Electronic structure and nonlinear optical properties of organic photovoltaic systems with potential applications on solar cell devices: a DFT approach

• Published in: Theoretical chemistry accounts Vol. 137; no. 6; pp. 1 - 15
• Main Authors: Guillén-López, Alfredo, Delesma, Cornelio, Amador-Bedolla, Carlos, Robles, Miguel, Muñiz, Jesús
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01.06.2018; Springer Nature B.V
• Subjects: Absorption spectra; Atomic/Molecular Structure and Spectra; Chemistry; Chemistry and Materials Science; Crystallization; Electronic structure; Inorganic Chemistry; Molecular chains; Nonlinear optics; Optical properties; Organic Chemistry; Photovoltaic cells; Physical Chemistry; Regular Article; Solar cells; Theoretical and Computational Chemistry; Time dependence; Organic photovoltaic materials; Density functional theory; Nonlinear optical properties; Renewable energy
• ISSN: 1432-881X; 1432-2234
• DOI: 10.1007/s00214-018-2267-3

The use of eco-friendly materials for the environment has been addressed as a critical issue in the development of systems for renewable energy applications. In this regard, the investigation of organic photovoltaic (OPV) molecules for the implementation in solar cells has become a subject of intens...