A complete study of the effect of defects (including Oxygen vacancies, Nitrogen, Nitrogen+Oxygen Vacancy and Tin) on the electronic structure of Hematite (Fe2O3), including a further study on small polaron transport in pristine Hematite and Sn-doped Hematite. This work provides key insight into how these defects affect the photoconductivity of a hematite based photoanode for photoelectrochemical water splitting.
Tyler J. Smart and Yuan Ping, “Effect of Defects on the Small Polaron Formation and Transport Properties of Hematite from First-Principles Calculations”, J. Phys.: Condens. Matter 29 394006 (2017). Link to article