Bulletin of ANPA

Abstract submitted to ANPA Conference July 14–16, 2023

Volume 5, Number 1

Condensed Matter Physics and Material Science

Abstract ID: ANPA2023-N00066

Abstract:

ANPA2023-N00066: Upgraded stability and machinability in penta-BCN by Fluorination

Authors:

• Shambhu Bhandari Sharma; University College London

• Santosh KC; Chemical and Materials Engineering, San Jose State University, San Jose, CA 95112, USA

The first ternary pentagonal monolayer, penta-BCN, is theoretically predicted to be demonstrating extraordinary applicabilities in mechanical, optoelectronic, and energy storage devices. Nevertheless, there is still an open question of whether or not it remains stable in the pristine state. Using the state-of-the-art first principle density functional theory calculation we demonstrate that the fluorination in penta-BCN not only makes it chemically stable but also fixes the dynamical instability by reducing the mechanical hardness. We trust, these enhancements are critcally important for the experimental synthesis and deployment of penta-BCN.

To cite this abstract, use the following reference: https://anpaglobal.org/conference/2023/ANPA2023-N00066