TY - JOUR
T1 - Ferrocene Appended Asymmetric Sensitizers with Azine Spacers with phenolic/nitro anchors for Dye-Sensitized Solar Cells
AU - Singh, Amita
AU - Kociok-Köhn, Gabriele
AU - Chauhan, Ratna
AU - Muddassir, Mohd
AU - Gosavi, Suresh W.
AU - Kumar, Abhinav
N1 - Funding Information:
Dr. Mohd. Muddassir is grateful to Researchers Supporting Project number (RSP-2021/141), King Saud University, Riyadh, Saudi Arabia, for financial assistance. Abhinav Kumar thanks Council of Scientific and Industrial Research (CSIR), New Delhi, for financial support through project number: 01(2899)/17/EMR-II.
PY - 2022/2/5
Y1 - 2022/2/5
N2 - Two extensively conjugated asymmetric ferrocene appended compounds with azine spacers, and phenolic and nitro groups as terminal groups with the following formulas Fc-CH=N-N=CH-p-C6H4-OH (Fc-OH) and Fc-CH=N-N=CH-p-C6H4-NO2 (Fc-NO2) (Fc= ferrocene) have been synthesized and characterized using micro-analyses, FTIR, 1H and 13C NMR, UV-Vis and for Fc-NO2 single crystal X-ray diffraction. The structural studies reveal that Fc-NO2 possess an extensively conjugated system where C5H4(Cp)-CH=N-N=CH-p-C6H4-NO2 is nearly planar which suggest strong electron communication from the ferrocene moiety to the p-C6H4-NO2 group via a -CH=N-N=CH- spacer. Both compounds have been used as sensitizers in titanium oxid based dye-sensitized solar cells (DSSCs) which indicate that amongst both sensitizers the Fc-OH one exhibited a better cell performance with Jsc 12.91 mA·cm−2, Voc 0.710 V, η 5.88% and incident photon to a current conversion efficiency of 53%. Electron injection in the conduction band of the titanium oxide semiconductor have been authenticated with the help of density of states calculations.
AB - Two extensively conjugated asymmetric ferrocene appended compounds with azine spacers, and phenolic and nitro groups as terminal groups with the following formulas Fc-CH=N-N=CH-p-C6H4-OH (Fc-OH) and Fc-CH=N-N=CH-p-C6H4-NO2 (Fc-NO2) (Fc= ferrocene) have been synthesized and characterized using micro-analyses, FTIR, 1H and 13C NMR, UV-Vis and for Fc-NO2 single crystal X-ray diffraction. The structural studies reveal that Fc-NO2 possess an extensively conjugated system where C5H4(Cp)-CH=N-N=CH-p-C6H4-NO2 is nearly planar which suggest strong electron communication from the ferrocene moiety to the p-C6H4-NO2 group via a -CH=N-N=CH- spacer. Both compounds have been used as sensitizers in titanium oxid based dye-sensitized solar cells (DSSCs) which indicate that amongst both sensitizers the Fc-OH one exhibited a better cell performance with Jsc 12.91 mA·cm−2, Voc 0.710 V, η 5.88% and incident photon to a current conversion efficiency of 53%. Electron injection in the conduction band of the titanium oxide semiconductor have been authenticated with the help of density of states calculations.
KW - Azines
KW - Density of states
KW - DSSC
KW - Electron injection
KW - Ferrocene
UR - http://www.scopus.com/inward/record.url?scp=85117220270&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2021.131630
DO - 10.1016/j.molstruc.2021.131630
M3 - Article
AN - SCOPUS:85117220270
SN - 0022-2860
VL - 1249
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
M1 - 131630
ER -