Comprehensive Analysis of Fullerene- and Non-Fullerene-Based Bulk Heterojunction Solar Cells Using Numerical Simulation
Source abstract
Abstract
In recent years, two-dimensional (2D) materials have been widely used for various applications due to their low cost, high charge carrier mobility, and tunable electronic structure. Here, in this study, we present the application of molybdenum disulfide (MoS2) used as a hole transport layer (HTL) material for fullerene (FA) and non-fullerene (NFA)-based organic photovoltaic (OPV) devices. A numerical simulation is carried out for these types of solar cells, and the SCAPS-1D software tool is used. Our study is specifically focused on the impact of thickness, the optimization of interface engineering, and the effect of high-temperature analysis to improve the output characteristics. The influence of interface defects between the HTL/active layer and the active layer/ETL (electron transport layer) is also contemplated. After optimization, the obtained power conversion efficiency (PCE) of these NFA- and FA-based devices is reported as 16.38% and 9.36%, respectively. A reflection coating study is also carried out to improve the power conversion efficiency of these devices. Here, the presented results demonstrate that molybdenum disulfide (MoS2) as a 2D material can be successfully used as an HTL material for high-efficiency OPV devices, both for fullerene (FA)- and non-fullerene (NFA)-based solar cells.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Organic Electronics and Photovoltaics · Perovskite Materials and Applications · Conducting polymers and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Centre of Polymer and Carbon Materials, Polish Academy of Sciences, Sklodowskai-Curie 34 Str., 41-819 Zabrze, Poland
Joint Doctoral School, Silesian University of Technology, Akademicka 2A Str., 41-800 Gliwice, Poland
References (50)
Show source-provided references
1. Fabrication of fullerene-supported La2O3–C60 nanocomposites: Dual-functional materials for photocatalysis and supercapacitor electrodes10.1039/D2CP05357H ↗
2. Scalable synthesis of MOF-derived Nd2O3@C and V2O5@C nanohybrid: Efficient electrocatalyst for OER in alkaline medium10.1016/j.fuel.2023.129485 ↗
3. Recent advances in sensitized mesoscopic solar cells10.1021/ar900141y ↗
4. Gnida, P., Amin, M.F., Pająk, A.K., and Jarząbek, B. (2022). Polymers in High-Efficiency Solar Cells: The Latest Reports. Polymers, 14.10.3390/polym14101946 ↗
5. Review of photovoltaic technologies10.1016/j.rser.2011.01.004 ↗
6. A review of solar photovoltaic technologies10.1016/j.rser.2010.11.032 ↗
7. Photovoltaic materials: Present efficiencies and future challenges10.1126/science.aad4424 ↗
8. Organic solar cells: An overview10.1557/JMR.2004.0252 ↗
9. Polymer solar cells10.1038/nphoton.2012.11 ↗
10. Recent approaches to controlling the nanoscale morphology of polymer-based bulk-heterojunction solar cells10.3390/en6115847 ↗
11. Design rules for donors in bulk-heterojunction solar cells—Towards 10% energy-conversion efficiency10.1002/adma.200501717 ↗
12. Numerical study of organic graded bulk heterojunction solar cell using SCAPS simulation10.1016/j.solener.2020.09.068 ↗
13. Polymer–fullerene composite solar cells10.1002/anie.200702506 ↗
14. Small-molecule, nonfullerene acceptors for polymer bulk heterojunction organic photovoltaics10.1021/cm1023019 ↗
15. The physics of small molecule acceptors for efficient and stable bulk heterojunction solar cells10.1002/aenm.201703298 ↗
16. Analytical modeling of organic solar cells including monomolecular recombination and carrier generation calculated by optical transfer matrix method10.1016/j.orgel.2016.10.040 ↗
17. Effect of active layer thickness on the performance of polymer solar cells based on a highly efficient donor material of PTB7-Th10.1021/acs.jpcc.8b03132 ↗
18. Alahmadi, A.N. (2022). Design of an efficient PTB7: PC70BM-based polymer solar cell for 8% efficiency. Polymers, 14.10.3390/polym14050889 ↗
19. Theoretical study of the impact of the D/A system polymer and anodic interfacial layer on inverted organic solar cells (BHJ) performance10.1016/j.optmat.2021.111588 ↗
20. Electrical simulation of the function of tungsten oxide in polymeric solar cells10.1088/2053-1591/ab5e9d ↗
21. Numerical modelisation of ZnO interfacial layer on P3HT: PCBM based organic photovoltaic bulk heterojunction devices10.1016/j.ijleo.2018.08.038 ↗
22. Next-generation organic photovoltaics based on non-fullerene acceptors10.1038/s41566-018-0104-9 ↗
23. Device modelling and optimization studies on novel ITIC-OE based non-fullerene organic solar cell with diverse hole and electron transport layers10.1016/j.optmat.2021.111912 ↗
24. Possible efficiency boosting of non-fullerene acceptor solar cell using device simulation10.1016/j.optmat.2019.03.023 ↗
25. Optimization of ETM and HTM layer on NFA based BHJ-organic solar cell for high efficiency performance10.1016/j.ijleo.2021.167717 ↗
26. Device modeling of two-dimensional hole transport materials for boosting the performance of non-fullerene acceptor bulk heterojunction organic solar cells10.1016/j.optmat.2022.112771 ↗
27. Nowsherwan, G.A., Samad, A., Iqbal, M.A., Mushtaq, T., Hussain, A., Malik, M., Haider, S., Pham, P.V., and Choi, J.R. (2022). Performance analysis and optimization of a PBDB-T: ITIC based organic solar cell using graphene oxide as the hole transport layer. Nanomaterials, 12.10.3390/nano12101767 ↗
28. Al-Muhimeed, T.I., Alahmari, S., Ahsan, M., and Salah, M.M. (2023). An Investigation of the Inverted Structure of a PBDB: T/PZT: C1-Based Polymer Solar Cell. Polymers, 15.10.3390/polym15244623 ↗
29. 2D/2D heterojunction of ultrathin MXene/Bi2WO6 nanosheets for improved photocatalytic CO2 reduction10.1002/adfm.201800136 ↗
30. NiFe-layered double hydroxides/lead-free Cs2AgBiBr6 perovskite 2D/2D heterojunction for photocatalytic CO2 conversion10.1021/acs.inorgchem.2c04374 ↗
31. Preparation of high concentration dispersions of exfoliated MoS2 with increased flake size10.1021/cm301515z ↗
32. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides10.1038/nnano.2012.193 ↗
33. 2D materials for organic and perovskite photovoltaics10.1016/j.nanoen.2021.106833 ↗
34. Solution-processable graphene oxide as an efficient hole transport layer in polymer solar cells10.1021/nn100551j ↗
35. Improved performance of hole-transporting layer-free perovskite solar cells by using graphene oxide sheets as the nucleation centers10.1039/C7RA08680F ↗
36. Improvement of the photovoltaic parameters of perovskite solar cells using a reduced-graphene-oxide-modified titania layer and soluble copper phthalocyanine as a hole transporter10.1039/C7CP04538G ↗
37. Graphene oxide and its electrochemical performance10.1016/S1452-3981(23)19543-5 ↗
38. Kymakis, E., and Konios, D. (2018). Graphene oxide-like materials in organic and perovskite solar cells. The Future of Semiconductor Oxides in Next-Generation Solar Cells, Elsevier.10.1016/B978-0-12-811165-9.00009-0 ↗
39. Solution-processable functionalized graphene oxide as an efficient hole transport layer in organic photovoltaics10.1166/jnn.2014.7954 ↗
40. Dimiev, A.M., and Eigler, S. (2016). Graphene Oxide: Fundamentals and Applications. John Wiley & Sons.10.1002/9781119069447 ↗
41. Liquid phase exfoliation of MoS2 and WS2 in aqueous ammonia and their application in highly efficient organic solar cells10.1039/D0TC00659A ↗
42. 17% efficient organic solar cells based on liquid exfoliated WS2 as a replacement for PEDOT: PSS10.1002/adma.201902965 ↗
43. Water-soluble 2D transition metal dichalcogenides as the hole-transport layer for highly efficient and stable p–i–n perovskite solar cells10.1021/acsami.7b06403 ↗
44. Modelling Polycrystalline Semiconductor Solar Cells10.1016/S0040-6090(99)00825-1 ↗
45. Khan, M.R., and Jarząbek, B. (2023). Optimization and efficiency enhancement of modified polymer solar cells. Polymers, 15.10.20944/preprints202308.0912.v1 ↗
46. Khan, M.R., and Jarząbek, B. (2024). Parametric Optimization of High-Dielectric Organic Thin-Film Solar Cells. Mater. Proc., 17.10.3390/materproc2024017016 ↗
47. A high dielectric constant non-fullerene acceptor for efficient bulk-heterojunction organic solar cells10.1039/C7TA10136H ↗
48. Characteristic features and performance investigations of a PTB7:PC71BM/PFN: Br pure organic solar cell using SCAPS-1D10.1007/s11664-022-10202-y ↗
49. Performance analysis and optimization of inverted inorganic CsGeI3 perovskite cells with carbon/copper charge transport materials using SCAPS-1D10.1098/rsos.221127 ↗
50. Influence of layer thickness, defect density, doping concentration, interface defects, work function, working temperature and reflecting coating on lead-free perovskite solar cell10.1016/j.solener.2022.03.069 ↗