Atomistic modelling and simulation of transmission electron microscopy images: Application to intrinsic defects of graphene

Cyril Guedj, Leónard Jaillet, François Rousse, Stéphane Redon

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The characterization of advanced materials and devices in the nanometer range requires complex tools, and the data analysis at the atomic level is required to understand the precise links between structure and properties. This paper demonstrates that the atomic-scale modelling of graphene-based defects may be performed efficiently for various structural arrangements using the Brenner module of the SAMSON software platform. The signatures of all kinds of defects are computed in terms of energy and scanning transmission electron microscopy simulated images. The results are in good agreement with all theoretical and experimental data available. This original methodology is an excellent compromise between the speed and the precision required by the semiconductor industry and opens the possibility of realistic in-silico research conjugated to experimental nanocharacterisation of these promising materials.

Original languageEnglish
Title of host publicationSIMULTECH 2018 - Proceedings of 8th International Conference on Simulation and Modeling Methodologies, Technologies and Applications
EditorsFloriano De Rango, Tuncer Oren, Mohammad S. Obaidat, Mohammad S. Obaidat
PublisherSciTePress
Pages15-24
Number of pages10
ISBN (Electronic)9789897583230
DOIs
Publication statusPublished - 1 Jan 2018
Externally publishedYes
Event8th International Conference on Simulation and Modeling Methodologies, Technologies and Applications, SIMULTECH 2018 - Porto, Portugal
Duration: 29 Jul 201831 Jul 2018

Publication series

NameSIMULTECH 2018 - Proceedings of 8th International Conference on Simulation and Modeling Methodologies, Technologies and Applications

Conference

Conference8th International Conference on Simulation and Modeling Methodologies, Technologies and Applications, SIMULTECH 2018
Country/TerritoryPortugal
CityPorto
Period29/07/1831/07/18

Keywords

  • Atomic
  • Atomistic
  • Brenner
  • Characterization
  • Defects
  • Electron microscopy
  • Graphene
  • Image
  • Materials
  • Microscopy
  • Microstructure
  • Modelling
  • Samson
  • Simulation
  • Stem
  • Tem
  • Vacancy

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