English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  First-Principle-Based Phonon Transport Properties of Nanoscale Graphene Grain Boundaries

Sandonas, L. M., Sevincli, H., Gutierrez, R., & Cuniberti, G. (2018). First-Principle-Based Phonon Transport Properties of Nanoscale Graphene Grain Boundaries. Advanced Science, 5(2): 1700365. doi:10.1002/advs.201700365.

Item is

Files

show Files

Locators

show
hide
Description:
-
OA-Status:

Creators

show
hide
 Creators:
Sandonas, Leonardo Medrano1, Author           
Sevincli, Haldun2, Author
Gutierrez, Rafael2, Author
Cuniberti, Gianaurelio2, Author
Affiliations:
1Max Planck Institute for the Physics of Complex Systems, Max Planck Society, ou_2117288              
2external, ou_persistent22              

Content

show
hide
Free keywords: -
 MPIPKS: Dynamics on nanoscale systems
 Abstract: The integrity of phonon transport properties of large graphene (linear and curved) grain boundaries (GBs) is investigated under the influence of structural and dynamical disorder. To do this, density functional tight-binding (DFTB) method is combined with atomistic Green's function technique. The results show that curved GBs have lower thermal conductance than linear GBs. Its magnitude depends on the length of the curvature and out-of-plane structural distortions at the boundary, having stronger influence the latter one. Moreover, it is found that by increasing the defects at the boundary, the transport properties can strongly be reduced in comparison to the effect produced by heating up the boundary region. This is due to the large reduction of the phonon transmission for in-plane and out-of-plane vibrational modes after increasing the structural disorder in the GBs.

Details

show
hide
Language(s): eng - English
 Dates: 2018-01-112018-02-01
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: 000426200000028
DOI: 10.1002/advs.201700365
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Advanced Science
  Other : Adv. Sci.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 5 (2) Sequence Number: 1700365 Start / End Page: - Identifier: Other: 2198-3844
CoNE: https://pure.mpg.de/cone/journals/resource/2198-3844