Abstract
In this work, we investigate the physical and electronic properties of β12 - borophene FET-based gas sensor using a theoretical quantum capacitance model based on tight-binding approach. We study the impact of adsorbed NH3, NO, NO2 and CO gas molecule on its density of states, carrier concentration, quantum capacitance and I–V characteristics. We found a remarkable variation in the energy band structure and the density of states (DOS) of the β12 - borophene in the presence of the adsorbed gas molecule. The appearance of non-identical Van-Hove singularities in the DOS in the presence of adsorbed gas molecules strongly indicates the high sensitivity of β12 - borophene. We found a significant increase in the carrier concentration for NH3 gas while it decreases for all other gases. Moreover, a drastic change in quantum capacitance and current–voltage relation is also observed in adsorbed gases. The different properties of the given gas molecules are compared with the pristine borophene and found to exhibit distinct wrinkles in each case, thereby indicating the strong selectivity of our proposed gas sensor. Though β12 - borophene is found to be highly sensitive for all studied gases, the NO gas is found to be most sensitive compared to the others.
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