Programs
- M. Tech. in Automotive Engineering -
- B. Sc. Clinical Nutrition, Dietetics, and Food Science - Undergraduate
Publication Type : Journal Article
Publisher : ACS Publication
Source : J. Phys. Chem. C 122, (2018) 7945
Url : https://pubs.acs.org/doi/10.1021/acs.jpcc.7b12603
Campus : Mysuru
Department : Chemistry
Year : 2018
Abstract : We study the stability and mechanical properties of adamantane-derived nanothreads (ANTs) and compare them with benzene-derived nanothreads (BNTs) using the density functional theory. The zigzag-catafused ANT has better thermodynamic stability, failure strain, and mechanical strength than BNTs. The presence of a six-member ring with chair conformation and the absence of nonbonded hydrogen interactions enhance the stability of zigzag-catafused ANT with desirable mechanical properties. The structural deformation of nanothreads under tensile strain is also studied to understand their stiffness and stability.
Cite this Research Publication : S. Marutheeswaran, E.D. Jemmis “Adamantane-Derived Carbon Nanothreads: High Structural Stability and Mechanical Strength” J. Phys. Chem. C 122, (2018) 7945