Published November 1, 2018 | Version v1
Journal article Metadata-only

Dehydrogenation of graphane by external driving

Creators

  • 1. Institute for Metals Superplasticity Problems, Russian Academy of Sciences, 39 Khalturin st., Ufa 450001 (Russian Federation)
  • 2. Department of Physics, Faculty of Science, Ferdowsi University of Mashhad, Mashhad (Iran, Islamic Republic of)
  • 3. Institute of Mathematics, Ufa Research Center, Russian Academy of Sciences, 112 Chernyshevsky St., Ufa 450008 (Russian Federation)
  • 4. Nanyang Technological University, 50 Nanyang Ave., Singapore 639798 (Singapore)

Description

The dehydrogenation of graphane due to external harmonic driving is studied by molecular dynamics simulation. It is found that the dehydrogenation can be initiated by harmonic driving of carbon atoms with as small amplitude as 0.02 Å, if the driving frequency is somewhat above the small-amplitude vibration frequency of the C-H bond. Thus, a novel mechanism for the dehydrogenation of graphane is reported. (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/1757-899X/447/1/012011

Additional details

Identifiers

DOI
10.1088/1757-899X/447/1/012011;

Publishing Information

Journal Title
IOP Conference Series. Materials Science and Engineering (Online)
Journal Volume
447
Journal Issue
1
Journal Page Range
[5 p.]
ISSN
1757-899X

Conference

Title
Open School-Conference of NIS Countries Ultrafine Grained and Nanostructured Materials
Dates
1-5 Oct 2018
Place
Ufa (Russian Federation)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
52101639
Subject category
S36: MATERIALS SCIENCE; S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
CARBON; COMPUTERIZED SIMULATION; DEHYDROGENATION; HARMONICS; MOLECULAR DYNAMICS METHOD
Descriptors DEC
CALCULATION METHODS; CHEMICAL REACTIONS; ELEMENTS; NONMETALS; OSCILLATIONS; SIMULATION