LAUSR

Abstract The electronic properties and NO2 adsorption behaviour on pristine, In and P substituted germanene nanosheet are studied using DFT method. The formation energy, dipole moment are reported for pristine and impurity substituted germanene nanosheet. The density of states spectrum gives the insights on the electronic properties of germanene nanosheet. The adsorption behaviour of NO2 on pristine, In and P substituted germanene nanosheet is explored in terms of adsorption energy, energy gap, Mulliken charge transfer and average energy gap variation. The favourable adsorption sites of NO2 on germanene nanosheet are studied in atomistic level. The adsorption of NO2 gas molecule on pristine germanene nanosheet is found to be more favourable than impurity substituted germanene nanosheet. The present work gives a clear insight on adsorption properties of NO2 molecules on germanene nanosheet.