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Zurück zum Zitat Duncan, W.R., Prezhdo, O.V.: Theoretical studies of photoinduced electron transfer in dye-sensitized TiO2. Annu. Rev. Phys. Chem. 58, 143–184 (2007)CrossRef Duncan, W.R., Prezhdo, O.V.: Theoretical studies of photoinduced electron transfer in dye-sensitized TiO₂. Annu. Rev. Phys. Chem. 58, 143–184 (2007)CrossRef

Zurück zum Zitat Hagfeldt, A., Boschloo, G., Sun, L., Kloo, L., Pettersson, H.: Dye-sensitized solar cells. Chem. Rev. 110, 6595–6663 (2010)CrossRef Hagfeldt, A., Boschloo, G., Sun, L., Kloo, L., Pettersson, H.: Dye-sensitized solar cells. Chem. Rev. 110, 6595–6663 (2010)CrossRef

Zurück zum Zitat Lee, M.J., Balanay, M.P., Kim, D.H.: Molecular design of distorted push–pull porphyrins for dye-sensitized solar cells. Theor. Chem. Acc. 131, 1269–1280 (2012)CrossRef Lee, M.J., Balanay, M.P., Kim, D.H.: Molecular design of distorted push–pull porphyrins for dye-sensitized solar cells. Theor. Chem. Acc. 131, 1269–1280 (2012)CrossRef

Zurück zum Zitat Irfan, A., Al-sehemi, A.G.: Quantum chemical study in the direction to design efficient donor-bridge-acceptor triphenylamine sensitizers with improved electron injection. J. Mol. Model. 18, 4893–4900 (2012)CrossRef Irfan, A., Al-sehemi, A.G.: Quantum chemical study in the direction to design efficient donor-bridge-acceptor triphenylamine sensitizers with improved electron injection. J. Mol. Model. 18, 4893–4900 (2012)CrossRef

Zurück zum Zitat Zhang, C.R., Liu, L., Zhe, J.W., JinN, Z., Yuan, L.H., Chen, Y.H., Wei, Z.Q., Wu, Y.Z., Liu, Z.J., Chen, H.S.: Comparative study on electronic structures and optical properties of indoline and triphenylamine dye sensitizers for solar cells. J. Mol. Model. 19, 1553–1563 (2013)CrossRef Zhang, C.R., Liu, L., Zhe, J.W., JinN, Z., Yuan, L.H., Chen, Y.H., Wei, Z.Q., Wu, Y.Z., Liu, Z.J., Chen, H.S.: Comparative study on electronic structures and optical properties of indoline and triphenylamine dye sensitizers for solar cells. J. Mol. Model. 19, 1553–1563 (2013)CrossRef

Zurück zum Zitat Fan, W., Deng, W.: Incorporation of thiadiazole derivatives as π-spacer to construct efficient metal-free organic dye sensitizers for dye-sensitized solar cells: a theoretical study. Commun. Comput. Chem. 1, 152–170 (2013)CrossRef Fan, W., Deng, W.: Incorporation of thiadiazole derivatives as π-spacer to construct efficient metal-free organic dye sensitizers for dye-sensitized solar cells: a theoretical study. Commun. Comput. Chem. 1, 152–170 (2013)CrossRef

Zurück zum Zitat El-Shishtawy, R.M., Asiri, A.M., Aziz, S.G., Elroby, S.A.K.: Molecular design of donor–acceptor dyes for efficient dye-sensitized solar cells I: a DFT study. J. Mol. Model. 20, 2241–2249 (2014)CrossRef El-Shishtawy, R.M., Asiri, A.M., Aziz, S.G., Elroby, S.A.K.: Molecular design of donor–acceptor dyes for efficient dye-sensitized solar cells I: a DFT study. J. Mol. Model. 20, 2241–2249 (2014)CrossRef

Zurück zum Zitat Zhang, L., Cole, J.M.: Anchoring groups for dye sensitized solar cells. ACS Appl. Mater. Interfaces 7, 3427–3455 (2015)CrossRef Zhang, L., Cole, J.M.: Anchoring groups for dye sensitized solar cells. ACS Appl. Mater. Interfaces 7, 3427–3455 (2015)CrossRef

Zurück zum Zitat Megala, M., Rajkumar, B.J.M.: Theoretical study of anthoxanthin dyes for dye sensitized solar cells (DSSCs). J. Comput. Electron. 15, 557–568 (2016)CrossRef Megala, M., Rajkumar, B.J.M.: Theoretical study of anthoxanthin dyes for dye sensitized solar cells (DSSCs). J. Comput. Electron. 15, 557–568 (2016)CrossRef

Zurück zum Zitat Sonmezoglu, S., Akyurek, C., Akin, S.: High efficiency dye sensitized solar cells using ferrocene based electrolytes and natural photosensitizers. J. Phys. D Appl. Phys. 45, 1–7 (2012)CrossRef Sonmezoglu, S., Akyurek, C., Akin, S.: High efficiency dye sensitized solar cells using ferrocene based electrolytes and natural photosensitizers. J. Phys. D Appl. Phys. 45, 1–7 (2012)CrossRef

Zurück zum Zitat Cakar, S., Ozacar, M.: The effect of iron complexes of quercetin on dye-sensitized solar cell efficiency. J. Photochem. Photobiol. A 346, 512–522 (2017)CrossRef Cakar, S., Ozacar, M.: The effect of iron complexes of quercetin on dye-sensitized solar cell efficiency. J. Photochem. Photobiol. A 346, 512–522 (2017)CrossRef

Zurück zum Zitat Megala, M., Rajkumar, B.J.M.: Molecular design of vinyl-functionalized quercetin dyes with different acceptors for dye-sensitized solar cells: theoretical investigation. J. Comput. Electron. (2018). https://doi.org/10.1007/s10825-018-1195-8 CrossRef Megala, M., Rajkumar, B.J.M.: Molecular design of vinyl-functionalized quercetin dyes with different acceptors for dye-sensitized solar cells: theoretical investigation. J. Comput. Electron. (2018). https://​doi.​org/​10.​1007/​s10825-018-1195-8 CrossRef

Zurück zum Zitat Galappaththi, K., Ekanayake, P., Petra, M.I.: A rational design of high efficient and low cost dye sensitizer with exceptional absorptions: computational study of cyanidin based organic sensitizer. Sol. Energy 161, 83–89 (2018)CrossRef Galappaththi, K., Ekanayake, P., Petra, M.I.: A rational design of high efficient and low cost dye sensitizer with exceptional absorptions: computational study of cyanidin based organic sensitizer. Sol. Energy 161, 83–89 (2018)CrossRef

Zurück zum Zitat Kim, S.H., Kim, H.W., Sakong, C., Namgoong, J., Park, S.W., Ko, M.J., Lee, C.H., Lee, W.I., Kim, J.P.: Effect of five-membered heteroaromatic linkers to the performance of phenothiazine-based dye-sensitized solar cells. Org. Lett. 13, 5784–5787 (2011)CrossRef Kim, S.H., Kim, H.W., Sakong, C., Namgoong, J., Park, S.W., Ko, M.J., Lee, C.H., Lee, W.I., Kim, J.P.: Effect of five-membered heteroaromatic linkers to the performance of phenothiazine-based dye-sensitized solar cells. Org. Lett. 13, 5784–5787 (2011)CrossRef

Zurück zum Zitat Kim, B.H., Freeman, H.S.: Structure-photovoltaic performance relationships for DSSC sensitizers having heterocyclic and benzene spacers. J. Mater. Chem. 22, 20403–20409 (2012)CrossRef Kim, B.H., Freeman, H.S.: Structure-photovoltaic performance relationships for DSSC sensitizers having heterocyclic and benzene spacers. J. Mater. Chem. 22, 20403–20409 (2012)CrossRef

Zurück zum Zitat Liu, Z.: Theoretical studies of natural pigments relevant to dye-sensitized solar cells. J. Mol. Struct. (THOECHEM) 862, 44–48 (2008)CrossRef Liu, Z.: Theoretical studies of natural pigments relevant to dye-sensitized solar cells. J. Mol. Struct. (THOECHEM) 862, 44–48 (2008)CrossRef

Zurück zum Zitat Armas, R., Miguel, M., Ovideo, J., Sanz, J.F.: Coumarin derivatives for dye sensitized solar cells: a TD-DFT study. Phys. Chem. Chem. Phys. 14, 225–233 (2012)CrossRef Armas, R., Miguel, M., Ovideo, J., Sanz, J.F.: Coumarin derivatives for dye sensitized solar cells: a TD-DFT study. Phys. Chem. Chem. Phys. 14, 225–233 (2012)CrossRef

Zurück zum Zitat Lopez, J.B., Gonzalez, J.C., HolguinN, F., Sanchez, J.A., Mitnik, D.G.: Density functional theory (DFT) study of triphenylamine-based dyes for their use as sensitizers in molecular photovoltaics. Int. J. Mol. Sci. 13, 4418–4432 (2012)CrossRef Lopez, J.B., Gonzalez, J.C., HolguinN, F., Sanchez, J.A., Mitnik, D.G.: Density functional theory (DFT) study of triphenylamine-based dyes for their use as sensitizers in molecular photovoltaics. Int. J. Mol. Sci. 13, 4418–4432 (2012)CrossRef

Zurück zum Zitat Abdullah, M.I., Janjua, M.R.S.A., Mahmood, A., Ali, S., Ali, M.: Quantum chemical designing of efficient sensitizers for dye sensitized solar cells. Bull. Korean Chem. Soc. 34, 2093–2098 (2013)CrossRef Abdullah, M.I., Janjua, M.R.S.A., Mahmood, A., Ali, S., Ali, M.: Quantum chemical designing of efficient sensitizers for dye sensitized solar cells. Bull. Korean Chem. Soc. 34, 2093–2098 (2013)CrossRef

Zurück zum Zitat Opera, C.I., Panait, P., Cimpoesu, F., Ferbinteanu, M., Girtu, M.A.: Density functional theory (DFT) study of coumarin-based dyes adsorbed on TiO2 nanoclusters—applications to dye-sensitized solar cells. Materials 6, 2372–2392 (2013)CrossRef Opera, C.I., Panait, P., Cimpoesu, F., Ferbinteanu, M., Girtu, M.A.: Density functional theory (DFT) study of coumarin-based dyes adsorbed on TiO₂ nanoclusters—applications to dye-sensitized solar cells. Materials 6, 2372–2392 (2013)CrossRef

Zurück zum Zitat Aroon, W.S., Laopha, S., Chaiamornnugool, P., Tontapha, S., Saekow, S., Amornkitbamrung, V.: DFT and TDDFT study on the electronic structure and photoelectrochemical properties of dyes derived from cochineal and lac insects as photosensitizer for dye-sensitized solar cells. J. Mol. Model. 19, 1407–1415 (2013)CrossRef Aroon, W.S., Laopha, S., Chaiamornnugool, P., Tontapha, S., Saekow, S., Amornkitbamrung, V.: DFT and TDDFT study on the electronic structure and photoelectrochemical properties of dyes derived from cochineal and lac insects as photosensitizer for dye-sensitized solar cells. J. Mol. Model. 19, 1407–1415 (2013)CrossRef

Zurück zum Zitat Mohammadi, N., Wang, F.: First-principles study of Carbz-PAHTDDFT dye sensitizer and two Carbz-derived dyes for dye sensitized solar cells. J. Mol. Model. 20, 2177–2185 (2014)CrossRef Mohammadi, N., Wang, F.: First-principles study of Carbz-PAHTDDFT dye sensitizer and two Carbz-derived dyes for dye sensitized solar cells. J. Mol. Model. 20, 2177–2185 (2014)CrossRef

Zurück zum Zitat Huei-Tang, W., Fadlilatul, T., Santhanamoorthi, N., Jyh-Chiag, J.: Theoretical studies on effective metal-to-ligand charge transfer characteristics of novel ruthenium dyes for dye sensitized solar cells. J. Comput. Aided Mol. Des. 28, 565–575 (2014)CrossRef Huei-Tang, W., Fadlilatul, T., Santhanamoorthi, N., Jyh-Chiag, J.: Theoretical studies on effective metal-to-ligand charge transfer characteristics of novel ruthenium dyes for dye sensitized solar cells. J. Comput. Aided Mol. Des. 28, 565–575 (2014)CrossRef

Zurück zum Zitat Martsinovich, N., Troisi, A.: Theoretical studies of dye-sensitised solar cells: from electronic structure to elementary processes. Energy Environ. Sci. 4, 4473–4495 (2011)CrossRef Martsinovich, N., Troisi, A.: Theoretical studies of dye-sensitised solar cells: from electronic structure to elementary processes. Energy Environ. Sci. 4, 4473–4495 (2011)CrossRef

Zurück zum Zitat Scott, F., Andrew, M., Tell, T.: Predicting the UV–vis spectra of oxazine dyes. Beilstein J. Org. Chem. 7, 432–441 (2011)CrossRef Scott, F., Andrew, M., Tell, T.: Predicting the UV–vis spectra of oxazine dyes. Beilstein J. Org. Chem. 7, 432–441 (2011)CrossRef

Zurück zum Zitat Pastore, M., Angelis, F.D.: Aggregation of organic dyes on TiO2 in dye sensitized solar cells models: an ab initio investigation. ACS Nano 4, 556–562 (2009)CrossRef Pastore, M., Angelis, F.D.: Aggregation of organic dyes on TiO₂ in dye sensitized solar cells models: an ab initio investigation. ACS Nano 4, 556–562 (2009)CrossRef

Zurück zum Zitat Preat, J., Michaux, C., Jacquemin, D., Perpete, E.A.: Enhanced efficiency of organic dye-sensitized solar cells: triphenylamine derivatives. J. Phys. Chem. C 113, 16821–16833 (2009)CrossRef Preat, J., Michaux, C., Jacquemin, D., Perpete, E.A.: Enhanced efficiency of organic dye-sensitized solar cells: triphenylamine derivatives. J. Phys. Chem. C 113, 16821–16833 (2009)CrossRef

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Zurück zum Zitat Ruikui, C., Xichuan, Y., Haining, T., Licheng, S.: Tetrahydroquinoline dyes with different spacers for organic dye-sensitized solar cells. J. Photochem. 189, 295–300 (2007) Ruikui, C., Xichuan, Y., Haining, T., Licheng, S.: Tetrahydroquinoline dyes with different spacers for organic dye-sensitized solar cells. J. Photochem. 189, 295–300 (2007)

Zurück zum Zitat Zhang, X.H., Wang, L.Y., Zhai, G.H., Wen, Z.Y., Zhang, Z.X.: The absorption, emission spectra as well as ground and excited states calculations of some dimethine cyanine dyes. J. Mol. Struct. THEOCHEM 906, 50–55 (2009)CrossRef Zhang, X.H., Wang, L.Y., Zhai, G.H., Wen, Z.Y., Zhang, Z.X.: The absorption, emission spectra as well as ground and excited states calculations of some dimethine cyanine dyes. J. Mol. Struct. THEOCHEM 906, 50–55 (2009)CrossRef

Zurück zum Zitat Ham, H.W., Kim, Y.S.: Theoretical study of indoline dyes for dye sensitized solar cells. Thin Solid Films 518, 6558–6563 (2010)CrossRef Ham, H.W., Kim, Y.S.: Theoretical study of indoline dyes for dye sensitized solar cells. Thin Solid Films 518, 6558–6563 (2010)CrossRef

Zurück zum Zitat Lin, L.Z., Harnly, J., Zhang, R.W., Fan, X.E., Chen, H.J.: Quantitation of the hydroxycinnamic acid derivatives and the glycosides of flavonols and flavones by UV absorbance after identification by LC-MS. J. Agric. Food Chem. 60, 544–553 (2012)CrossRef Lin, L.Z., Harnly, J., Zhang, R.W., Fan, X.E., Chen, H.J.: Quantitation of the hydroxycinnamic acid derivatives and the glycosides of flavonols and flavones by UV absorbance after identification by LC-MS. J. Agric. Food Chem. 60, 544–553 (2012)CrossRef

Zurück zum Zitat Jungsuttiwong, S., Tarsang, R., Pansay, S., Yakhantip, T., Promarak, V., Sudyoadsuk, T., Kaewin, T., Saengsuwan, S., Namuangrak, S.: Theoretical investigation of carbazole-based D–D–π–A organic dyes for efficient dye-sensitized solar cell. World Acad. Sci. Eng. Technol. 53, 1020–1026 (2011) Jungsuttiwong, S., Tarsang, R., Pansay, S., Yakhantip, T., Promarak, V., Sudyoadsuk, T., Kaewin, T., Saengsuwan, S., Namuangrak, S.: Theoretical investigation of carbazole-based D–D–π–A organic dyes for efficient dye-sensitized solar cell. World Acad. Sci. Eng. Technol. 53, 1020–1026 (2011)