Haikuo Zhang, Zhilong Wang, Junfei Cai, Sicheng Wu, Jinjin Li
The shuttle effect has been a major obstacle to the development of lithium-sulfur batteries. The discovery of new host materials is essential, but lengthy and complex experimental studies are inefficient for the identification of potential host materials. We proposed a machine learning method for the rapid discovery of an AB2 -type sulfur host material to suppress the shuttle effect using the 2DMatPedia database, discovering 14 new structures (PdN2 , TaS2 , PtN2 , TaSe2 , AgCl2 , NbSe2 , TaTe2 , AgF2 , NiN2 , AuS2 , TmI2 , NbTe2 , NiBi2 , and AuBr2 ) from 1320 AB2 -type compounds...
August 19, 2021: ACS Applied Materials & Interfaces