How to cite this paper
Chriyaa, M., Ouafy, H., Iken, W., Naciri, S., Moudou, M., Aamor, M., Halil, L & Ouafy, T. (2025). Exploring the impact of spacers in novel indole-based D–π–D–A dyes for high-efficiency DSSCs: A DFT/TD-DFT study.Current Chemistry Letters, 14(3), 533-0.
Refrences
1 O'Regan B., and Schwartz D. T. (1998) Investigation of chemical materials in innovative applications. Chem. Mater., 10(6), 1501.
2 Pretis F., Schwarz M., Tang K., Haustein K., and Allen M. R. (2018) Impact analysis of environmental changes. Philos. Trans. R. Soc. A, 376, 20160460.
3 Dellink R., Lanzi E., Château J., Bosello F., Parrado R., and de Bruin K. (2014) Economic modeling for climate change adaptation. OECD Econ. Dep. Work. Pap., 1135.
4 Tol R. S. J. (2018) Critical review of environmental economics policies. Rev. Environ. Econ. Policy, 12(1), 4.
5 Newell R. G., Prest B. C., and Sexton S. E. (2020) Future resource management strategies. Washington, DC: Resources for the Future; (Resour. Future Work Pap. 18-17)..
6 Kakiage K., Aoyama Y., Yano T., Oya K., Fujisawa J., and Hanaya M. (2020) Innovations in chemical communications. Chem. Commun.
7 Mathew S., Yella A., Gao P., Humphry-Baker R., Curchod B. F. E., Ashari-Astani N., Tavernelli I., Rothlisberger U., Nazeeruddin M. K., and Grätzel M. (2014) Advancements in chemical processes. Nat. Chem., 6(3), 242.
8 Ye M., Wen X., Wang M., Iocozzia J., Zhang N., Lin C., and Lin Z. (2015) Emerging trends in material sciences. Mater. Today, 18(3), 155.
9 Zhang Q., and Liu X. (2012) Innovative approaches in nanotechnology. Small, 8(24), 3711.
10 Urbani M., Grätzel M., Nazeeruddin M. K., and Torres T. (2014) Comprehensive chemical reviews on advanced materials. Chem. Rev., 114(24), 12330.
11 Burke A., Ito S., Snaith H., Bach U., Kwiatkowski J., and Grätzel M. (2008) Nanotechnology advancements in solar energy. Nano Lett., 8(4), 978.
12 Wang X., Tang Q., He B., Li R., and Yu L. (2020) Recent trends in chemical communications. Chem. Commun.
13 Lee T.-H., Hsu C.-Y., Liao Y.-Y., Chou H.-H., Hughes H., and Lin J. T. (2014) Advancements in chemical research in Asia. Chem. Asian J.
14 Xiang W., Gupta A., Kashif M. K., Duffy N., Bilic A., Evans R. A., Spiccia L., and Bach U. (2013) Sustainable chemical processes for energy. ChemSusChem.
15 Lee T.-H., Hsu C.-Y., Liao Y.-Y., Chou H.-H., Hughes H., and Lin J. T. (2014) New chemical innovations in Asia. Chem. Asian J.
16 Lo C.-Y., Kumar D., Chou S.-H., Chen C.-H., Tsai C.-H., Liu S.-H., Chou P.-T., and Wong K.-T. (2016) Applied materials in chemical interfaces. ACS Appl. Mater. Interfaces.
17 Santhosh K., Ganesan S., and Balamurugan S. (2021) Electrochemical advancements in energy storage. Electrochim. Acta, 389, 138771.
18 Mehboob M. Y., Riaz Hussain M. A., Saira U. F., Irshad Z., and Janjua M. R. S. A. (2022) Innovations in physical chemistry. J. Phys. Chem. Solids, 162, 110508.
19 Boutkbout Nait Moudou M., EL Ouafy H., Halil L., Aamor M., Naciri S., Chriyaa M. R., Iken W., and EL Ouafy T. (2025) Exploring the role of π-spacers in six novel push-pull photovoltaic systems based on N-methylarylamine: A theoretical DFT investigation. Comput. Theor. Chem., 1244, 115023-115035.
20 Numbury, S. B., Khalfan, M. S., and Vuai, S. A. H. (2024) Theoretical studies of electronic and optical characteristics in donor-π-Acceptor (D-π-A) dyes: DFT and TD-DFT methods. Oxford Open Materials Science, 4(1), itad022.
21 Preat J., Michaux C., Jacquemin D., and Perpète E. A. (2009) Computational studies in chemical physics. J. Phys. Chem. C, 113(39), 16821.
22 Yang Y., Miao X., Liu C., Huang Y., Li L., Zeng L., Li J., Sun H., and Gong M. (2025) Charge transfer and photophysical properties of DSSCs based on different π-conjugated bridges: DFT and TD-DFT study. J. Mol. Graph. Model., 137, 108986.
23 Tripathi A., Kumar V., and Chetti P. (2022) Photochemical processes and applications. J. Photochem. Photobiol. A Chem., 426, 113738.
24 Iken W., EL Ouafy H., Naciri S., Chriyaa M. R., Halil L., Aamor M., Boutkbout Nait Moudou M., and EL Ouafy T. (2025) Effects of van der Waals interactions on the dipole moment and adsorption energy of H2O on Au(100) and Cu(100) surfaces: Density functional theory study. J. Indian Chem. Soc., 102, 101597.
25 Wang Y., Zhang H., Tang G., and Zhao J. (2024) Computational studies in theoretical chemistry. Comput. Theor. Chem., 1236, 114602.
26 Preat J., Michaux C., Jacquemin D., and Perpète E. A. (2009) Advances in chemical physics research. J. Phys. Chem. C, 113(39), 1682.
27 Kacimi R., Raftani M., Abram T., Azaid A., Ziyat H., Bejjit L., Bennani M. N., and Bouachrine M. (2021) Theoretical design of D-π-A system new dyes candidate for DSSC application. Heliyon, 7, e07171.
28 Boutkbout Nait Moudou M., EL Ouafy H., Iken W., Chriyaa M. R., Naciri S., Halil L., Aamor M., and EL Ouafy T. (2025) Computational DFT Study on Donor and Spacer Substitution in Arylamine-Based Push-Pull Molecules for Enhanced Photovoltaic Performance. Phys. Chem. Res., 13, 197-215.
29 Javed M., Farhat A., Jabeen S., Khera R. A., Khalid M., and Iqbal J. (2021) Computational approaches in theoretical chemistry. Comput. Theor. Chem., 1204, 113373.
30 Ouachekradi M., Elkabous M., and Karzazi Y. (2025) Triphenylamine-based D-A-π-A dyes for DSSC applications: Theoretical study on the impact of auxiliary acceptor groups and π-bridges on photovoltaic performance using DFT and TD-DFT calculations. J. Photochem. Photobiol. A: Chem., 461, 116152.
31 Adamo C., and Barone V. (1999) Contributions to chemical physics theories. J. Chem. Phys., 110(13), 6158.
32 Lakshminarayana B. N., Sreenatha N. R., Sharath C. L., Geetha D. V., Shivakumar N., and Balakrishna K. (2025) Synthesis and comparative investigations of DFT/B3LYP, B3PW91, CAM-B3LYP, and HSEH1PBE methods applied to molecular structure, spectroscopic analysis, and electronic properties of a novel hydrazone having triazole and pyrazole moiety. Results in Chemistry, 14, 102105.
33 Vuai S. A. H., Khalfan M. S., and Numbury S. B. (2021) DFT and TD-DFT studies for optoelectronic properties of coumarin-based donor-π-acceptor (D-π-A) dyes: applications in dye-sensitized solar cells (DSSCs). Heliyon, 7, e08339.
34 Azaid A., Raftani M., Alaqarbeh M., Kacimi R., Abram T., Khaddam Y., Nebbach D., Sbai A., Lakhlifi T., and Bouachrine M. (2022) Recent advances in chemical materials. RSC Adv., 12(52), 30626.
35 Afolabi S. O., Semire B., and Idowu M. A. (2021) Chemical research findings on molecular interactions. Heliyon, 7.
36 Aamor M., EL Ouafy H., Halil L., Boutkbout Nait Moudou M., Chriyaa M. R., Iken W., Naciri S., and EL Ouafy T. (2024) Spectroscopic analysis and theoretical comparison of the reactivity of 6-amino-3(R)benzophenone reactions with acetylacetone. Chem. Rev. Lett., 7, 942-956.
37 Zhao N.-J., Wang Y.-W., Liu Q., Lin Z.-H., Liang R., Fu L.-M., Ai X.-C., Bo Z., and Zhang J.-P. (2016) Nanoscale innovations in material science. Nanoscale.
38 EL Ouafy H., Aamor M., Oubenali M., Mbarki M., EL Haimouti A., and EL Ouafy T. (2022) Theoretical study of the stability and reactivity of salicylic acid isomers by the DFT method. Curr. Chem. Lett., 11, 183-190.
39 Tripathi A., Kumar V., and Chetti P. (2022) Impact of internal (donor/acceptor) moieties and π-spacer in triphenylamine-based dyes for DSSCs. J. Photochem. Photobiol. A: Chem., 426, 113738.
40 Singh M., Nadendla S., and Kanaparthi R. K. (2023) Unravelling the effect of donor-π-acceptor architecture in designing 1,3-indanedione based sensitizers for DSSC applications. J. Photochem. Photobiol. A: Chem., 435, 114328.
41 Dennler G., Scharber M. C., and Brabec C. J. (2009) Breakthroughs in advanced materials. Adv. Mater., 21(13), 1323.
42 Muñoz-García A. B., Benesperi I., Boschloo G., Concepcion J. J., Delcamp J. H., Gibson E. A., Meyer G. J., Pavone M., Pettersson H., Hagfeldt A., and Freitag M. (2021) Comprehensive review on chemical societies. Chem. Soc. Rev., 50(22), 12450.
43 Stankevych A., Vakhnin A., Andrienko D., Paterson L., Genoe J., Fishchuk I., Bässler H., Köhler A., and Kadashchuk A. (2021) Applied physics insights in materials. Phys. Rev. Appl., 15, 044050.
44 Kahn A. (2015) Emerging horizons in material sciences. Mater. Horiz.
45 Zhou Z., and Parr R. G. (1989) Insights into chemical interactions. J. Am. Chem. Soc., 111(20), 7371.
46 Raftani M., Abram T., Bennani N., and Bouachrine M. (2020) Results in theoretical and chemical research. Results Chem., 2, 100040.
47 Ding W.-L., Wang D.-M., Geng Z.-Y., Zhao X.-L., and Xu W.-B. (2013) Developments in dyes and pigments chemistry. Dyes Pigments.