Theoretical optical absorption and electron energy loss spectroscopy using LCAO-TDDFT-K-Ω of chlorophyll and carbon nanotubes

The development of more efficient, environmentally friendly, and inexpensive organic photo- voltaics (OPVs) is a fundamental challenge in nanotechnology. One promising way to address this problem is the computational design of next generation OPVs. Understanding the excita- tion processes undergone...

• Autor principal: Preciado Rivas, María Rosa (author)
• Formato: bachelorThesis
• Idioma: eng
• Publicado em: 2019
• Assuntos: Density functional theory; LCAO-TDDFT-k-ω code; Optical absorption spectra; Chlorophyll; Single-walled carbon nanotubes; OPV; Teoría del funcional de la densidad; Espectros de absorción óptica; Clorofila; Nanotubos de carbono de pared simple; Sistemas fotovoltaicos orgánicos
• Acesso em linha: http://repositorio.yachaytech.edu.ec/handle/123456789/85