Establishing nanoscopic structure-function relationships in the working electrodes of dye-sensitized solar cells
type: CreativeWork
description: Dye-sensitized solar cells are a strong contender for next-generation photovoltaic technology with niche applications as solar-powered windows. The performance of a DSSC is particularly susceptible to the dye sensitizer, which is adsorbed onto the surface of a wide-band-gap semiconductor such as TiO2, to form the working electrode. The nature by which such surfaces are sensitized stands to influence the resulting dye···TiO2 interfacial structure and thence the operational performance of the DSSC working electrode. To this end, atomic force microscopy is first used to image the nanoscopic formation of dye···TiO2 interfacial structures. Four well-known DSSC dyes (N3, N749, MK-2, SQ-2) adsorbed onto amorphous TiO2 substrates were chosen for this study. The results show that all of these dyes present some form of aggregation upon the sensitization on TiO2, whose spatial distributions reveal distinct nanoaggregate particle characteristics. This nanoparticle structural assembly persists even when these dye···TiO2 interfaces are fabricated using hundredfold diluted dye sensitization concentrations. Time-tracking scanning of the N749 dye reveals the forming progress of the nanoaggregates. Simulations and experiments were subsequently combined to conduct systematic studies on the optical and structural properties of two commercial dyes, RK-1 and SQ-2. The results reveal that the deprotonation of the cyanoacrylic acid group in RK-1 occurs upon dye adsorption onto TiO2, which induces a hypsochromic shift of its absorption band. DFT modeling also indicates the involvement of cyano groups in anchoring to TiO2 which makes the dye···TiO2 binding structure more stable. Fourier transform infra-red spectroscopy data prove that COO/CN (A2) and bridging bidentate (BB) binding modes co-exist in the RK-1···TiO2 interfacial structure. As for SQ-2, its simulation explains the distinct optical properties of this squaraine dye. Additionally, desorption experiments reveal a low dye loading of…
abstract: Dye-sensitized solar cells are a strong contender for next-generation photovoltaic technology with niche applications as solar-powered windows. The performance of a DSSC is particularly susceptible to the dye sensitizer, which is adsorbed onto the surface of a wide-band-gap semiconductor such as TiO2, to form the working electrode. The nature by which such surfaces are sensitized stands to influence the resulting dye···TiO2 interfacial structure and thence the operational performance of the DSSC working electrode. To this end, atomic force microscopy is first used to image the nanoscopic formation of dye···TiO2 interfacial structures. Four well-known DSSC dyes (N3, N749, MK-2, SQ-2) adsorbed onto amorphous TiO2 substrates were chosen for this study. The results show that all of these dyes present some form of aggregation upon the sensitization on TiO2, whose spatial distributions reveal distinct nanoaggregate particle characteristics. This nanoparticle structural assembly persists even when these dye···TiO2 interfaces are fabricated using hundredfold diluted dye sensitization concentrations. Time-tracking scanning of the N749 dye reveals the forming progress of the nanoaggregates. Simulations and experiments were subsequently combined to conduct systematic studies on the optical and structural properties of two commercial dyes, RK-1 and SQ-2. The results reveal that the deprotonation of the cyanoacrylic acid group in RK-1 occurs upon dye adsorption onto TiO2, which induces a hypsochromic shift of its absorption band. DFT modeling also indicates the involvement of cyano groups in anchoring to TiO2 which makes the dye···TiO2 binding structure more stable. Fourier transform infra-red spectroscopy data prove that COO/CN (A2) and bridging bidentate (BB) binding modes co-exist in the RK-1···TiO2 interfacial structure. As for SQ-2, its simulation explains the distinct optical properties of this squaraine dye. Additionally, desorption experiments reveal a low dye loading of…
author: Chen, Hao
language: eng
keywords: DSSC, working electrode, structure, function, imaging, modelling
license: https://apollo8-f-pro.lib.cam.ac.uk/bitstreams/7819ae33-cc7c-4ff0-93ae-7b5987c60339/download
license: https://www.rioxx.net/licenses/all-rights-reserved/
date published: 2019-12-30
date modified: 2026-07-22T22:24:01Z
provider: Cambridge University
publisher: Networked Digital Library of Theses and Dissertations
type: WebPage
source organization: University of Cambridge

PropertyValue
property ID: DOI
value: 10.17863/CAM.62243