Tuning the electronic heat capacity and thermal Schottky anomaly of monolayer β12-borophene via adsorbed gas molecules

We are happy to announce that Prof. Dr. Tran Cong Phong and colleagues recently published their work entitled "Tuning the electronic heat capacity and thermal Schottky anomaly of monolayer β12-borophene via adsorbed gas molecules"  on Physica E: Low-dimensional Systems and Nanostructures.

Abstract

Owing to the inherent inversion symmetry between five atoms {a,b,c,d,e} and metallic phase, β12-borophene possess fantastic physical properties, such as various electronic phase transitions in the presence of external perturbations. Here, the effect of adsorbed gas molecules (NH3, NO, NO2, and CO) on the electronic heat capacity (EHC) and thermal Schottky anomaly of β12-borophene is calculated employing the tight-binding model and the Green’s function approach. The results show that the gas-adsorbed EHC is enhanced with the dominant contribution of NO on individual {a,b,d,e} atoms, while it is NO2 on c atoms. However, EHC is suppressed when the molecule is adsorbed on the pair of boron atoms. Moreover, the enhancement of EHC is dominated by the simultaneous adsorption of NH3 on all atoms. On average, the pristine Schottky anomaly moves to the higher thermal energies upon the adsorption of gas molecules. These distinct differences originate from the generation of various new energy levels. This study provides a detailed understanding of β12-borophene response to the gas molecules for tuning field effect transistor-based gas sensors.