Effects of L-serine amino acid functionalization on electronic properties of a graphene plane in comparison with oxygen functionalization.

Prasert, Kittiya; Sutthibutpong, Thana

Prasert, Kittiya; Sutthibutpong, Thana.

Affiliation

Prasert K; Theoretical and Computational Physics Group, Department of Physics, Faculty of Science, King Mongkut's University of Technology Thonburi, Bangkok, Thailand.
Sutthibutpong T; Theoretical and Computational Science Center (TaCS), Science Laboratory Building, Faculty of Science, King Mongkut's University of Technology Thonburi (KMUTT), 126 Pracha-Uthit Road, Bang Mod, Thrung Khru, Bangkok, 10140, Thailand.

J Mol Model ; 26(8): 206, 2020 Jul 13.

Article in En | MEDLINE | ID: mdl-32661790

Subject(s)

Electrons; Graphite/chemistry; Oxygen/chemistry; Serine/chemistry; Algorithms; Density Functional Theory; Hydroxyl Radical/chemistry; Models, Theoretical; Molecular Conformation; Molecular Dynamics Simulation; Spectrum Analysis

Key words

Density functional theory; Electronic structure; Graphene functionalization

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Oxygen / Serine / Electrons / Graphite Language: En Journal: J Mol Model Journal subject: BIOLOGIA MOLECULAR Year: 2020 Document type: Article Affiliation country: Thailand

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