Abstract
Density functional theory based first-principles investigation study is done on armchair silicene nanoribbons (ASiNRs) for adsorption of uric acid molecule. Pristine and defect-induced variants of ASiNR are considered, and the electronic and transport properties are calculated with the adsorption. The pristine ASiNR with zero band gap is engineered with defect to create a band gap, and a significant change in the band structure of defective ASiNR after the adsorption is observed. The adsorption energy of the defective complex is calculated as - 9.21eV which is more compared to that of the pristine counterpart, whose adsorption energy comes out to be 7.76eV. The study shows that introduction of defect reduced the sensitivity of ASiNR toward uric acid molecule.
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