Thermal conductivity of hexagonal BC2P – a first-principles study

Author:

Muthaiah Rajmohan1234ORCID,Tarannum Fatema1234ORCID,Annam Roshan Sameer1234,Nayal Avinash Singh1234,Danayat Swapneel1234,Garg Jivtesh1234ORCID

Affiliation:

1. School of Aerospace and Mechanical Engineering

2. University of Oklahoma

3. Norman

4. USA

Abstract

In this work, we report a high thermal conductivity (k) of 162 W m−1 K−1 and 52 W m−1 K−1 at room temperature, along the directions perpendicular and parallel to the c-axis, respectively, of bulk hexagonal BC2P (h-BC2P), using first-principles calculations.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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