The preparation and properties of polycrystalline Bi$_2$O$_2$Se -- pitfalls and difficulties with reproducibility and charge transport limiting parameters

Abstract

Thermoelectric materials allow the direct conversion of waste heat into electricity, and novel materials are being investigated for this purpose. Recently, doped Bi$_2$O$_2$Se has shown high application potential. In this study, we discuss causes for large variation in reported transport properties of pure Bi$_2$O$_2$Se and present a preparation method that improves the reproducibility of undoped polycrystalline samples and improves their stability under thermal cycling. Key steps of this method include calcination of the Bi$_2$O$_3$ precursor, purification of the synthesized material in a temperature gradient, use of a coarse particle fraction and compaction of the powders in a Si3N4 die instead of a graphite die. The resulting polycrystalline material exhibits improved reproducibility and enhanced resistance to thermal cycling. It has room temperature electrical conductivity {\sigma}RT ~ 500 S.m-1 and Seebeck coefficient S ~ -300 $\mu$V.K$^{-1}$. These properties make it suitable as a reference material for future doping studies. The presented synthesis approach may provide a more reliable platform for investigating the intrinsic behavior and doping response of Bi$_2$O$_2$Se in thermoelectric applications.