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Kim, Sung Youb
Computational Advanced Nanomechanics (CAN) Lab
Research Interests
  • Computational Mechanics
  • Nanomechanics
  • Molecular Dynamics
  • FEM

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Graphene Origami with Highly Tunable Coefficient of Thermal Expansion

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Title
Graphene Origami with Highly Tunable Coefficient of Thermal Expansion
Author
Ho, Duc TamPark, Harold S.Kim, Sung YoubSchwingenschlögl, Udo
Issue Date
2020-07
Publisher
American Chemical Society
Citation
ACS Nano, v.14, no.7, pp.8969 - 8974
Abstract
The coefficient of thermal expansion, which measures the change in length, area, or volume of a material upon heating, is a fundamental parameter with great relevance for many applications. Although there are various routes to design materials with targeted coefficient of thermal expansion at the macroscale, no approaches exist to achieve a wide range of values in graphene-based structures. Here, we use molecular dynamics simulations to show that graphene origami structures obtained through pattern-based surface functionalization provide tunable coefficients of thermal expansion from large negative to large positive. We show that the mechanisms giving rise to this property are exclusive to graphene origami structures, emerging from a combination of surface functionalization, large out-of-plane thermal fluctuations, and the three-dimensional geometry of origami structures.
URI
https://scholarworks.unist.ac.kr/handle/201301/47476
URL
https://pubs.acs.org/doi/10.1021/acsnano.0c03791
DOI
10.1021/acsnano.0c03791
ISSN
1936-0851
Appears in Collections:
MNE_Journal Papers
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