Unraveling the dynamic behaviors of BF-based ionic liquids at the SnO/FAPbI interface using molecular dynamics simulations.

Phys Chem Chem Phys

Key Laboratory of Optoelectronic Technology & Systems (Ministry of Education), College of Optoelectronic Engineering, Chongqing University, Chongqing 400044, China.

Published: August 2023

molecular dynamics simulations are performed to unravel the complex dynamic behaviors of BF-based ionic liquids (ILs) at the SnO/FAPbI interface. Specifically, the BMIMBF IL not only eliminates the density of states induced by oxygen vacancies in SnO, but also significantly increases the iodine ion migration energy barrier in FAPbI.

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http://dx.doi.org/10.1039/d3cp02148cDOI Listing

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