Accelerating the discovery of high-performance donor/acceptor pairs in photovoltaic materials via machine learning and density functional theory

Accelerating the discovery of high-performance donor/acceptor pairs in photovoltaic materials via machine learning and density functional theory

The gigantically unexplored chemical space for the combinations of donor and acceptor poses a mammoth challenge in enhancing power conversion efficiency. Herein, a strategy integrating machine learning and density functional theory was proposed to assist the rational screening of prominent donor/acc...

Full description

Bibliographic Details
Main Authors: Xiujuan Liu, Yueyue Shao, Tian Lu, Dongping Chang, Minjie Li, Wencong Lu
Format: Article
Language:English
Published: Elsevier 2022-04-01
Series:Materials & Design
Subjects:
Machine learning
Organic Solar Cells
Shapley Additive exPlanations
Density Functional Theory
Donor/Acceptor interface
Online Access:http://www.sciencedirect.com/science/article/pii/S0264127522001824

Internet

http://www.sciencedirect.com/science/article/pii/S0264127522001824

Similar Items