52 Sanlihe Rd.
Datun Road, Anwai
Beijing, Xicheng District 100864
China
Chinese Academy of Sciences (CAS)
DFT calculations, Ab initio molecular simulations, Lithium metal anode, Bimetallene, Lithium deposition and diffuison
CoSe2, quantum dots, Vacancy engineering, Hollow cage, hierarchical structure, supercapacitors
Nitrate reduction reaction, ammonia synthesis, single−atom alloy, pH influence, high−throughput calculations