Organic–inorganic hybrid perovskites ABI3(A = CH3NH3, NH2CHNH2; B = Sn, Pb) as potential thermoelectric materials: a density functional evaluation

Abstract

Our calculations show that, when doped by electrons, the organic–inorganic perovskite iodides ABI₃(A = CH₃NH₃, NH₂CHNH₂; B = Sn, Pb) can be a good thermoelectric material with thermoelectric efficiency comparable to that of hole-doped Bi₂Te₃.