Single-atom catalysts (SACs) for the hydrogen evolution reaction (HER) is an efficient electrochemical pathway to produce green production. However, development of HER process hampered by lack high-performance electrocatalysts. In this work, we proposed a new π-d conjugated structure Ti 3 B N S 6 monolayer as single-atom using density functional theory (DFT) calculations. The calculated results...

Topological states of matter and their corresponding properties are classical research topics in condensed physics. Quite recently, the application materials that feature these has been extended to field electrochemical catalysis become an emerging topic is receiving increasing interest. In particular, several recent experimental studies performed on topological semimetals have already revealed...