Research Project

Theoretical design of photoinduced phase-interface elementary processes based on computational energy conversion science


Koichi Yamashita
Koichi Yamashita


The technology which holds the key to expanding the use of solar energy is viewed from the perspective of "phase-interface photoinduced elementary processes” and we study the control and optimization of the elementary processes required by each technology based on theoretical and computational chemistry. Organic solar cells and photocatalytic reactions are taken up as energy conversion technology. Phase-interfaces are built by basic materials, such as organic polymers, transition metal oxides, III-V compound semiconductors, carbon nanotubes, and graphenes etc., and we promote the computational energy conversion science for controlling and optimizing complex factors, such as phase-interface structure, impurities doping, and structural defects.