Graphene Layer Structure with 3% Random Silicon

By James Charles1; Sabre Kais1; Tillmann Christoph Kubis1

1. Purdue University

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Abstract

This .xyz file contains a 11,520,000 atoms structure of graphene with randomly placed Silicon. The concentration of Silicon is approximately 3%. This structure file was used to create the data in the paper "Recursive open boundary and interfaces method for material modeling, exemplified on grapehene with random defects."

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Researchers should cite this work as follows:

  • James Charles, Sabre Kais, Tillmann Christoph Kubis (2019), "Graphene Layer Structure with 3% Random Silicon," https://nanohub.org/resources/30959.

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Tags

  1. alloy
  2. Atoms
  3. graphene
  4. silicon