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Bi-doped CH3NH3PbI3 effective masses and electronic properties research: A theoretical study using VASP

Liping Peng

Volume 10, Issue 4 , April 2019, , Pages 275-278

http://dx.doi.org/10.5185/amlett.2019.2232

Abstract
  We calculated the effective masses and electronic properties of Bi-doped CH3NH3PbI3 perovskites as a thermoelectric material using the VASP functional. The Bismuth doping concentration of 11.1%, 20%, 33.3% corresponding band gaps are 1.46. 0.75, 0.56 eV, respectively. The effective masses of carriers ...  Read More

Bi-doped CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> effective masses and electronic properties research: A theoretical study using VASP