Published February 2018 | Version v1
Journal article Metadata-only

Chemically uracil–functionalized carbon and silicon carbide nanotubes: Computational studies

Creators

  • 1. Department of Chemical Engineering, Faculty of Engineering, Universitas Muhammadiyah Surakarta, Surakarta (Indonesia)
  • 2. Bioinformatics Research Center, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan (Iran, Islamic Republic of)
  • 3. Department of Chemistry, Central Tehran Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of)

Description

Highlights: • Single standing hybrid nanotube structures have been constructed. • Polarizablity of nanotubes has been increased in the hybrid structures. • HOMO-LOMO gaps of nanotubes are almost the same in the gas-phase and water-solvated systems.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.matchemphys.2017.11.033

Additional details

Identifiers

DOI
10.1016/j.matchemphys.2017.11.033;
PII
S0254058417309124;

Publishing Information

Journal Title
Materials Chemistry and Physics
Journal Volume
205
Journal Page Range
p. 164-170
ISSN
0254-0584
CODEN
MCHPDR

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
49096520
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
CARBON NANOTUBES; DENSITY FUNCTIONAL METHOD; SILICON CARBIDES; URACILS
Descriptors DEC
AZINES; CALCULATION METHODS; CARBIDES; CARBON; CARBON COMPOUNDS; ELEMENTS; HETEROCYCLIC COMPOUNDS; HYDROXY COMPOUNDS; NANOSTRUCTURES; NANOTUBES; NONMETALS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; PYRIMIDINES; SILICON COMPOUNDS; VARIATIONAL METHODS

Optional Information

Copyright
Copyright (c) 2017 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.