Electron Transport Material Research Articles

Enhancing Efficiency and Stability of Inverted Perovskite Solar Cells through Solution‐Processed and Structurally Ordered Fullerene

AbstractThe electron transporting layer (ETL) used in high performance inverted perovskite solar cells (PSCs) is typically composed of C60, which requires time‐consuming and costly thermal evaporation deposition, posing a significant challenge for large‐scale production. To address this challenge, herein, we present a novel design of solution‐processible electron transporting material (ETM) by grafting a non‐fullerene acceptor fragment onto C60. The synthesized BTPC60 exhibits an exceptional solution processability and well‐organized molecular stacking pattern, enabling the formation of uniform and structurally ordered film with high electron mobility. When applied as ETL in inverted PSCs, BTPC60 not only exhibits excellent interfacial contact with the perovskite layer, resulting in enhanced electron extraction and transfer efficiency, but also effectively passivates the interfacial defects to suppress non‐radiative recombination. Resultant BTPC60‐based inverted PSCs deliver an impressive power conversion efficiency (PCE) of 25.3 % and retain almost 90 % of the initial values after aging at 85 °C for 1500 hours in N2. More encouragingly, the solution‐processed BTPC60 ETL demonstrates remarkable film thickness tolerance, and enables a high PCE up to 24.8 % with the ETL thickness of 200 nm. Our results highlight BTPC60 as a promising solution‐processed fullerene‐based ETM, opening an avenue for improving the scalability of efficient and stable inverted PSCs.

An n-Doping Cross-Linkable Quinoidal Compound as an Electron Transport Material for Fully Stretchable Inverted Organic Solar Cells.

The photocatalytic activity and inherent brittleness of ZnO, which is commonly used as an electron transport layer (ETL) in inverted organic solar cells (OSCs), have impeded advancements in device stability and the development of fully stretchable OSCs. In this study, an intrinsically stretchable ETL for inverted OSCs through a side-chain cross-linking strategy has been developed. Specifically, cross-linking between bromine atoms on the side chains of a quinoidal compound and the amino groups in polyethylenimine resulted in a film, designated QBr-PEI-50, with high electrical conductivity (0.049 S/m) and excellent stretchability (crack-onset strain>45 %). When used as the ETL in inverted OSCs, QBr-PEI-50 was markedly superior to ZnO in terms of device performance and stability, yielding a power conversion efficiency (PCE) of 18.27 % and a T80 lifetime exceeding 10000 h. Moreover, incorporation of QBr-PEI-50 in fully stretchable inverted OSCs yielded a PCE of 14.01 %, and 80 % of the initial PCE was maintained after 21 % strain, showcasing its potential for wearable electronics.

An n‐Doping Cross‐Linkable Quinoidal Compound as an Electron Transport Material for Fully Stretchable Inverted Organic Solar Cells

AbstractThe photocatalytic activity and inherent brittleness of ZnO, which is commonly used as an electron transport layer (ETL) in inverted organic solar cells (OSCs), have impeded advancements in device stability and the development of fully stretchable OSCs. In this study, an intrinsically stretchable ETL for inverted OSCs through a side‐chain cross‐linking strategy has been developed. Specifically, cross‐linking between bromine atoms on the side chains of a quinoidal compound and the amino groups in polyethylenimine resulted in a film, designated QBr‐PEI‐50, with high electrical conductivity (0.049 S/m) and excellent stretchability (crack‐onset strain>45 %). When used as the ETL in inverted OSCs, QBr‐PEI‐50 was markedly superior to ZnO in terms of device performance and stability, yielding a power conversion efficiency (PCE) of 18.27 % and a T80 lifetime exceeding 10000 h. Moreover, incorporation of QBr‐PEI‐50 in fully stretchable inverted OSCs yielded a PCE of 14.01 %, and 80 % of the initial PCE was maintained after 21 % strain, showcasing its potential for wearable electronics.

MAPLE-Deposited Perylene Diimide Derivative Based Layers for Optoelectronic Applications

Nowadays, the development of devices based on organic materials is an interesting research challenge. The performance of such devices is strongly influenced by material selection, material properties, design, and the manufacturing process. Usually, buckminsterfullerene (C60) is employed as electron transport material in organic photovoltaic (OPV) devices due to its high mobility. However, considering its low solubility, there have been many attempts to replace it with more soluble non-fullerene compounds. In this study, bulk heterojunction thin films with various compositions of zinc phthalocyanine (ZnPc), a perylene diimide derivative, or C60 were prepared by matrix-assisted pulsed laser evaporation (MAPLE) technique to assess the influence of C60 replacement on fabricated heterostructure properties. The investigations revealed that the optical features and the electrical parameters of the organic heterostructures based on this perylene diimide derivative used as an organic acceptor were improved. An increase in the JSC value (4.3 × 10−4 A/cm2) was obtained for the structures where the perylene diimide derivative acceptor entirely replaced C60 compared to the JSC value (7.5 × 10−8 A/cm2) for the heterostructure fabricated only with fullerene. These results are encouraging, demonstrating the potential of non-fullerene compounds as electron transport material in OPV devices.

Heteroatom‐Embedded Spiro[Fluorene‐9,9′‐Xanthene]‐Based Electron Transport Materials for Improved Driving Voltage and Efficiency in Phosphorescent Organic Light‐Emitting Diodes

AbstractThe organic material 9,9‐spirobifluorene (SBF) is a useful building block for the construction of organic light‐emitting diodes owing to its rigid molecular structure, good charge transport properties, and high triplet energy. However, the electron transport properties of the SBF‐derived electron transport materials (ETMs) are currently not good enough and should be improved. In this work, two ETMs derived from spiro[fluorene‐9,9′‐xanthene] (SFX) and spiro[cyclopenta[1,2‐b:5,4‐b′] dipyridine‐5,9′‐xanthene] (SPX) is developed to enhance the electron transport properties and triplet energy of the SBF‐derived ETMs. The SFX core can increase the triplet energy by disconnecting the conjugation on the xanthene part and SPX can improve the electron transport properties through the incorporation of two nitrogen atoms in the fluorene part of the SFX core. The SFX and SPX cores are substituted with diphenyltriazine to produce high mobility and high triplet energy ETMs. As a result, the SFX and SPX‐based ETMs showed high triplet energy of over 2.95 eV compared with 2.53 eV of the SBF‐derived ETM; in addition, the SPX‐derived ETM demonstrated higher mobility than the SBF‐derived ETM. As a result, the SPX‐derived ETM achieved lowered driving voltage and increased external quantum efficiency compared to other ETMs derived from SBF and SFX.

Highly conductive alcohol-processable n-type conducting polymer enabled by finely tuned electrostatic interactions for green organic electronics.

Solution-processable conducting polymers open up a new era in organic electronics, fundamentally altering the processing methods of electronic devices. P-type conducting polymers, exemplified by aqueous solution-processed poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), have been successfully commercialized. However, the performance of electron-transporting (n-type) materials remains considerably poorer. One of the primary challenges lies in striking a balance between conductivity and solvent processability. At present, most n-type conducting polymers necessitate toxic solvents for processing, which contradicts environmentally sustainable principles and impedes their potential for large-scale industrial applications. Herein, we developed an alcohol-processable high-performance n-type conducting polymer, poly(3,7-dihydrobenzo[1,2-b:4,5-b']difuran-2,6-dione): poly(2-ethyl-2-oxazoline) (PBFDO:PEOx), which utilizes electrostatic interactions between PEOx and PBFDO to simultaneously achieve high conductivity and alcohol-processability. The PBFDO:PEOx films exhibit remarkable electrical conductivity exceeding 1000 S cm-1 with outstanding stability even at temperatures up to 250 °C, establishing it as a prominent green solvent-processed n-type conducting polymer that rivals the most advanced p-type counterparts. Various applications including organic thermoelectric, electrochemical transistor and electrochromic devices were showcased, highlighting the broad potential of PBFDO:PEOx in advancing green organic electronics.

Matched Electron-Transport Materials Enabling Efficient and Stable Perovskite Quantum-Dot-Based Light-Emitting Diodes.

Light-emitting diodes (LEDs) based on perovskite quantum dots (QDs), abbreviated as P-QLEDs have been regarded as significantly crucial emitters for lighting and displays. Efficient and stable P-QLEDs still lack ideal electron transport materials (ETM), which could efficiently block hole, transport electron, reduce interface non-radiative recombination and possess high thermal stability. Here, we report 2,4,6-Tris(3'-(pyridine-3-yl) biphenyl-3-yl)-1,3,5-triazine (TmPPPyTz, 3P) with strong electron-withdrawing moieties of pyridine and triazine to modulate the performance of P-QLEDs. Compared with commonly used 1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene (TPBi), the pyridine in 3P have a strong interaction with perovskites, which can effectively suppress the interface non-radiative recombination caused by the Pb2+ defects on the surface of QDs. In addition, 3P have deep highest occupied molecular orbital (HOMO) (enhancing hole-blocking properties), matched lowest unoccupied molecular orbital (LUMO) and excellent electron mobility (enhancing electron transport properties), realizing the carrier balance and maximizing the exciton recombination. Furthermore, high thermal resistance of 3P obviously improves the stability of QDs under variable temperature, continuous UV illumination, and electric field excitation. Resultantly, the P-QLEDs using the 3P as ETM achieved an outstanding performance with a champion EQE of 30.2 % and an operational lifetime T50 of 3220 hours at an initial luminance of 100 cd m-2, which is 151 % and about 11-fold improvement compared to control devices (EQE=20 %, T50=297 hours), respectively. These results provide a new concept for constructing the efficient and stable P-QLEDs from the perspective of selective ETM.

Fullerene‐Free p–i–n Perovskite Solar Cells: Direct Deposition of Tin Oxide on Perovskite Layer Using Ligand Bridges

AbstractIn p–i–n perovskite solar cells (PSCs), fullerene derivatives are predominantly used as an electron transport material (ETM) despite their disadvantages, such as parasitic absorption in the short wavelength range and high cost. State‐of‐the‐art n‐i‐p PSCs are fabricated using SnO2 as the ETM due to their high charge transfer ability, transparency, and low cost. However, in p–i–n PSCs, dispersing SnO2 nanoparticles in a solvent that does not damage the perovskite and forming a uniform layer is challenging. Herein, a strategy of directly depositing SnO2 quantum dots (QDs) on perovskite using ethylenediamine (EDA) for high‐performance applications is reported, which involves a SnO2 QD solution designed with a damage‐free cosolvent. Treating the SnO2 QD layer with the EDA strategy creates a conformal SnO2 QD layer and improves charge transport. This strategy achieves a high power conversion efficiency (PCE) of 18.9% in PSCs with a 1.77 eV bandgap, which is the highest PCE reported for wide bandgap p–i–n PSCs using an inorganic ETM. The top SnO2 layer enables ITO deposition without sputtering damage and achieves a bifacial factor of 99% due to the high transmittance of SnO2 QD. The resulting four‐terminal all‐perovskite tandem exhibited a PCE of 27.0%.

Glycolic acid doped PFN-Br as cathode interface to achieve high-efficiency in organic solar cells

Small compounds are often utilized to adjust the cathode interface of organic solar cells (OSCs) due to their low batch change, easy synthesis, unambiguous chemical structure, and low cost. In this work, the alcohol-soluble small molecule material Glycolic acid was doped into the electron transport material Poly(9, 9-bis(3′-(N, N-dimethyl)-N-ethylammoniumpropyl-2, 7-fluorene)-alt-2, 7-(9, 9-dioctylfluorene)) dibromide (PFN-Br) to modify the performance of the cathode interface layer (CIL). The CIL doped with Glycolic acid has better surface morphology, which is conducive to charge transport and extraction. In addition, the introduction of Glycolic acid improves the hydrophilicity of CIL, makes the metal electrode have good contact with CIL, and helps to improve the stability of the OSCs. Additionally, it suppresses the device's trap-assisted recombination and bimolecular recombination, hastening exciton dissociation and charge collection. As a result, the power conversion efficiency (PCE) of OSCs based on PM6: Y6 blend film has risen from 15.26 % to 15.91 %. After 312 hours of stability testing, the aforementioned doped devices still have device performance higher than standard device. Furthermore, based on PBDB-T: IT-M mix film, the PCE of the doped device and reference device was 11.29 % and 10.55 %, respectively. This study suggests that using the alcohol-soluble small-molecule material Glycolic acid can increase the organic solar cells' (OSCs') efficiency. This study provides a new method for manufacturing high-performance OSCs.

An Optimized Design of Cd-free CZTS Solar Cells Using High-Performance Electron Transport Materials to Minimize Recombination Effects

An Optimized Design of Cd-free CZTS Solar Cells Using High-Performance Electron Transport Materials to Minimize Recombination Effects

Optimizing electron transport layers for high-efficiency perovskite solar cells using impedance spectroscopy

The best interface for a perovskite solar cell is designed to facilitate effective charge transport to achieve a high-power conversion efficiency. Tin dioxide (SnO2) is widely recognized as an electron transport material for perovskite solar cells, offering advantages such as low hysteresis, low defect concentration, and low fabrication temperature. However, the low conduction band edge of SnO2 restricts the built-in potential of the solar cell device. In this study, we designed a double layer of electron transport by applying zinc oxide (ZnO) on SnO2 to improve the electron transport properties in perovskite solar cells. The bilayer of electron transport enhances the interfaces between the perovskite and the electron transport layer, leading to an improvement in the efficiency and stability of solar cell devices up to 11.71 % compared to a single SnO2 layer device with a PCE of 9.06 %. The introduction of ZnO reduces charge recombination, resulting in a lower recombination resistance (Rrec). Also, charge transfer resistance (Rct) of ZnO/SnO2 increased to 16.6KΩ compared to a single SnO2 layer device with a Rct of 5.29KΩ. Our findings provide valuable insights into the design of electron transport layers for perovskite solar cells and highlight the importance of electrochemical impedance spectroscopy in understanding the dynamic processes that govern their performance.

The impact of hetero-aromatic rings on optoelectronic and charge transport properties of fused polycyclic compounds

The structural, optoelectronic, and charge-transport properties of linearly fused polycyclic hydrocarbon molecules with heteroatoms (NH, O, S, and Se) in five-membered rings have been investigated using the DFT approach. The hybrid functional B3LYP in combination with the 6–311 + G (d,p) basis set is utilized in the Gaussian 16 W software package for all the calculations. The absorption and emission energies are investigated by using time-dependent density functional theory (TD-DFT) at the same level of theory. To investigate the stability of each molecule concerning its aromaticity, nucleus-independent chemical shift (NICS) values are computed. Electron affinity (EA), hole extraction potential (HEP), ionization potential (IP), and electron extraction potential (EEP) are also reported. The simulated hole (λ h) and electron (λ e) reorganization energies for the majority of the molecules are lower than the characteristics hole and electron-transporting materials. The reported fused polycyclic compounds may have potential applications in optoelectronic devices.

A combined DFT and finite difference simulation study on hybrid halide perovskite-based solar cells

This work reports the modelling and numerical estimation of the photovoltaic parameters of perovskite solar cells (PSCs) containing formamidinium lead iodide (FAPbI3) and formamidinium tin iodide (FASnI3) in the form of light active materials using SCAPS 1D software. The analysis is done by introducing diverse hole and electron transport materials and back metal contacts to identify the most appropriate device configuration that can deliver optimum photovoltaic output. The optoelectronic properties and the absorption spectra of the two compounds are estimated by DFT calculation using WIEN2k, which incorporates density functional theory (DFT) principles and are provided as input to SCAPS 1D to improve the accuracy of modelling study. For FAPbI3 as absorber material, the configuration FTO/IGZO/FAPbI3/NiO/Au shows the highest photovoltaic parameter exhibiting a power conversion efficiency (PCE) and fill factor (FF) of 19.75 % and 74.29 % respectively. With FASnI3 as the absorber material, FTO/PCBM/FASnI3/P3HT/Au gives a PCE and FF of 21.6 % and 67.74 % respectively. The work also includes the analysis of influence of defect density at the interface layers and series and shunt resistance on performance of above-mentioned device architectures to identify their limitations under real experimental conditions. The influence of various attributes of perovskite on the performance of the device is examined to determine their optimum values.

Ultra-broadband Photodetectors Based on Formamidinium Lead Iodide Quantum Dots

Near-infrared photodetectors were fabricated by incorporating formamidinium lead iodide (FAPbI3) quantum dots (QDs) as the light-harvesting layer. Through systematic optimization of the device architecture, high device performance was achieved by utilizing PCBM as the electron transport material and a 50 nm-thick TAPC film as the hole transport layer. The energy level alignment between PCBM and the FAPbI3 QDs enabled efficient exciton dissociation and hole blocking, while the optimized TAPC thickness decrease current leakage pathways. The resulting photodetectors exhibited an impressive external quantum efficiency of 59.56 % at 750 nm, along with a high specific detectivity of 2.63 x 1011 Jones. A broadband photoresponse from 300–900 nm was observed, as well as a fast temporal response with 30.58/31.26 μs rise/fall times. A substantial linear dynamic range of 61.5 dB was achieved under 780 nm illumination. Furthermore, the low dark current densities facilitated by the judiciously selected materials and thicknesses contributed to the excellent overall device performance. The device performance of the PCBM/FAPbI3 QDs/TAPC system demonstrate its promising potential for near-infrared optoelectronic applications requiring high sensitivity, speed, and broad spectral response, opening up opportunities for further advances in photodetection as well as other relevant device technologies.

Enhancing Efficiency and Stability of Inverted Perovskite Solar Cells through Solution-Processed and Structurally Ordered Fullerene.

The electron transporting layer (ETL) used in high performance inverted perovskite solar cells (PSCs) is typically composed of C60, which requires time-consuming and costly thermal evaporation deposition, posing a significant challenge for large-scale production. To address this challenge, herein, we present a novel design of solution-processible electron transporting material (ETM) by grafting a non-fullerene acceptor fragment onto C60. The synthesized BTPC60 exhibits an exceptional solution processability and well-organized molecular stacking pattern, enabling the formation of uniform and structurally ordered film with high electron mobility. When applied as ETL in inverted PSCs, BTPC60 not only exhibits excellent interfacial contact with the perovskite layer, resulting in enhanced electron extraction and transfer efficiency, but also effectively passivates the interfacial defects to suppress non-radiative recombination. Resultant BTPC60-based inverted PSCs deliver an impressive power conversion efficiency (PCE) of 25.3% and retain almost 90% of the initial values after aging at 85°C for 1500 hours in N2. More encouragingly, the solution-processed BTPC60 ETL demonstrates remarkable film thickness tolerance, and enables a high PCE up to 24.8% with the ETL thickness of 200 nm. Our results highlight BTPC60 as a promising solution-processed fullerene-based ETM, opening an avenue for improving the scalability of efficient and stable inverted PSCs.

Boosting the performance of SnSe-based solar cells through electron and hole transport layers: A qualitative study and perspectives

The SnSe compound is garnering considerable interest as a potential solar absorber for developing highly efficient thin-film solar cells. Using one experimental report as a foundation and employing the one-dimensional solar cell capacitance simulator (SCAPS-1D), we examined the elements that impact the efficiency of solar cells utilizing tin selenide as the base material. The base structure consists of Anode/SnSe/CdS/i-ZnO/ZnO:Al/Cathode. A 0.5 μm thick SnSe film demonstrated an efficiency of 2.51 %. In the initial phase, we optimized the device efficiency to 18.65 % through parameter adjustments, utilizing toxic CdS as a buffer layer. In the subsequent phase, earth-abundant and non-toxic Zn1-xMgxO, SnO2, and TiO2 alternatives were explored as electron transport materials (ETL) to replace CdS. Zn1-xMgxO (with x = 0.1875) exhibited the highest efficiency at 19.03 %. In the final phase, various hole transport materials (HTL) were studied to enhance the SnSe-based solar cell's performance. Among the HTL materials investigated, NiO yielded the best efficiency of 20.59 % when using Zn1-xMgxO (with x = 0.1875) as a buffer layer.

Recent Progress on Cross-Linkable Fullerene-Based Electron Transport Materials for Perovskite Solar Cells.

Fullerene-based derivatives are frequently used as electron transport materials (ETMs) and interface buffers for perovskite solar cells (PSCs) due to their excellent properties, including high electron affinity and mobility, low recombination energy, tunable energy levels, and solution processability. However, significant challenges arise because fullerene derivatives tend to aggregate and dimerize, which reduces exciton dissociation and charge transport capacity. Additionally, their chemical compatibility with perovskite absorbers facilitates halide diffusion and degradation of PSCs. This overlap causes delamination and dissolution during device fabrication, hindering the performance enhancement of fullerene-based PSCs. To address these issues, researchers have developed cross-linkable fullerene materials. These materials have been shown to not only significantly improve the power conversion efficiency (PCE) of PSCs but also effectively enhance the device stability. In this review, we summarized recent research progress on cross-linkable fullerene derivatives as ETMs for PSCs. We systematically analyze the impact of these cross-linked ETMs on device performance and long-term stability, focusing on their molecular structures and working mechanisms. Finally, we discuss the future challenges that need to be overcome to advance the application of cross-linkable fullerene materials in PSCs.

Unveiling the potential of FASnI3 solar cells through advanced charge transport materials: A SCAPS-1D perspective

As demand grows for efficient and affordable photovoltaic technology, investigating alternative materials becomes crucial. Tin-based perovskite has a low bandgap, great optoelectronic properties, and higher carrier mobility. It has become an interesting absorber layer for perovskite solar cells (PSCs). However, improving their device performance presents challenges. Copper-based hole transport materials (HTM) and zinc-based electron transport materials (ETM) offer low cost, easy fabrication, and high electrical conductivity. This research analyzes the impacts of these transport materials on the FASnI3 absorber layer using numerical modeling in SCAPS-1D. Through simulation analysis, the study thoroughly examines the effect of these materials on PSC performance parameters such as QE curve, layer thickness, defect density, interface defect, and doping concentration. Moreover, this study identifies the most efficient PSC configurations, achieving good performance by ITO/ZnSe/FASnI3/Cu2O/Au with aVoc of 2.05 V, Jsc of 29.316 mA/cm2, FF of 53.37 %, and power conversion efficiency (PCE) of 32.13 %, providing valuable insights in optimizing FASnI3 solar cells and advancing next-generation solar energy conversion technologies.

Synthesis and characterization of new perylenediimide derivatives: Promising low-cost electron transport materials for perovskite solar cells

In organic-inorganic perovskite solar cells (PSCs), the electron transport layer (ETL) plays a crucial role providing efficient electron extraction and transport required for achieving high device performance. Compared to traditional fullerene-based electron-transport materials (ETMs), non-fullerene small molecules have attracted much attention due to their tunable optoelectronic properties, lower cost, and much higher stability. In this work, we synthesized and characterized four perylenediimide (PDI) derivatives and investigated their optoelectronic properties in the context of application as ETMs for PSCs. To establish the compatibility of PDI films with perovskite absorber material, the surface properties of Cs0.12FA0.88PbI3/PDI bilayer stacks were studied using contact angle and infrared scattering scanning near-field microscopy methods. A study of the photochemical stability of these bilayer stacks showed that coating the perovskite film with a layer of PDI improves its tolerance with respect to light. Utilizing these molecules as ETMs in the inverted p-i-n PSCs delivered light power conversion efficiencies ranging from 11.1 % to 15.4 %, thus indicating the considerable effect of the PDI derivative molecular structure on the photovoltaic properties. Further development of this research direction may lead to the rational design of advanced PDI-based electron transport materials for efficient and stable PSCs.

Synthesis and In-Vitro and In-Silico Investigation of Pyrazole Derivatives as Antibacterial and Antifungal Agents

Background: Heterocyclic compounds with O, N, and/or S atoms are highly valuable in drug discovery and development. Their pyrazole moieties find applications in various fields, such as herbicides, corrosion inhibitors, electron transport materials, polymers, and luminescent materials. Consequently, there is a pressing need in medicinal chemistry to develop new antibacterial agents to enhance therapeutic efficacy and safety. Methods: A newer biologically active 1-(4-substitutedphenyl)-5-chloro-3-methyl-1Hpyrazole-4-carboxylic acid analogue was synthesized by the para-substituted phenylhydrazine. All the synthesized compounds were characterized by NMR, mass spectral, and IR spectrum examinations, as well as C, H, and N analyses. The synthesized compounds were screened for antibacterial and antifungal activities. Furthermore, a molecular docking study was performed to elucidate the binding modes of synthesized ligands in the active pockets of DNA gyrase and CYP51 (PDB IDs: 4uro and 5tz1, respectively) for exhibiting the binding modes and predicting the mechanism of action of synthesized ligands. Results: Five compounds (2Rb, 2Re, 2Rg, 2Rh, and 2Ri) demonstrated significant antibacterial action against gram-positive B. subtilis and gram-negative E. coli and antifungal activity against C. albicans and A. niger compared to the standard drugs cefixime and ketoconazole. Furthermore, molecular docking was employed to reveal how the newly synthesized ligands bind within the active pockets. It was found that compound 2Rb demonstrated significant antibacterial activity, and compound 2Rg had good antifungal activity. Conclusion: The current study highlights the unique structural characteristics and significant biological activity of the synthesized compounds. In the pursuit of novel antibacterial and antifungal molecules, these compounds could prove beneficial to society.