Non-Fullerene Acceptor-Based Solar Cells: From Structural Design to Interface Charge Separation and Charge Transport.

ABSTRACT: The development of non-fullerene small molecule as electron acceptors is critical for overcoming the shortcomings of fullerene and its derivatives (such as limited absorption of light, poor morphological stability and high cost). We investigated the electronic and optical properties of the two selected promising non-fullerene acceptors (NFAs), IDIC and IDTBR, and five conjugated donor polymers using quantum-chemical method (QM). Based on the optimized structures of the studied NFAs and the polymers, the ten donor/acceptor (D/A) interfaces were constructed and investigated using QM and Marcus semi-classical model. Firstly, for the two NFAs, IDTBR displays better electron transport capability, better optical absorption ability, and much greater electron mobility than IDIC. Secondly, the conf

SUBMITTER: Wang Q 

PROVIDER: S-EPMC6418710 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature