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Updated: Dec 20, 2025

Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model
Published on: May 23, 2018
Electronic and thermal properties of monolayer beryllium oxide from first principles
Chongqun Xia1, Wu Li2, Dengke Ma1
1NNU-SULI Thermal Energy Research Center (NSTER) and Center for Quantum Transport and Thermal Energy Science (CQTES), School of Physics and Technology, Nanjing Normal University, Nanjing 210023, People's Republic of China.
Abstract:
Monolayer beryllium oxide (BeO), a new graphene-like metal oxide material, has attracted tremendous interest since it was demonstrated to have high dynamic, thermal, kinetic and mechanical stabilities in recent years. This discovery enriches the catalogue of 2D materials and paves the way for the exploration of relevant properties. In this work, the electronic and thermal properties of monolayer BeO are predicted by first-principles calculations. Compared with graphene and monolayer hexagonal boron nitride (h-BN), the monolayer BeO is an insulator and its electrons are highly localized around O and Be atoms (ionic nature). More importantly, the thermal conductivity of monolayer BeO is found to be 266 Wm-1K-1 at 300 K, which is lower than that of graphene and h-BN but higher than most other 2D materials. Further spectrum analysis reveals that 75% of the thermal conductivity of monolayer BeO is contributed by phonons with a frequency from 0 to 5.4 THz. With the characteristics of wide bandgap and high thermal conductivity, monolayer BeO shows great potential for applications in electronic device packages and Li-ion batteries.
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