The frontier electronic structures of a series of organic dye molecules containing a triphenylamine moiety, a thiophene moiety and a cyanoacrylic acid moiety have been investigated by photoelectron spectroscopy (PES), X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and resonant photoelectron spectroscopy (RPES). The experimental results were compared to electronic structu...

A series of conjugated 3-hexylthiophene derivatives with a cyanoacrylic acid group has been prepared with conjugation length from one up to five thiophene units (1T-5T). The UV-vis spectra, photoluminescence spectra, electrochemical data and DFT calculations show lowering of LUMO energies and red-shift of absorption into the visible as the thiophene chain length increases. TiO2/P3HT solar cells...

BACKGROUND Novel six organic donor-π-acceptor molecules (D-π-A) used for Bulk Heterojunction organic solar cells (BHJ), based on thienopyrazine were studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) approaches, to shed light on how the π-conjugation order influence the performance of the solar cells. The electron acceptor group was 2-cyanoacrylic for all compounds, wher...

An efficient synthetic protocol to functionalize the cyanoacrylic acid anchoring group of commercially available MK-2 dye with a highly water-stable hydroxamate anchoring group is described. Extensive characterization of this hydroxamate-modified dye (MK-2HA) reveals that the modification does not affect its favorable optoelectronic properties. Dye-sensitized solar cells (DSSCs) prepared with t...

We present a first-principles DFT investigation of the adsorption geometry on the anatase (101) surface of a prototypical di-branched organic dye based on the extended tetrathiafulvalene moiety, incorporating two anchoring cyanoacrylic acid units. Reduced model systems with one and two anchoring groups have been initially studied to investigate the vibrational frequencies related to TiO2 dye ad...

OBJECTIVE The purpose of our study was to examine the coagulation status in patients with vascular anomalies who had undergone sclerotherapy or embolization. SUBJECTS AND METHODS Ours was a prospective pilot study of 29 patients who had undergone sclerotherapy or embolization of large vascular anomalies. Fibrinogen, platelet, and d-dimer levels and prothrombin time were obtained before, immed...

A comprehensive description of the complicated dynamics of excited state evolution and charge transfer at the photochemical interface in dye-sensitized solar cells is crucial to understand the mechanism of converting solar photons to clean electricity, providing an informative basis for the future development of advanced organic materials. By selecting two triarylamine-based organic donor-accep...

Based on 1-phenylpyrrolidine (PT) dye, six new metal-free organic molecules S1–S6, containing PT as donor (D) connected through different linkages (π) and cyanoacrylic acid acceptor (A), were designed studied for dye sensitised solar cells (DSSCs). In this paper, D-π-A system of S1–S6 was investigated by quantum chemical calculations to inspect the optical absorption properties photovoltaic (PV...

In this paper we sensitized two new organic days dye 1 and dye 2 based on thioindigo with phenothiazine as the electron donor group. We used acrylic acid and cyanoacrylic acid as the electron acceptor anchoring group in dye 1 and dye 2 respectively. The proposed dyes were sensitized from phenothiazine as the starting material by standard reactions and characterized by different techniques such ...