Panagiotis Grammatikopoulos

Polaron conductivity in α-Fe2O3 quenched by adsorbed NO2

Polaron-mediated charge transport in α–Fe 2 O 3 plays a central role in its performance as a gas-sensing material, yet the atomistic interaction between surface adsorbates and polarons remains insufficiently understood. Here, density functional theory with Hubbard-U correction (D...