Improving the Sensory Properties of Layered Phospholipid-Graphene Films Due to the Curvature of Graphene Layers
1
Department of Physics, Saratov State University, Astrakhanskaya Street 83, 410012 Saratov, Russia
2
Laboratory of Biomedical Nanotechnology, I.M. Sechenov First Moscow State Medical University, Bolshaya Pirogovskaya Street 2-4, 119991 Moscow, Russia
*
Author to whom correspondence should be addressed.
Polymers 2020, 12(8), 1710; https://doi.org/10.3390/polym12081710
Received: 9 July 2020 / Revised: 27 July 2020 / Accepted: 28 July 2020 / Published: 30 July 2020
(This article belongs to the Special Issue Bioactive Polymer Scaffolds and Thin Films for Biomedical Applications: State-of-the-Art and Challenges)
This article is devoted to the in silico study of the sensory properties of mono- and bilayer phospholipid-graphene films with planar and curved graphene sheets. The DPPC (dipalmitoylphosphatidylcholine) molecules are considered as phospholipid structures. These molecules are part of lipid bilayers, liposomes and cell membranes. To find a way to improve the sensory properties of phospholipid-graphene films, we studied the effect of the curvature of the graphene sheet on the charge transfer and electrical conductivity of the films. The distribution of the electron charge density over the film atoms was calculated using the self-consistent-charge density-functional tight-binding method (SCC-DFTB). The calculation of the current through phospholipid-graphene films was carried out within the framework of the Landauer–Buttiker formalism using the Keldysh nonequilibrium Green function technique. As a result of the calculations, the optimal configuration of the arrangement of DPPC molecules between two graphene layers was established. This configuration provides the maximum possible increase in current to 1 μA at low voltages of ~0.2 V and is achieved for curved graphene with a radius of curvature of ~2.7 nm at individual points of graphene atomic network.
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Keywords:
sensory properties; phospholipid–graphene films; curvature; charge transfer; electrical conductivity; density-functional tight-binding method; electron charge density; current-voltage characteristic
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MDPI and ACS Style
Slepchenkov, M.M.; Glukhova, O.E. Improving the Sensory Properties of Layered Phospholipid-Graphene Films Due to the Curvature of Graphene Layers. Polymers 2020, 12, 1710. https://doi.org/10.3390/polym12081710
AMA Style
Slepchenkov MM, Glukhova OE. Improving the Sensory Properties of Layered Phospholipid-Graphene Films Due to the Curvature of Graphene Layers. Polymers. 2020; 12(8):1710. https://doi.org/10.3390/polym12081710
Chicago/Turabian StyleSlepchenkov, Michael M.; Glukhova, Olga E. 2020. "Improving the Sensory Properties of Layered Phospholipid-Graphene Films Due to the Curvature of Graphene Layers" Polymers 12, no. 8: 1710. https://doi.org/10.3390/polym12081710
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