|Title:||Effect of Li+ doping on photoelectric properties of double perovskite Cs2SnI6: first principles calculation and experimental investigation|
Golosov, D. A.
Zavadski, S. M.
Melnikov, S. N.
|Keywords:||публикации ученых;calculation;perovskite;ultrasonic spraying|
|Publisher:||MDPI (Multidisciplinary Digital Publishing Institute)|
|Citation:||Effect of Li+ doping on photoelectric properties of double perovskite Cs2SnI6: first principles calculation and experimental investigation / Jin Z [et. al.] // Nanomaterials. – 2022. – Vol. 12, № 13. – P. 1-11. – DOI : https://doi.org/10.3390/nano12132279.|
|Abstract:||Double perovskite Cs2SnI6 and its doping products (with SnI2, SnF2 or organic lithium salts added) have been utilized as p-type hole transport materials for perovskite and dye-sensitized solar cells in many pieces of research, where the mechanism for producing p-type Cs2SnI6 is rarely reported. In this paper, the mechanism of forming p-type Li+ doped Cs2SnI6 was revealed by first-principles simulation. The simulation results show that Li+ entered the Cs2SnI6 lattice by interstitial doping to form strong interaction between Li+ and I−, resulting in the splitting of the α spin-orbital of I–p at the top of the valence band, with the intermediate energy levels created and the absorption edge redshifted. The experimental results confirmed that Li+ doping neither changed the crystal phase of Cs2SnI6, nor introduced impurities. The Hall effect test results of Li+ doped Cs2SnI6 thin film samples showed that Li+ doping transformed Cs2SnI6 into a p-type semiconductor, and substantially promoted its carrier mobility (356.6 cm2/Vs), making it an ideal hole transport material.|
|Appears in Collections:||Публикации в зарубежных изданиях|
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