作者: Peter J. Holliman , Moneer Mohsen , Arthur Connell , Christopher P. Kershaw , Diana Meza-Rojas
DOI: 10.3390/EN13184637
关键词: Triphenylamine 、 Chemistry 、 Absorption spectroscopy 、 Time-dependent density functional theory 、 Density functional theory 、 Linker 、 Dyeing 、 Molecule 、 Photochemistry 、 Dye-sensitized solar cell
摘要: Most organic dyes synthesized for dye-sensitized solar cells (DSC) use a single linker group to bind the metal oxide photo-anode. Here we describe synthesis and testing of two new triphenylamine containing either carboxylic acids 5-[2-(4-diphenylamino-phenyl)-vinyl]-isophthalic acid (10) or cyanoacrylic (2Z, 2′Z)-3, 3′-(5-((E)-4-(diphenylamino) styryl)-1, 3-phenylene) bis (2-cyanoacrylic acid) (8) as groups. Full characterization data are reported these their synthetic intermediates. DSC devices have been prepared from by passive fast dyeing also tested in co-sensitized leading PCE (η = 5.4%) double cyanoacrylate dye with D149. The dye:TiO2 surface interactions excitations interpreted using three modelling methods: density functional theory (at 0 K); molecular dynamics 298 time dependent theory. results show preferred orientation both on an anatase (1 1) TiO2 be horizontal, simulated experimental absorption spectra molecules indicate red shifted band compared (10). This is line broader light harvesting Jsc