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Adsorption characteristics of DNA nucleobases, aromatic amino acids and heterocyclic molecules on silicene and germanene monolayers
Univ Queensland, Ctr Theoret & Computat Mol Sci, Australian Inst Bioengn & Nanotechnol, Brisbane, Qld 4072, Australia..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. KAUST, Phys Sci & Engn Div PSE, Thuwal 239556900, Saudi Arabia.
Khon Kaen Univ, Integrated Nanotechnol Res Ctr, Dept Phys, Khon Kaen, Thailand..
Khon Kaen Univ, Integrated Nanotechnol Res Ctr, Dept Phys, Khon Kaen, Thailand.;Nanotec KKU Ctr Excellence Adv Nanomat Energy Pro, Khon Kaen, Thailand..
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2018 (English)In: Sensors and actuators. B, Chemical, ISSN 0925-4005, E-ISSN 1873-3077, Vol. 255, p. 2713-2720Article in journal (Refereed) Published
Abstract [en]

Binding of DNA/RNA nucleobases, aromatic amino acids and heterocyclic molecules on two-dimensional silicene and germanene sheets have been investigated for the application of sensing of biomolecules using first principle density functional theory calculations. Binding energy range for nucleobases, amino acids and heterocyclic molecules with both the sheets have been found to be (0.43-1.16 eV), (0.70-1.58 eV) and (0.22-0.96 eV) respectively, which along with the binding distances show that these molecules bind to both sheets by physisorption and chemisorption process. The exchange of electric charges between the monolayers and the incident molecules has been examined by means of Bader charge analysis. It has been observed that the introduction of DNA/RNA nucleobases, aromatic amino acids and heterocyclic molecules alters the electronic properties of both silicene and germanene nano sheets as studied by plotting the total (TDOS) and partial (PDOS) density of states. The DOS plots reveal the variation in the band gaps of both silicene and germanene caused by the introduction of studied molecules. Based on the obtained results we suggest that both silicene and germanene monolayers in their pristine form could be useful for sensing of biomolecules.

Place, publisher, year, edition, pages
2018. Vol. 255, p. 2713-2720
Keywords [en]
Adsorption characteristics, DNA nucleobases, Aromatic amino acids, Heterocyclic molecules
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:uu:diva-341967DOI: 10.1016/j.snb.2017.09.083ISI: 000414686500032OAI: oai:DiVA.org:uu-341967DiVA, id: diva2:1183865
Funder
Swedish Research CouncilCarl Tryggers foundation StandUpAvailable from: 2018-02-19 Created: 2018-02-19 Last updated: 2018-02-19Bibliographically approved

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Vovusha, HakkimAhuja, Rajeev

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