Issue 3, 2023

High temperature phases of borophene: borophene glass and liquid

Abstract

Borophene is a family of two-dimensional (2D) boron materials containing many isomers with different hole concentrations and distributions in a triangular lattice. Although it has been widely studied theoretically and some have been synthesized experimentally, their thermodynamic properties are still unexplored. Based on density functional theory (DFT), we developed an accurate potential for the kinetic Monte Carlo (kMC) simulations of borophene. Through extensive kMC simulations, new phases were discovered, such as the glass state of borophene, liquid borophene and borophene with large holes. A phase diagram of borophene is constructed to guide future experiments on borophene materials at high temperature.

Graphical abstract: High temperature phases of borophene: borophene glass and liquid

Supplementary files

Article information

Article type
Communication
Submitted
04 ное 2022
Accepted
03 яну 2023
First published
11 яну 2023

Nanoscale Horiz., 2023,8, 353-360

High temperature phases of borophene: borophene glass and liquid

Y. Park, Y. Wang, V. Gladkikh, D. Hedman, X. Kong and F. Ding, Nanoscale Horiz., 2023, 8, 353 DOI: 10.1039/D2NH00518B

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