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First-Principles Investigation on Quantum Dot Photoelectric Properties to Enhance the Photoelectrochemical Solar Cell Performance 第一原理計算量子點光電性質提升光電化學太陽電池效能研究. Department of Power Mechanical Engineering, National Tsing Hua University
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First-Principles Investigation on Quantum Dot Photoelectric Properties to Enhance the Photoelectrochemical Solar Cell Performance 第一原理計算量子點光電性質提升光電化學太陽電池效能研究 Department of Power Mechanical Engineering, National Tsing Hua University Nian-Kuei Tsou (鄒年奎) (Research student), Che-Wun Hong (洪哲文) (Professor) • Objectives • To investigate the optimal sunlight absorption by adjusting the quantum dot size to enhance the solar cell performance. • To find out the suitable bond mode between quantum dots and the TiO2 electrode to make electron injection into TiO2 easier and prevent recombination. • Solvent Effect • H2O Absorbed on TiO2 • (CdSe)n Clustersand • Molecular Orbitals • (CdSe)n Absorbed on TiO2 • Energy Gap-Experiment • Quantum Dot Sensitized Solar Cell and Electron Recombination Mechanism • (CdSe)n Energy Gap and Level • TiO2 Surface Unit Cell • Time Dependent Kohn-Sham Equation