Theoretical prediction of layered boron-rich ZnB12O14(OH)10 with higher carrier separation and strong oxidation potential for photocatalysis

Covalent functionalization of germanene employing computational simulations

“…For Se-50%, it can be lower effective masses for both electrons and holes, while for O-50% and S-50%, the carrier recombination is relatively most difficult due to the considerable differences between the and , which is promising for optical applications. 65–67…”