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. 2025 Aug 18;18:32. doi: 10.1007/s40820-025-01869-z

Table 4.

Power conversion efficiency (PCE) of 2D materials-based OSCs with their functional roles for improved band alignment and interfacial layer

Device structure Functionality PCE (%) References
Al/P3HT:PC61BM/MoO3-MoS2/FTO/Glass Serve as HTL, after UVO treatment forms MoO3-MoS2 double layer which enhances hole extraction, blocks electrons and improved energy-level alignment 4.15 [192]
Al/P3HT:PC61BM(GQD)/MoS2/TFSA-GR MoS2 layers improve charge extraction efficiency and interfacial resistance; TFSA-doped graphene acts as transparent conductive electrode and improves conductivity and energy-level alignment. GQD incorporation into active layer enhances light absorption, charge separation and improves flexibility and mechanical stability of device 4.23 [193]
Ag/p-MoS2/PBDTTT-C-T:PC70BM/n-MoS2/AgNW Used as interfacial layers and composite transparent electrodes in AgNW which improves device fill factor and light absorption and enhances electrode conductivity and transmittance. Enables high-efficiency, large area and semi-transparency 6.39 [194]
Ag/MoO3/PTB7:PC71BM/PEIE/ITO/Glass 2D material work as ETL and sub-photosensitizer, which enhances charge separation and electron transfer. Improve light absorption, reduce electron decay time and enhance charge carrier dynamics 7.15 [195]
Al/PFN/ PTB7:PC71BM/MoS2@Au/ITO Acts as HTL utilizing plasmonic effects from Au nanoparticles for increased light absorption and charge carrier generation to improve short-circuit current density 7.25 [196]
PFN/PTB7:PC71BM/PEDOT:PSS/MoS2 Serves as HTL, MoS2 modified with a surfactant to improve colloidal stability and solution processability for long-term storage and easy integration 7.26 [197]
GO/PTB7:PC71BM/LiF Used as electron-blocking layer to replace PEDOT:PSS for enhancing thermal and humidity resistance and templating of active layer morphology, π stacked face-on microstructure 7.46 [198]
PTB7:PC71BM/e-MoO3 Serve as HTL, improves the hole transport and offers low-cost, scalable and efficient alternative to conventional vacuum-deposited MoOx layers 7.54 [199]
Ag/MoO3/PBDTTT-C-T:PC70BM/ZnO/ITO MoS2 nanosheets serve as interfacial layers and improve the charge transport, higher conductivity and transparency 7.62 [194]
Ag/MoO3/PTB7-Th:PC71BM/PEIE/ITO/Glass Serves as ETL and auxiliary light harvester, facilitate efficient charge separation and accelerating electron mobility and improves optical absorption and shortens carrier lifetime 7.86 [195]
ITO/ZnO/PTB7:PC71BM/MoS2/Ag Used as HTL, enhances the hole transport and energy-level alignment for room temperature, low-cost and scalable processing and alternative to vacuum-deposited MoOx for large-area 8.10 [199]
PTB7:PC71BM/NbSe2 Acts as low trap density HTL, enhances the hole extraction and interfacial quality and effectively replaces MoO3 in OSCs 8.10 [200]
Ag/MoO3/PTB7:PC71BM:MoS2 NS/ZnO/ITO Serve as dual-function additive in the ternary blend, enhance light harvesting by increasing optical absorption and improve charge transport by increasing carrier mobility and reduce trap state density 8.17 [201]
ZnO/BP/PTB7:PC71BM/MoO3 Used as ETL by forming cascaded band structure which facilitates electron transport, improve charge carrier extraction and reduce recombination 8.18 [35]
ITO/F-rGO/PTB7-Th:PC71BM/PFN/Al Function as HTL, improve film formation and conductivity. Enhances the energy-level alignment due to higher work function fluorinated-reduced graphene oxide 8.60 [202]
CuSCN/AMQS/PTB7-PC71BM Function as a passivating interlayer in bilayer hole extraction layer with CuSCN with reducing surface defects, suppress recombination and exciton quenching for enhanced charge extraction 8.80 [203]
ITO/MXene/PBDB-T:ITIC Function as both HTL and ETL by modifying work function via surface treatment which enable selective contact formation and facilitates efficient tunable charge extraction 9.06 [204]
ITO/MoC:PEDOT:PSS/PTB-Th:PCBM/LiF Serve as HTL and forms composite layer with PEDOT:PSS and enhances hole mobility, charge extraction and active layer morphology improved the device efficiency 9.24 [205]
ZnO/PTB7-Th:WSe2NFs:PC71BM/MoO3 Reduce exciton recombination, enhance charge transport, help in maintaining neat bulk heterojunction morphology and improve donor–acceptor interfaces and promote more balanced bipolar charge carrier mobility 9.24 [206]
ITO/PFN/PTB7:WSe2:PC71BM/MoO3/Ag Function as third component within the active layer, promotes exciton generation and facilitates exciton dissociation at the WSe2-fullerene interface. Improve electron extraction and balance charge transport 9.30 [207]
RGO/ZnO:ITRGO/PTB7-Th:PC71BM/MoO3 Incorporation into hybrid ZnO-based cathode interlayers improve electrical conductivity, form interconnected nanostructures and aligns energy levels for enhanced charge extraction 9.49 [208]
MXene/PBDB-T:ITIC/PFN:Br Function as HTL, improve the work function for efficient hole extraction and enhances electrical conductivity and optical transparency 10.53 [209]
α-In2Se3/PBDB-T:ITIC:PDINO Incorporation with PEDOT:PSS forms a composite HTL, enhances conductivity by screening Coulombic interactions and improving PEDOT chain networking, offers suitable work function and enhanced optical transmittance 11.22 [210]
ZnO/PTB7-Th:IEICO-4F:BPNFs/MoO3 Function as morphology modifiers and enhances π-π stacking order and domain purity, reduce carrier resistance, suppress recombination and offers morphological stability by retarding phase mixing during device aging for stability 12.20 [211]
ZnO/PBDB-T:ITIC:Bi2OS2/MoO3 Function as heterogeneous nucleation in active layer, improve crystallization, charge transport and surface morphology for enhanced efficiency 12.31 [212]
PEDOT:PSS/Ti3C2TX/PM6:Y6/PFN:Br Incorporation into PEDOT:PSS to form composite HTL for enhanced electrical conductivity and facilitates conformational changes in PEDOT, creates better charge transfer pathways 14.55 [213]
ZnO/PDINO-G/PM:Y/MoO3 Function as cathode interfacial material, for improved conductivity, lowers work function, reduce carriers recombination and enhances charge extraction 15.70 [214]
WS2/PBDB-T-2 F:Y/PFN:Br Serve as HTL, WS2 enhances work function alignment, improves film uniformity, higher short-circuit current, reduced series resistance for enhanced performance 15.80 [215]