Analytic modelling of quantum capacitance and carrier concentration for β12-borophene FET based gas sensor

On the impact of adsorbed gas molecules on the anisotropic electro-optical properties of β12-borophene

“…With this, we have a six-band tight-binding Hamiltonian, given bywhere t̃ and , respectively, refer to the hopping and on-site energy between the gas molecule and host boron atom. To find t̃ , we use 43,44 where d is the distance between molecule and borophene sheet and t̄ is the average of other hopping energies on each atom. For example, for the adsorption on {a,e} atoms, we have or on c atoms, it is .…”

“…This is easily investigated by using density functional computations. 43,44 Also, we respectively set = 1.11, 0.95, 1.75, and 1.19 (all in units of eV). 43…”