• About MaX
  • Goals
  • Organisation
  • MaX in a nutshell
  • People at MaX
  • Codes at MaX
  • Project Repository
  • Publications
  • Job openings
  • Newsletter
  • Communication
  • News & Events
  • MaX 2018-2021
• Software
  • Codes
  • Features and algorithms
  • Libraries
  • Workflows
• Exascale
  • Deployments
  • Programming models
  • Co-design
  • Performances
  • Separation of concerns
• Data
  • Fact & Figures
• Services
  • MaX Container technology for HPC system
  • MaX Help Desk
  • MaX High level consultancy
  • Simulations on premises and in the cloud
  • Turn-key materials solutions
  • Services to the Industry
  • Facts & Figures
  • FAQ
• Training
  • Training materials
    • Open Online courses and videolectures
    • Presentations
    • Training material related to the MaX flagship codes
  • List of workshops & schools
  • Training through research in the MaX labs
  • Fact & Figures
• Contact us

Reconstruction of Zigzag Graphene Edges: Energetics, Kinetics, and Residual Defects

Home / Reconstruction of Zigzag Graphene Edges: Energetics, Kinetics, and Residual Defects

Polynskaya, Yulia G; Lebedeva, Irina V.; Knizhnik, Andrey A.; Popov, Andrey M.

DOI: https://doi.org/10.1021/acs.jpclett.2c02706 Journal of Physical Chemistry Letters Open Access Volume 13, Issue 44, Pages 10326 - 1033010 November 2022 https://max-centre.eu/10.1021/acs.jpclett.2c02706