Proceedings of 6th International Conference on Hybrid and Organic Photovoltaics (HOPV14)
Publication date: 1st March 2014
Abstract: We performed classical molecular dynamics simulations of dye-sensitizers adsorbed on anatase TiO2 slab including solvent and electrolyte. An atomistic picture of the coverage dependent packing of the dyes, the effectiveness of the hydrophobic alkyl chains as blocking layer and the solvent/electrolyte accessibility is obtained from molecular dynamics simulations for both porphyrin-based and ruthenium-based dyes (YD2-O-C8 ∗ and Z907 ∗∗ respectively). Classical molecular dynamics (MD) simulations were performed for different dye coverages and various packing modes and orientations. The TiO2 surface was described by Bandura Kubichi ∗∗∗ force field, whereas for the YD2-o-C8 and Z907 dyes, force fields were developed following the AMBER protocol ∗∗∗∗. The effect of coverage on the overall packing was then studied at different densities. The Accessibility of the electrolyte to the surface was also investigated to verify the effect of introducing bulky lateral groups to the dye to lower recombination rates.
∗ A. Yella et al., Porphyrin-sensitized solar cells with cobalt (II/III)-based redox electrolyte exceed 12 percent efficiency. Science 334 (2011), 629. ∗∗ C. Klein et al., Amphiphilic ruthenium sensitizers and their applications in dye-sensitized solar cells Inorganic Chemistry, 43 (2004), 42164226 ∗∗∗ Bandura, A. V., Kubicki, J. D. Derivation of Force Field Parameters for TiO2H2O Systems from ab Initio Calculations J. Phys. Chem. B 2003, 107, 11072 11081 ∗∗∗∗ Wang, Junmei; Wolf, Romain M.; Caldwell, James W.; Kollman, Peter A.; Case, David A. Journal of Computational Chemistry , 25 (2004), 1157-1174
nanoGe is a prestigious brand of successful science conferences that are developed along the year in different areas of the world since 2009. Our worldwide conferences cover cutting-edge materials topics like perovskite solar cells, photovoltaics, optoelectronics, solar fuel conversion, surface science, catalysis and two-dimensional materials, among many others.
Previously nanoGe Spring Meeting (NSM) and nanoGe Fall Meeting (NFM), MATSUS is a multiple symposia conference focused on a broad set of topics of advanced materials preparation, their fundamental properties, and their applications, in fields such as renewable energy, photovoltaics, lighting, semiconductor quantum dots, 2-D materials synthesis, charge carriers dynamics, microscopy and spectroscopy semiconductors fundamentals, etc.
International Conference on Hybrid and Organic Photovoltaics
International Conference on Hybrid and Organic Photovoltaics (HOPV) is celebrated yearly in May. The main topics are the development, function and modeling of materials and devices for hybrid and organic solar cells. The field is now dominated by perovskite solar cells but also other hybrid technologies, as organic solar cells, quantum dot solar cells, and dye-sensitized solar cells and their integration into devices for photoelectrochemical solar fuel production.
Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics
The main topics of the Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics (IPEROP) are discussed every year in Asia-Pacific for gathering the recent advances in the fields of material preparation, modeling and fabrication of perovskite and hybrid and organic materials. Photovoltaic devices are analyzed from fundamental physics and materials properties to a broad set of applications. The conference also covers the developments of perovskite optoelectronics, including light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.
The International Conference on Perovskite Thin Film Photovoltaics Perovskite Photonics and Optoelectronics (NIPHO) is the best place to hear the latest developments in perovskite solar cells as well as on recent advances in the fields of perovskite light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.