Artículo
Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells
Autor/es | Amaya Suárez, Javier
Plata Ramos, José Javier Márquez Cruz, Antonio Marcial Fernández Sanz, Javier |
Departamento | Universidad de Sevilla. Departamento de Química Física |
Fecha de publicación | 2017 |
Fecha de depósito | 2017-06-16 |
Publicado en |
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Resumen | Because of the different components that constitute a quantum dots solar cells, QDSCs, and the difficulty of experimentally isolate the effect of each of them on the adsorption spectra of the system, we have modeled different ... Because of the different components that constitute a quantum dots solar cells, QDSCs, and the difficulty of experimentally isolate the effect of each of them on the adsorption spectra of the system, we have modeled different Cu2S QDSCs models by means of DFT. A bottom-up approach can differentiate the effect of each component in the electronic structure and absorption spectra. First, Cu2S QDs were built including a U parameter to effectively describe the localization of the electrons. The effect of the capping agents was addressed using ligands with different electron- donating/- withdrawing groups. The role of the linkers and their adsorption of the surface of the oxide were also examined. Finally, we proposed a main indirect electron injection mechanism based on the position of the peaks of the spectra. |
Agencias financiadoras | Ministerio de Economía y Competitividad (MINECO). España Junta de Andalucía |
Identificador del proyecto | info:eu-repo/grantAgreement/MINECO/CTQ2015-64669-P
P12-FQM-1595 |
Cita | Amaya Suárez, J., Plata Ramos, J.J., Márquez Cruz, .M. y Fernández Sanz, J. (2017). Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells. Physical Chemistry Chemical Physics, 19, 14580-. |
Ficheros | Tamaño | Formato | Ver | Descripción |
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Effects capping ligands.pdf | 4.052Mb | [PDF] | Ver/ | |