VinaR - Repository of the Vinča Nuclear Institute
    • English
    • Српски
    • Српски (Serbia)
  • English 
    • English
    • Serbian (Cyrillic)
    • Serbian (Latin)
  • Login
View Item 
  •   Vinar
  • Vinča
  • Radovi istraživača
  • View Item
  •   Vinar
  • Vinča
  • Radovi istraživača
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Investigation of the graphene thermal motion by rainbow scattering

Authorized Users Only
2019
Authors
Ćosić, Marko
Hadžijojić, Milivoje
Rymzhanov, Ruslan
Petrović, Srđan M.
Bellucci, Stefano
Article (Published version)
,
© 2018 Elsevier Ltd
Metadata
Show full item record
Abstract
The thermal motion of graphene atoms was investigated using angular distributions of transmitted protons. The static proton-graphene interaction potential was constructed applying the Doyle-Turner's expression for the proton-carbon interaction potential. The effects of atom thermal motion were incorporated by averaging the static proton-graphene interaction potential over the distribution of atom displacements. The covariance matrix of graphene displacements was modeled according to the Debye theory, and calculated using Molecular Dynamics approach. Proton trajectories were used for construction of angular yields. We have found that there are lines, called rainbows, along which the angular yield is very large. Their evolution in respect to different sample orientation was examined in detail. Further we found that atom thermal motion has negligible influence on rainbows generated by protons experiencing distant collisions with the carbon atoms forming the graphene hexagon. On the other ...hand, rainbows generated by protons experiencing close collisions with the carbon atoms can be modeled by ellipses whose parameters are very sensitive to the structure of the covariance matrix. Numerical procedure was developed for extraction of the covariance matrix from the corresponding rainbow patterns in the general case, when atoms perform fully anisotropic and correlated motion. © 2019 Elsevier Ltd

Keywords:
Graphene / Graphene nanoribbon / Molecular dynamics / Rainbow scattering / Thermal motion
Source:
Carbon, 2019, 145, 161-174
Funding / projects:
  • Physics and Chemistry with Ion Beams (RS-45006)
  • Joint Institute for Nuclear Research - JINR (RFMEFI62117X0016)
Note:
  • Peer-reviewed version of the article (Accepted Manuscript or postprint) available at: https://vinar.vin.bg.ac.rs/handle/123456789/8031

DOI: 10.1016/j.carbon.2019.01.020

ISSN: 0008-6223

WoS: 000466073000018

Scopus: 2-s2.0-85059865647
[ Google Scholar ]
2
2
URI
https://vinar.vin.bg.ac.rs/handle/123456789/8022
Collections
  • Radovi istraživača
Institution/Community
Vinča
TY  - JOUR
AU  - Ćosić, Marko
AU  - Hadžijojić, Milivoje
AU  - Rymzhanov, Ruslan
AU  - Petrović, Srđan M.
AU  - Bellucci, Stefano
PY  - 2019
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8022
AB  - The thermal motion of graphene atoms was investigated using angular distributions of transmitted protons. The static proton-graphene interaction potential was constructed applying the Doyle-Turner's expression for the proton-carbon interaction potential. The effects of atom thermal motion were incorporated by averaging the static proton-graphene interaction potential over the distribution of atom displacements. The covariance matrix of graphene displacements was modeled according to the Debye theory, and calculated using Molecular Dynamics approach. Proton trajectories were used for construction of angular yields. We have found that there are lines, called rainbows, along which the angular yield is very large. Their evolution in respect to different sample orientation was examined in detail. Further we found that atom thermal motion has negligible influence on rainbows generated by protons experiencing distant collisions with the carbon atoms forming the graphene hexagon. On the other hand, rainbows generated by protons experiencing close collisions with the carbon atoms can be modeled by ellipses whose parameters are very sensitive to the structure of the covariance matrix. Numerical procedure was developed for extraction of the covariance matrix from the corresponding rainbow patterns in the general case, when atoms perform fully anisotropic and correlated motion. © 2019 Elsevier Ltd
T2  - Carbon
T1  - Investigation of the graphene thermal motion by rainbow scattering
VL  - 145
SP  - 161
EP  - 174
DO  - 10.1016/j.carbon.2019.01.020
ER  - 
@article{
author = "Ćosić, Marko and Hadžijojić, Milivoje and Rymzhanov, Ruslan and Petrović, Srđan M. and Bellucci, Stefano",
year = "2019",
abstract = "The thermal motion of graphene atoms was investigated using angular distributions of transmitted protons. The static proton-graphene interaction potential was constructed applying the Doyle-Turner's expression for the proton-carbon interaction potential. The effects of atom thermal motion were incorporated by averaging the static proton-graphene interaction potential over the distribution of atom displacements. The covariance matrix of graphene displacements was modeled according to the Debye theory, and calculated using Molecular Dynamics approach. Proton trajectories were used for construction of angular yields. We have found that there are lines, called rainbows, along which the angular yield is very large. Their evolution in respect to different sample orientation was examined in detail. Further we found that atom thermal motion has negligible influence on rainbows generated by protons experiencing distant collisions with the carbon atoms forming the graphene hexagon. On the other hand, rainbows generated by protons experiencing close collisions with the carbon atoms can be modeled by ellipses whose parameters are very sensitive to the structure of the covariance matrix. Numerical procedure was developed for extraction of the covariance matrix from the corresponding rainbow patterns in the general case, when atoms perform fully anisotropic and correlated motion. © 2019 Elsevier Ltd",
journal = "Carbon",
title = "Investigation of the graphene thermal motion by rainbow scattering",
volume = "145",
pages = "161-174",
doi = "10.1016/j.carbon.2019.01.020"
}
Ćosić, M., Hadžijojić, M., Rymzhanov, R., Petrović, S. M.,& Bellucci, S.. (2019). Investigation of the graphene thermal motion by rainbow scattering. in Carbon, 145, 161-174.
https://doi.org/10.1016/j.carbon.2019.01.020
Ćosić M, Hadžijojić M, Rymzhanov R, Petrović SM, Bellucci S. Investigation of the graphene thermal motion by rainbow scattering. in Carbon. 2019;145:161-174.
doi:10.1016/j.carbon.2019.01.020 .
Ćosić, Marko, Hadžijojić, Milivoje, Rymzhanov, Ruslan, Petrović, Srđan M., Bellucci, Stefano, "Investigation of the graphene thermal motion by rainbow scattering" in Carbon, 145 (2019):161-174,
https://doi.org/10.1016/j.carbon.2019.01.020 . .

DSpace software copyright © 2002-2015  DuraSpace
About the VinaR Repository | Send Feedback

OpenAIRERCUB
 

 

All of DSpaceInstitutions/communitiesAuthorsTitlesSubjectsThis institutionAuthorsTitlesSubjects

Statistics

View Usage Statistics

DSpace software copyright © 2002-2015  DuraSpace
About the VinaR Repository | Send Feedback

OpenAIRERCUB