Interaction studies of kidney biomarker volatiles on black phosphorene nanoring: A first-principles investigation.

Authors :: Sruthy PC
Nagarajan V
Chandiramouli R
Source :: Journal of molecular graphics & modelling [J Mol Graph Model] 2020 Jun; Vol. 97, pp. 107566. Date of Electronic Publication: 2020 Feb 10.
Publication Year :: 2020
Abstract: We report the electronic properties of black phosphorene nanoring (BPN) and adsorption behavior of chronic kidney disease biomarker vapors on BPN. The designed BPN is stable, which is ensured by the formation energy with a value of -3.857eV/atom. The band gap of BPN is recorded as 0.716eV showing the semiconductor property. The prominent kidney disease biomarker vapors, namely isoprene, pentanal, hexanal, heptanal are allowed to interact on BPN and studied based on adsorption property on BPN. Based on charge transfer, energy band gap variation and adsorption energy, we studied the adsorption behavior of BPN towards kidney disease biomarkers. Our findings show that BPN can be used to detect the presence of kidney biomarkers.<br />Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this research article.<br /> (Copyright © 2020 Elsevier Inc. All rights reserved.)

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