s function (NEGF) formalism, the electronic and transport properties of ammonia (NH 3) molecule adsorbed on armchair silicene nanoribbons (ASiNRs) are calculated.
0 kommentar(er)
