MRS Meetings and Events

 

NM01.17.30 2022 MRS Spring Meeting

Density Functional Theory Driven Phononic Thermal Conductivity Prediction of Biphenylene—A Comparison with Graphene

When and Where

May 11, 2022
5:00pm - 7:00pm

Hawai'i Convention Center, Level 1, Kamehameha Exhibit Hall 2 & 3

Presenter

Co-Author(s)

Ankit Jain1,Harish Veeravenkata1

Indian Institute of Technology Bombay1

Abstract

Ankit Jain1,Harish Veeravenkata1

Indian Institute of Technology Bombay1
The thermal transport properties of biphenylene network (BPN), a novel sp<sup>2</sup>-hybridized two-dimensional allotrope of carbon atoms recently realized in experiments [Fan et al., Science, 372 852–856 (2021)], are studied using the density functional theory-driven solution of the Boltzmann transport equation. The thermal transport in BPN is anisotropic and the obtained thermal conductivities are more than an order of magnitude lower than that in graphene, despite similar sp<sup>2</sup>-hybridized planar-structure of both allotropes. The lower thermal conductivity in BPN is found to originate from enhanced anharmonicity which in turn is a result of reduced crystal symmetry of BPN.

Keywords

thermal conductivity

Symposium Organizers

Zakaria Al Balushi, University of California, Berkeley
Olga Kazakova, National Physical Laboratory
Su Ying Quek, National University of Singapore
Hyeon Jin Shin, Samsung Advanced Institute of Technology

Symposium Support

Bronze
Applied Physics Reviews | AIP Publishing
ATTOLIGHT AG
Penn State 2DCC-MIP

Session Chairs

Zakaria Al Balushi

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NM01.17.11
Change in the Phonon Frequency Spectra of Xenes due to an Isotopic Impurity

NM01.17.13
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NM01.17.14
The Synthesis and Characterization of Homogeneous High-Quality Graphene Encapsulated Metallic Powders via Plasma Enhanced Rotating CVD

NM01.17.16
Predicting the Electronic and Thermal Properties of Transitional Metal Dichalogenide Heterostructure

NM01.17.17
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