Jump to main content
Jump to site search


Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells

Abstract

Quantum dots solar cells, QDSCs, are a clean and effective alternative to fossil fuels in order to reduce CO2 emissions. However, the different components that constitute the QDSCs and the difficulty of isolating experimentally their effects on the performance of the whole system slow down the development of more efficient devices. In this work, DFT calculations are combined with a bottom-up approach to 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 is addressed using ligands with different electron-donating/-withdrawing groups. The role of the linkers and their adsorption on the surface of the oxide are also examined. Finally, we propose a main indirect electron injection mechanism based on the position of the peaks of the spectra.

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 17 Feb 2017, accepted on 29 Apr 2017 and first published on 05 May 2017


Article type: Paper
DOI: 10.1039/C7CP01076A
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
  •   Request permissions

    Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells

    J. Amaya Suárez, J. J. Plata Ramos, A. Márquez and J. Fernández Sanz, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP01076A

Search articles by author