S-P ORBITAL HYBIRDIZION: A STRATEGY FOR EFFICIENT PHOTOCATALYSIS WITH HIGH CARRIER MOBILITY

A narrow band gap, effective separation of photoexcited charge carriers, and proper band-edge positions, which depend on the band structure of the photocatalyst,are crucial for solar-energy conversion efficiency. Carrier mobility of semiconductors is assosicated with their effective mass, which is intrinsicly decided by the dispersion of energy band. Under the guidance of this principle, electron structures are desgined for novel photocatalytic material discovery, whereby the S-P orbital hybridyzation (efficient coorperation between s and p orbitals) to dispersing the energy band and achieving small effective mass of charge carriers in crystalline materials. Theories related to S-P orbital hybridization are sumarized and strategies for apllications are promoted, which will enable it utilized in advanced performance semoconductors. Effective cooperation of s and p orbital is required and strong S-P orbital hybridyzation should be pronounced in materials composed of elements with rich s and p electrons, close packed crystal structure and large szie of atoms.