Unsymmetrical squaraine dye containing dithieno[3,2-b:2′,3′-d]pyrrole as a π-spacer: A potential photosensitizer for dye-sensitized solar cells

Molecular engineering of quinoxaline dyes toward more efficient sensitizers for dye-sensitized solar cells

“…It is known that the adsorption of a dye molecule on TiO 2 surface can induce a shi of the conduction band prole of TiO 2 (DCB), and this effect can be divided into two aspects, namely, charge transfer (CT) and electrostatic (EL) potential. 81 In the present work, the investigation of electrostatic effect was simplied by calculating the dipole moment of the free dyes at the geometries of dyes adsorbed onto TiO 2 surface (m normal ), 82 while the exploration of CT at dye/TiO 2 interface can be qualitatively or semi-quantitatively realized through the analysis of the difference of charge distribution in the semiconductor between the ground and the rst excited state of dye-TiO 2 complex. 68,79 A larger m normal pointing outward the semiconductor surface and a more charge distribution in TiO 2 will lead to a larger DCB.…”

How does the silicon element perform in JD-dyes: a theoretical investigation

“…22 Keeping this in mind, the ESOP and GSOP of the studied dyes were computed using the previously reported procedure which has been successfully applied to both Ru(II) polypyridyl and several organic dyes. 31,47 The obtained ESOP, GSOP, and driving forces for electron injection (DG inj ) and dye regeneration (DG reg ) are summarized in Table 3. One can nd in Table 3 that the ESOP values for all investigated dyes are obviously higher in energy than the CB edge of titanium, thus suggesting thermodynamically favorable injection of the rst excited electron from the adsorbate to the substrate (DG inj of the investigated dyes is in the range of 1.1-1.9 eV).…”

Metal-Embedded Graphene as Potential Counter Electrode for Dye-Sensitized Solar Cell

“…Quite recently, the energy conversion efficiency of DSSC has reached up to 13%, which is still much lower than the theoretical limit of 31% . In the past two decades of research, great efforts have been made to optimize various chemical components of the DSSC to achieve higher efficiency, including the design of high-efficiency sensitizer, − semiconductor, , redox mediator, and counter electrode. − One important aspect is to explore the chemically stable material of the counter electrode with a high electrocatalytic activity for the reduction of triiodide. In the investigated counter electrode (CE) materials, platinum is superior because of its high conductivity, electrocatalytic activity, and stability. − However, Pt is an expensive element with a low abundance, which restricts its large-scale application in a DSSC.…”