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Title: An informatics based analysis of the impact of isotope substitution on phonon modes in graphene

It is shown by informatics that the high frequency short ranged modes exert a significant influence in impeding thermal transport through isotope substituted graphene nanoribbons. Using eigenvalue decomposition methods, we have extracted features in the phonon density of states spectra that reveal correlations between isotope substitution and phonon modes. This study also provides a data driven computational framework for the linking of materials chemistry and transport properties in 2D systems.
Authors:
; ;  [1] ; ;  [2]
  1. Department of Material Science and Engineering, Iowa State University, Ames, Iowa 50011 (United States)
  2. Department of Mechanical Engineering, Iowa State University, Ames, Iowa 50011 (United States)
Publication Date:
OSTI Identifier:
22299917
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 24; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; CARRIER MOBILITY; CORRELATIONS; DECOMPOSITION; DENSITY; EIGENVALUES; GRAPHENE; NANOSTRUCTURES; PHONONS; SPECTRA