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

Journal Article · Mon Jun 16 00:00:00 EDT 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4884201· OSTI ID:22299917

Broderick, Scott; Srinivasan, Srikant; Rajan, Krishna ^[1]; Ray, Upamanyu; Balasubramanian, Ganesh ^[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)

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.

• OSTI ID: 22299917
• Journal Information: Applied Physics Letters, Vol. 104, Issue 24; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY
CARRIER MOBILITY
CORRELATIONS
DECOMPOSITION
DENSITY
EIGENVALUES
GRAPHENE
NANOSTRUCTURES
PHONONS
SPECTRA