Stability and charge separation of different CH3NH3SnI3/TiO2 interface: A first-principles study
Source abstract
Abstract
Abstract Interface has an important effect on charge separation of perovskite solar cells. Using first-principles calculations, we studied several different interfaces between CH3NH3SnI3 and TiO2. The interfacial structure and electronic structure of these interfaces are thoroughly explored. We found that the SnI2/anatase (SnI2/A) system is more stable than the other three systems, because an anatase surface can make Sn I bond faster restore to the pristine value than a rutile surface, and SnI2/A system has a smaller standard deviation. The calculated plane-averaged electrostatic potential and the density of states suggest that SnI2/anatase interface has a better separation of photo-generated electron-hole pairs.
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Research context
OpenAlex topics: Perovskite Materials and Applications · Chalcogenide Semiconductor Thin Films · Quantum Dots Synthesis And Properties
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References (53)
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