Spin-coated Thin Films Research Articles

Solution-processed planarly oriented thin films of cholesteric liquid-crystalline semiconductors

We have successfully fabricated cholesteric liquid-crystalline (CLC) semiconductor thin films from the mixture of dimeric and monomeric compounds based on oligo(p-phenylenevinylene) units by spin-coating method. This is the first example of solution-processed planarly orientated thin film in CLC semiconductors. The mixture exhibited a CLC phase at lower temperatures than the compound alone, allowing the fabrication of spin-coated CLC thin films at room temperature. Furthermore, the dimeric compound has trifluoromethyl groups that exhibited high solubility in organic solvents such as chloroform due to its improved hydrophobicity. In addition, the high hydrophobicity of the trifluoromethyl groups lowers the surface tension of the liquid–crystal material, resulting in planar orientation.

Highly sensitive and room-temperature operable carbon dioxide gas sensor based on spin-coated Sn-doped Co3O4 thin films with advanced recovery properties

The urgency to address climate change has highlighted the need for gas sensors capable of monitoring air quality at room temperature (RT) and accurately measuring the concentrations of carbon oxides (CO2 and CO) in the environment. This study details the development of a highly sensitive CO2 gas sensor using spin-coated Sn-doped Co3O4 thin films, operating at a room temperature of 30⁰C and a relative humidity (RH%) of 43 %. Extensive characterization employing XRD, SEM, EDX, FTIR, and UV–Vis optical techniques verified the impact of Sn doping on the surface morphology, phase purity, and a notable reduction in the dual-band gap of the thin films. Gas sensing measurements were conducted at RT using varying CO2 gas concentrations. A sensor response of 796.81 % was obtained for the optimally sensitive film, 10 % Sn-doped Co3O4, at a CO2 concentration of 9990 ppm. Additionally, a range of RH % levels was examined at a constant CO2 gas concentration of 9990 ppm, revealing an optimal humidity level of 43 % at RT. Further analysis revealed that the 10 % Sn-Co3O4 sensor displayed enhanced sensitivity to CO2, surpassing its response to N2, H2, and NH3 gases. The determined limits of detection and quantification underscore the sensor's precision and reliability in quantifying CO2 gas concentrations. Our findings demonstrate the excellent potential of Sn-doped Co₃O₄ thin films as highly sensitive CO₂ gas sensors. These films provide a promising solution for detecting elevated CO₂ levels at room temperature, aiding climate change mitigation efforts.

2D versus 3D-Like Electrical Behavior of MXene Thin Films: Insights from Weak Localization in the Role of Thickness, Interflake Coupling and Defects.

MXenes stand out from other 2D materials because they combine very good electrical conductivity with hydrophilicity, allowing cost-effective processing as thin films. Therefore, there is a high fundamental interest in unraveling the electronic transport mechanisms at stake in multilayers of the most conducting MXene, Ti3C2Tx. Although weak localization (WL) has been proposed as the dominating low-temperature (LT) transport mechanism in Ti3C2Tx thin films, there have been few attempts to model it quantitatively. In this work, the role of important structural parameters - thickness, interflake coupling, defects - on the dimensionality of the LT transport mechanisms in spin-coated Ti3C2Tx thin films is investigated through LT and magnetic field dependent resistivity measurements. A dimensional crossover from 2D to 3D WL is clearly evidenced when the film thickness exceeds the dephasing length lϕ, estimated here in the 50-100 nm range. 2D WL can be restored by weakening the coupling between adjacent flakes, the intrinsic thickness of which is lower than lϕ, hence acting as parallel 2D conductors. Alternatively, lϕ can be reduced down to the 10 nm range by defects. These results clearly emphasize the ability of WL quantitative study to give deep insights in the physics of electron transport in MXene thinfilms.

Low-temperature Deposited Highly Sensitive Integrated All-Solid Electrodes for Electrochemical pH Detection

This article describes the process of fabricating an integrated all-solid electrode (IASE) by integrating thin films of titanium dioxide (TiO<i>2</i>) and silver/silver chloride (Ag/AgCl) onto an indium tin oxide (ITO) substrate. The fabrication of a pH sensing electrode (SE) involved utilizing a spin-coated thin film composed of TiO<i>2</i>. Thermally produced thin films of Ag/AgCl were used to develop solid reference electrodes (RE). The present work examined the impact of the drying process on the pH sensitivity and linearity of the low-temperature deposited IASE. The drying procedure was carried out within a temperature range from room temperature to 100°C. The investigation involved the examination of crystallinity, surface morphology, and thin film composition through the utilization of field effect scanning electron microscopy (FESEM), X-ray diffraction (XRD), and energy-dispersive X-ray (EDX) methods. In addition, a comparison was made between the pH sensing performance of the IASE and a commercially available Ag/AgCl RE. The findings of this research demonstrate that the IASE sample, which underwent a drying process at a temperature of 100°C, exhibited remarkable sensitivity and linearity values of 66.7 mV/pH and 0.9827, separately, when compared to the commercially available RE.

Design of a Novel Peptide with Esterolytic Activity toward PET by Mimicking the Catalytic Motif of Serine Hydrolases.

Serine hydrolases have become increasingly important for recycling PET plastics. However, their properties are inherently constrained by their 3D structure, which in turn limits the conditions for their application. Considering peptides as catalysts for industrial depolymerization processes can help us to escape some of these limitations. In this article, a 25 amino acid thermostable peptide, HSH-25, was designed to depolymerize PET. The peptide incorporates a His-Ser-His motif, inspired by the catalytic triad found in the serine hydrolase family, into a β-hairpin fold. Stability of the fold was investigated by molecular dynamics simulations. Esterolytic activity of the peptide toward model substrates was detected within a pH range from pH 7 to pH 9.5. Degradation of polymeric PET substrates was confirmed by atomic force microscopy imaging on spin-coated PET thin films.

Enhancing low-temperature sensor applications: Synergistic effects of Ni doping and SnO2 interlayer on spin-coated ZnO thin films on glass substrate

This study investigates the effects of Nickel doping and a SnO2 interlayer on the structural, morphological, optical, and electrical properties of ZnO thin films. Undoped and Ni-doped ZnO films were fabricated on glass substrates, with and without an SnO2 interlayer, using the sol-gel spin coating method. The samples—denoted as ZG (undoped ZnO), NZG (Ni-doped ZnO), ZSG (undoped ZnO with SnO2 interlayer), and NZSG (Ni-doped ZnO with SnO2 interlayer)—underwent comprehensive characterization via XRD, AFM, PL, UV–Vis spectroscopy, Hall effect measurements, Hot probe, and Two-point method. XRD analysis confirmed successful Ni incorporation and enhanced ZnO crystallinity, particularly in the presence of the SnO2 interlayer. AFM analysis revealed improved grain distribution and size due to the synergistic effects of Ni doping and the SnO2 interlayer. UV–Vis results indicated significant impacts on transparency and the Urbach energy, with Ni doping alone broadening the bandgap. PL measurements showed that the synergistic effects quenched UV luminescence associated with the glass substrate, enhancing visible luminescence. Chromaticity analysis suggested that ZSG and NZSG samples are suitable for warm blue region applications. Electrical measurements revealed n-type conductivity across all films except NZG, with Ni doping increasing resistivity. Additionally, the ZSG (PTC) sensor exhibited a slightly higher sensitivity (0.3852 Ω/°C) compared to the NZSG sensor (0.3782 Ω/°C), with a similar trend observed in NTC sensors. These findings suggest that Ni-doped ZnO films with SnO2 interlayers could potentially serve as thermistors and RTDs, offering promising applications in temperature sensing and optoelectronics.

Effect of Al doping on the structural, optical and photocatalytic properties of sol-gel spin-coated NiO thin films

Nanostructured NiO thin films are renowned for their catalytic activity and potential for degradation of industrial effluents. In this study, Al-doped NiO (Ni1-xAlxO with x = 0, 0.02, 0.04, 0.06, and 0.08) thin films were synthesized by sol–gel spin coating, and the influence of Al doping on their physical properties, surface morphology, optical band gap, and photo-catalytic performance was investigated. X-ray diffraction (XRD) analysis confirmed the high crystallinity of the thin films and revealed a pronounced doping effect on parameters such as crystallite size, microstrain, and dislocation density. Scanning electron microscopy (SEM) revealed the formation of spherical nanoparticles with particle sizes ranging from 26 nm to 11 nm. The elemental composition was verified through energy-dispersive x-ray (EDX) analysis. The optical bandgap of the prepared films was determined through UV-visible spectroscopy. The Ni0.98Al0.02O films exhibited the lowest PL intensity, indicating a reduced recombination rate. To assess the photo-degradation capability of the prepared thin film catalysts, industrial effluent Indigo Carmine was employed as a test compound. The Ni0.98Al0.02O sample demonstrated the highest degradation efficiency, achieving about 96% degradation within 2 h of UV–vis light irradiation. Furthermore, the degradation followed pseudo-first-order kinetics.

The evolution of morphology and structure of spin-coated Zinc Acetate thin films and their impact on ZnO film morphology

The deposition of ZnO thin films using sol-gel technology is a straight forward and widely used method for fabricating ZnO films with diverse morphologies and tunable electrical and optical properties. Notably, the preparation of ZnO compact layers from a zinc acetate and monoethanolamine (ZA:MEA) solution via spin-coating has gained popularity due to its simplicity. The pretreatment of spin-coated ZA:MEA films significantly impacts the morphology and structure of the resulting ZnO films. While the effects of preheating and its rate on ZnO precursor films have been extensively studied, the morphological and structural evolution of ZA:MEA films immediately after spin-coating and its subsequent impact on the final ZnO film have not been previously explored. In this study, we present the topography and phase composition of as-grown ZA:MEA films using atomic force microscopy (AFM). We conduct an in-situ investigation of the morphological evolution of ZA:MEA films. Our results reveal that as-grown ZA:MEA films possess an inhomogeneous structure. AFM phase image shows two distinct domains in the ZA:MEA films. Over time, we observe the growth of crystals in both vertical and perpendicular directions. ZA:MEA film aged for at least 20 h develops arrays of vertically oriented crystals throughout the film covered with sheet-like crystals forming on the film surface. This temporal evolution in the morphology and structure of ZA:MEA films significantly influences the morphology of the final ZnO film.

Perovskite polycrystal for optically tuning terahertz interference fringes

We optically tuned the terahertz interference fringe using a perovskite polycrystal. Specifically, we used CH3NH3PbI3 polycrystals with different morphologies that were annealed at different temperatures. The largest modulations depth (23 %) was obtained for the CH3NH3PbI3 polycrystal drop-coated at 130 °C; this was also greater than that of a spin-coated CH3NH3PbI3 thin film. We demonstrated that the combination of a drop-coated CH3NH3PbI3 polycrystal with a metasurface allows modulation of terahertz waves. Using the interference formed by partial-through measurement and the shift of the periodic peak in the terahertz time-domain spectroscopy system, we experimentally verified that the perovskite polycrystal can redshift the terahertz-band interference fringes by 50 GHz by changing the optical power density of the external excitation light source. This provides a new idea and possibility for the development of novel terahertz modulation devices.

Enhancement of organic field-effect transistor performance via precision molecular alignment of a P4T2F-HD-based conjugated polymer

This study conducts a detailed exploration of how the orientation of molecules affects the efficiency of organic field-effect transistors (OFETs), with a particular focus on a new conjugated polymer, P4T2F-HD. The study examines the fabrication of both large-scale, anisotropically oriented thin films and non-oriented, isotropic thin films of P4T2F-HD through two separate approaches: the Unidirectional Film Transfer Method (UFTM) for oriented films and spin-coating for isotropic films. Results indicate that UFTM notably excels in directing the molecular alignment of P4T2F-HD across extensive areas, thereby creating anisotropic thin films, whereas spin-coating yields isotropic thin films lacking specific orientation. Further investigation into the properties of these films through various analytical techniques sheds light on the role of molecular orientation in influencing their electronic characteristics. OFETs fabricated with anisotropically oriented P4T2F-HD films exhibit markedly improved performance, characterized by higher charge carrier mobility and enhanced electrical stability, in comparison to their isotropic counterparts. The study evidences that the directional arrangement of macromolecules plays a pivotal role in OFETs functionality, with UFTM-derived films demonstrating a significant leap in field-effect mobility—showing an over 100-fold improvement over spin-coated films. This boost is linked to the effective charge transmission along the polymer chains, enabled by precise molecular alignment.

Investigation on TiO2 spin-coated thin films effect on the optoelectronic properties of stain-etched porous silicon for solar cell applications

This article aims to improve the opto-electronic properties of porous silicon (PS) to integrate it as an anti-reflecting coating in solar cell applications. The enhancement of its properties is achieved through the passivation of its surface by titanium dioxide (TiO2). Samples of porous silicon were elaborated using stain etching technique, then treated with the metal oxide using spin-coating technique. The film thickness was varied to study the thickness effect on the properties of the TiO2/PS structure. Morphological study has shown that most pores were covered with TiO2 structures, resulting in an overall change in the surface morphology. Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) analysis has confirmed the TiO2 deposition on PS surface. The passivation of PS with TiO2 had more interesting results, especially in the case of PS passivated with three layers of TiO2, which suggests a good coverage of the surface of PS, results confirmed by optical study and minority carrier lifetime measurement. Moreover, a simulation was also carried out using PC1D. The optoelectronic results of the synthesized TiO2/PS samples were applied on a built-in model of a commercialized silicon-based solar cell. The efficiency increased from 11% for an untreated silicon solar to 15.8% for the cell modeled with 3 layers of TiO2 deposited on PS.

Magnetron sputtered nickel oxide with suppressed interfacial defect states for efficient inverted perovskite solar cells

Widely used spin-coated nickle oxide (NiOx) based perovskite solar cells often suffer from severe interfacial reactions between the NiOx and adjacent perovskite layers due to surface defect states, which inherently impair device performance in a long-term view, even with surface molecule passivation. In this study, we developed high-quality magnetron-sputtered NiOx thin films through detailed process optimization, and compared systematically sputtered and spin-coated NiOx thin film surfaces from materials to devices. These sputtered NiOx films exhibit improved crystallinity, smoother surfaces, and significantly reduced Ni3+ or Ni vacancies compared to their spin-coated counterparts. Consequently, the interface between the perovskite and sputtered NiOx film shows a substantially reduced density of defect states. Perovskite solar cells (PSCs) fabricated with our optimally sputtered NiOx films achieved a high power conversion efficiency (PCE) of up to 19.93% and demonstrated enhanced stability, maintaining 86.2% efficiency during 500 h of maximum power point tracking under one standard sun illumination. Moreover, with the surface modification using (4-(2,7-dibromo-9,9-dimethylacridin-10(9H)-yl)butyl)phosphonic acid (DMAcPA), the device PCE was further promoted to 23.07%, which is the highest value reported for sputtered NiOx based PSCs so far.

Influence of Ag doping on structural, morphological, and optical characteristics of sol-gel spin-coated TiO2 thin films

Pure and Ag-doped Titanium dioxide (TiO2) thin films have been synthesized via the sol-gel spin coating method, and their structural, morphological, and optical properties have been investigated. X-ray diffraction analysis verifies that the polycrystalline anatase TiO2 phase is retained up to 2 % Ag doping. However, lattice expansion and grain refinement down to 25.345 nm are observed with increasing Ag content. Scanning electron microscopy (SEM) reveals the formation of large, isolated TiO2 aggregates separated by drying-induced cracks across the film surface. Optical studies show the undoped TiO2 films demonstrate excellent visible transparency (>75 % transmittance) that slightly decreases upon Ag doping, though it remains suitably high for device applications. Meanwhile, optical absorption and defect states improve with more Ag incorporation, narrowing the TiO2 bandgap from 3.83 eV (undoped) to 3.51 eV (2 % Ag-doping) due to the incorporation of Ag-induced electronic states just below the conduction band minimum. The capability to control optical and structural properties through Ag doping highlights the potential of these TiO2 films suitably tailored for photovoltaic devices or self-cleaning coatings.

Role of Annealing with Electric Field Toward Improvement of Ferroelectric and Electroactive Properties of PVDF Copolymer and Terpolymer Thin Films.

The present study elucidates the role of annealing with electric field on lamellar crystalline structure and molecular orientation of polymer chains in ferroelectric copolymer (P(VDF-TrFE)) and ferroelectric terpolymer (P(VDF-TrFE-CFE)) spin-coated thin films. The ferroelectric polymer thin films annealed under an electric field support the growth of nanostructure with an "edge-on" lamellar crystalline structure having in-plane molecular chain orientation. The poled P(VDF-TrFE) thin films have higher remnant polarization (Pr) ≈6.2µCcm-2 and saturation polarization (Ps) ≈8.2µCcm-2 at an applied electric field of 250 MV/m compared to unpoled thin films having Pr ≈4.7 and Ps ≈6.2µCcm-2. Also, poled P(VDF-TrFE) thin films show lower coercive field (Ec) ≈94 MV/m compared to an unpoled thin film having Ec ≈105 MV/m. Similarly, poled PVDF-TrFE-CFE thin film shows better ferroelectric properties having Pr ≈0.4 and Ps ≈5.7µCcm-2 at an applied electric field of 200 MVm-1 compared to unpoled thin films having Pr ≈0.4 and Ps ≈4.1µCcm-2. The storage energy efficiency of unpoled and poled P(VDF-TrFE-CFE) thin films is measured to be ≈75% and 80%. Annealing of ferroelectric P(VDF-TrFE) polymer thin films under an electric field demonstrates improved ferroelectric and electroactive properties.

Compatibility and performance study of electrohydrodynamic printing using zinc oxide inkjet ink

The demand for modern electronics and semiconductors has increased throughout the years, which has enabled the innovation and exploration of solution-processed deposition. Solution-based processes have gained a lot of interest due to the low-cost fabrication and the large fabrication areas without the need for high-vacuum equipment. In this study, we utilized the ZnO ink for inkjet printer ink to fabricate a thin film via Electrohydrodynamic printing. Three different ink solutions were prepared for experimentation. The EHD printing technique demonstrated the ink’s compatibility with and without the modifications. The outcomes of the EHD printed materials were comparable with the spin-coated thin films. The EHD-printed films demonstrated better results in comparison to spin-coated films. Ra and Rq of the EHD film measured at 3.651 nm and 4.973 nm, respectively. It improved the absorbance up to two-fold at 360 nm wavelength and electrical conductivity up to 40% compared to the spin-coated films. Furthermore, the optimization of the printing parameters can lead to the improved morphology and thickness of the EHD thin films.

Friction Force Mapping of Molecular Ordering and Mesoscopic Phase Transformations in Layered-Crystalline Organic Semiconductor Films.

It is critical to understand molecular ordering processes in small-molecule organic semiconductor (OSC) films in optimizing electronic device applications, although it is difficult to observe and investigate the ordering characteristics at a mesoscopic or device scale. Here, we report that friction force microscopy (FFM) allows visualizing the ordering transformation process from a thermodynamically metastable phase to a stable phase at a mesoscopic scale. We utilized 2-octyl-benzothieno[3,2-b]naphtho[2,3-b]thiophene (2-C8-BTNT) as a typical highly layered-crystalline OSC. We found that the friction force between an AFM tip and spin-coated OSC films significantly depends on whether local film states are in metastable monolayer phase or stable bilayer-type herringbone (b-LHB) phase that exhibits high carrier mobility. The formation of the stable b-LHB phase leads to lower friction than the metastable monolayer phase, clearly visualizing the molecular order. Force map (Fmap) analysis indicates that the lower friction in the b-LHB phase should be associated with the reduction of interfacial adhesion force. Notably, the observed results demonstrate that the spin-coated thin film changes from continuous film with the monolayer phase to rugged microcrystal grains with the b-LHB phase when left at ambient conditions. By contrast, an appropriate post-thermal annealing process facilitates the phase transformation without inducing such morphological changes. The technique provides a unique and effective tool for revealing the relationship between processing conditions and device performance in polycrystalline OSC films.

Determining Structures of Layer-by-Layer Spin-Coated Zinc Dicarboxylate-Based Metal-Organic Thin Films.

Thin films of crystalline solids with substantial free volume built from organic chromophores and metal secondary building units (SBUs) are promising for engineering new optoelectronic properties through control of interchromophore coupling. Zn-based SBUs are especially relevant in this case because they avoid quenching the chromophore's luminescence. We find that layer-by-layer spin-coating using Zn acetate dihydrate and benzene-1,4-dicarboxylic acid (H2BDC) and biphenyl-4,4'-dicarboxylic acid (H2BPDC) linkers readily produces crystalline thin films. However, analysis of the grazing-incidence wide-angle X-ray scattering (GIWAXS) data reveals the structures of these films vary significantly with the linker, and with the metal-to-linker molar ratio used for fabrication. Under equimolar conditions, H2BPDC creates a type of structure like that proposed for SURMOF-2, whereas H2BDC generates a different metal-hydroxide-organic framework. Large excess of Zn2+ ions causes the growth of layered zinc hydroxides, irrespective of the linker used. Density functional theory (DFT) calculations provide structural models with minimum total energy that are consistent with the experimentally observed diffractograms. In the broader sense, this work illustrates the importance in this field of careful structure determination, e. g., by utilizing GIWAXS and DFT simulations to determine the structure of the obtained crystalline metal-organic thin films, such that properties can be rationally engineered and explained.

Physiochemical and electrical activities of nano copper oxides synthesised via hydrothermal method utilising natural reduction agents for solar cell application

Abstract The aim of this study is to explore the potential compatibility of copper oxide nano-powders synthesised via hydrothermal method for solar cell applications by triggering a reaction between copper acetate and various reducing agents derived from natural resources, including Arabic gum, molasses, starch, and vinegar. X-ray diffraction analysis revealed the crystalline phases of the synthesised materials, indicating the successful synthesis of copper oxide material, which was confirmed by identifying patterns that matched specific copper oxide phases. Fourier transform infrared spectroscopy was employed to analyse the molecular vibrations and chemical compounds present in the reducing agents. The reducing properties of the selected materials and their capacity to convert copper acetate into copper oxide were validated. Field-emission microscopy and transmission electron microscopy analyses of the synthesised copper oxide nanoparticles (NPs) revealed variations in particle size and morphology. These variations were dependent on the particular reducing agent utilised during synthesis. Moreover, the carrier concentration, mobility, and resistivity were evaluated as the electrical properties of the spin-coated copper oxide thin films. Hall effect analysis determined that the choice of reducing agent significantly influenced the carrier concentration (n) and mobility (µ) of the films. Remarkably, nano copper oxide films synthesised using starch exhibited irregular spherical grains with porous surfaces. Starch-synthesised samples showed the highest conductivity of n = 1.2 × 1019 cm−3 when compared with those synthesised with other reducing agents. This suggests that the porous surfaces in the starch-synthesised films may have contributed to their enhanced conductivity compared to films synthesised with alternative reducing agents. In summary, the findings emphasised the influence of the reducing agent on the size, morphology, and electrical conductivity of the copper oxide NPs.

Boost the Circularly Polarized Phosphorescence of Chiral Organometallic Platinum Complexes by Hierarchical Assembly into Fibrillar Networks.

Circularly polarized luminescence (CPL)-active molecular materials have drawn increasing attention due to their promising applications for next-generation display and optoelectronic technologies. Currently, it is challenging to obtain CPL materials with both large luminescence dissymmetry factor (glum) and high quantum yield (Φ). A pair of enantiomeric N N C-type Pt(II) complexes (L/D)-1 modified with chiral Leucine methyl ester are presented herein. Though the solutions of these complexes are CPL-inactive, the spin-coated thin films of (L/D)-1 exhibit giantly-amplified circularly polarized phosphorescences with |glum| of 0.53 at 560 nm and Φair of ~50 %, as well as appealing circular dichroism (CD) signals with the maximum absorption dissymmetry factor |gabs| of 0.37-0.43 at 480 nm. This superior CPL performance benefits from the hierarchical formation of crystalline fibrillar networks upon spin coating. Comparative studies of another pair of chiral Pt(II) complexes (L/D)-2 with a symmetric N C N coordination mode suggest that the asymmetric N N C coordination of (L/D)-1 are favorable for the efficient exciton delocalization to amplify the CPL performance. Optical applications of the thin films of (L/D)-1 in CPL-contrast imaging and inducing CP light generation from achiral emitters and common light-emitting diode lamps have been successfully realized.

Spin-coated high mobility MoO3 thin film for designing highly efficient lead-free perovskite solar cells

Among the thin film-photovoltaics, perovskite solar cells (PSCs) are one of the most developing topics of research in recent times. Research records reveal that around 26 % efficiency in PSCs has already been achieved so far. However, the commercialization of those PSCs is hindered due to the toxicity of lead (Pb), and the instability of organic cations as well as structural volatility. Several inorganic materials including inorganic hole transport layer (HTL) have recently been proposed and developed to reduce the organic part in the device structure. We fabricate MoO3 thin film materials and conduct a detailed study to realize the potential of MoO3 as a unique HTL for application in PSCs. The synthesis of MoO3 thin film includes several characterization techniques e.g. XRD, FESEM, EDX, UV–Vis, and Hall Effect measurement. We design a MoO3 thin film-based, lead-free PSC structure of FTO/MoO3/PTAA/(FA)2BiCuI6/ZnO/Ag and perform numerical analysis using the SCAPS-1D simulation tool. In the device simulation process, we use the experimentally obtained optoelectrical properties of the MoO3 film and achieve a maximum efficiency of around 22.28 % in a contained lead-free PSC.