Si@SbN: A promising solar photocatalyst for the reduction of NO

Si@SbN, a highly promising visible-light photocatalyst for the NO reduction reaction (NORR), was studied by performing first-principles calculations. A novel design concept of the Si electron configuration applied to metal-free active sites has been explored. This Si-altered SbN enhances chemical NORR activity without taking into account complicated reaction mechanisms, facilitating the development of catalysts.