Charge Carrier Transport Research Articles

Analytical Model for Current-Voltage Characteristics in Perovskite Solar Cells Incorporating Bulk and Surface Recombination.

The effects of surface recombination on the steady-state carrier profiles and photocurrent in perovskite solar cells are investigated in this paper. The continuity equations for both holes and electrons are solved considering carrier drift and diffusion under the exponential carrier generation profile in the perovskite layer and considering both bulk and interface carrier recombination. An analytical expression for the solar-induced photocurrent is derived. The rate of carrier recombination at the interfaces has a very significant effect on the carrier profile, photocurrent, and, hence, on the charge collection efficiency. The external current density is calculated considering the dark current and nominal solar spectrum-induced photocurrent. The proposed model is fitted and verified with published experimental results from various publications. The fittings of the model with experimental results provide information about the interface and bulk charge carrier transport parameters.

Judicious Fluorination of Perovskite Quantum Wells Enables Over 25% Efficiency in Inverted Solar Cells

AbstractThe photovoltaic performance of inverted perovskite solar cells (PSCs) is often hindered by trap‐induced non‐radiative recombination and photochemical degradation occurring at the upper interfaces and the grain boundaries of perovskite films. Herein, ortho‐, meta‐, and para‐isomers of fluorophenylethylammonium iodine (F‐PEAI) organic spacer molecules are evaluated for the construction of perovskite quantum wells (2D or quasi‐2D, PQWs) to encapsulate 3D perovskites. Among the three variants, p‐F‐PEAI leads to the most symmetric charge distribution and the weakest steric hindrance which resulting in reinforced interactions with PbI2 and perovskite, the enhanced out‐of‐plane orientation is confirmed by Grazing incidence wide‐angle X‐ray scattering (GIWAXS) results. Density functional theory and crystal orbital Hamilton population (COHP) calculations further confirm that p‐F‐PEAI engages most strongly with the perovskite structure. Moreover, transmission electron microscopy (TEM) characterization is used to illustrate that p‐F‐PEAI‐assisted 2D PQWs effectively passivate both the grain boundaries and surfaces of perovskites. This configuration facilitates effective surface passivation, improves charge carrier transport, and significantly suppresses non‐radiative recombination. The resultant inverted PSCs achieve an excellent power conversion efficiency (PCE) of 25.03% with a fill factor (FF) of 85.11%. The unencapsulated devices exhibit enhanced long‐term stability under ambient environments and continuous light illumination.

Charge carrier controlled free radical construction efficient photocatalytic self-Fenton system

The photocatalytic self-Fenton technology has demonstrated unique advantages in the low-cost and efficient removal of environmental pollutants. Designing an efficient photocatalytic self-Fenton system (PSFs) to enhance the synergistic effect between photocatalytic H2O2 production and pollutant mineralization processes, as well as understanding the regulatory mechanism of free radical reactions in this process, are crucial for advancing this technology. In this study, an efficient PSFs was developed by coating COFs (TpPa-1) onto the surface of MXene (Ti3C2). Under visible light irradiation, the generation rate of H2O2 reached 983.9 μmol·g−1·h−1, which is 9 times that of pure TpPa-1. Additionally, this led to a significant increase in the removal rate of sulfamethoxazole (SMX) from 25 % to 92 % within 100 min. Photoelectrochemical tests and density functional theory (DFT) calculations confirmed that the incorporation of Ti3C2 not only facilitates efficient charge carrier transport but also enhances the generation of hydroxyl radicals (·OH) and the production of H2O2, thereby improving the photocatalytic self-Fenton removal efficiency of SMX. This research is expected to have a positive impact on the development of efficient PSFs.

Efficient photocatalytic hydrogen evolution by in situ construction of Nb4+ charge-carrier channels in hollow porous tubular C3N4 and Nb2O5 Z-scheme heterojunctions

Optimizing heterojunction structure is an important way to improve photocatalytic activity. Herein, we report a novel hollow tubular C3N4/Nb4+/Nb2O5 nanoparticle Z-Scheme heterojunction, by introducing Nb4+ ions into Nb2O5 through a reducing atmosphere during C3N4 thermal polymerization. The optimized heterostructure showed outstanding photocatalytic hydrogen evolution activity under both UV–vis (14.93 mmol g−1 h−1) and Vis (5.22 mmol g−1 h−1) lights. The photocatalytic hydrogen evolution activity under UV–vis light is 26.6 and 4.75 times that of bulk C3N4 (CN) and hollow tubular C3N4 (HCN), respectively. The increased photocatalytic activity can be attributed to the larger specific surface area, more active sites, and enhanced light absorption capacity of the composite. Crucially, the introduction of Nb4+ ions as the charge-carrier transport channels in the Z-scheme heterostructure improves the efficiency of photogenerated charge-carrier separation. This study provides a useful design strategy for Z-Scheme photocatalytic heterojunction structures that can utilize solar light more efficiently.

Temperature-induced activation and reversal of the relativistic ratchet currents on a graphene chip model

We investigate a monolayer graphene chip’s relativistic ratchet current (RRC). Our findings indicate that thermal noise can paradoxically amplify the RRC, in contrast to its conventional inhibitory role. Under noise, temperature (T) activation of the RRC remains stable over a broader range of T values, and an increased number of RRCs reversals are observed as a function of T and relevant parameters of the external electric field. The results regarding structural changes and symmetry breaking of the dissipative attractors can be understood. The observed activation and reversal of RRCs under a variation of external parameters unveil the diverse and complex behavior of the charge carrier transport on the graphene chip. Understanding this behavior allows for generating specific RRCs values, properties and effects for the charge carriers, offering a variety of possibilities for application and control of the graphene chip device.

The Influence of Electrolytes on the Performance of Self-Powered Photoelectrochemical Photodetector Based on α-Ga2O3 Nanorods.

Photodetectors have a wide range of applications across various fields. Self-powered photodetectors that do not require external energy have garnered significant attention. The photoelectrochemical type of photodetector is a self-powered device that is both simple to fabricate and offers high performance. However, developing photoelectrochemical photodetectors with superior quality and performance remains a significant challenge. The electrolyte, which is a key component in these detectors, must maintain extensive contact with the semiconductor without degrading its material quality and efficiently catalyze the redox reactions of photogenerated electrons and holes, while also facilitating rapid charge carrier transport. In this study, α-Ga2O3 nanorod arrays were synthesized via a cost-effective hydrothermal method to achieve a self-powered solar-blind photodetector. The impacts of different electrolytes-Na2SO4, NaOH, and Na2CO3-on the photodetector was investigated. Ultimately, a self-powered photodetector with Na2SO4 as the electrolyte demonstrated a stable photoresponse, with the maximum responsivity of 0.2 mA/W at 262 nm with the light intensity of 3.0 mW/cm2, and it exhibited rise and decay times of 0.16 s and 0.10 s, respectively. The α-Ga2O3 nanorod arrays and Na2SO4 electrolyte provided a rapid pathway for the transport of photogenerated carriers and the built-in electric field at the semiconductor-liquid heterojunction interface, which was largely responsible for the effective separation of photogenerated electron-hole pairs that provided the outstanding performance of our photodetector.

A High-Mobility n-Type Noncovalently-Fused-Ring Polymer for High-Performance Organic Thermoelectrics.

Conjugated polymers are emerging as competitive candidates for organic thermoelectrics (OTEs). However, to make the device truly pervasive, both p- and n-type conjugated polymers are essential. Despite great efforts, no n-type equivalents to the p-type benchmark PEDOT:PSS exist to date mainly due to the low electrical conductivity (σ). Herein, a near-amorphous n-type conjugated polymer, namely pDFSe, is reported with high σ by achieving the synergy between charge transport and doping efficiency. The polymer pDFSe is synthesized based on an acceptor-triad moiety of diketopyrrolopyrrole-difluorobenzoselenadiazole-diketopyrrolopyrrole (DFSe), which has the noncovalently-fused-ring structure to reinforce the backbone rigidity. Furthermore, an axisymmetric thiophene-selenophene-thiophene donor is introduced, which enables the formation of near-amorphous microstructures. The above merits ensure good doping efficiency without scarifying efficient intrachain charge-carrier transport. Thus, pDFSe-based n-type transistors exhibit high electron mobility up to 6.15 cm2 V-1 s-1, much higher than its reference polymer pDSe without the noncovalently-fused-ring structure (0.77 cm2 V-1 s-1). Further upon n-doping, pDFSe demonstrates excellent σ of 62.6 S cm-1 and maximum power factor of 133.1 μW m-1 K-2, which are among the highest values reported for solution-processed n-type polymers. The results demonstrate the great potential of near-amorphous n-type conjugated polymers with noncovalently-fused-ring structure for the next-generation OTEs.

Enhancing lead-free photovoltaic performance: Minimizing buried surface voids in tin perovskite films through weakly polar solvent pre-treatment strategy

Buried interfacial voids have always been a notorious phenomenon observed in the fabrication of lead perovskite films. The existence of interfacial voids at the buried interface will capture the carrier, suppress carrier transport efficiencies, and affect the stability of photovoltaic devices. However, the impact of these buried interfacial voids on tin perovskites, a promising avenue for advancing lead-free photovoltaics, has been largely overlooked. Here, we utilize an innovative weakly polar solvent pre-treatment strategy (WPSPS) to mitigate buried interfacial voids of tin perovskites. Our investigation reveals the presence of numerous voids in tin perovskites during annealing, attributed to trapped dimethyl sulfoxide (DMSO) used in film formation. The WPSPS method facilitates accelerated DMSO evaporation, effectively reducing residual DMSO. Interestingly, the WPSPS shifts the energy level of PEDOT:PSS downward, making it more aligned with the perovskite. This alignment enhances the efficiency of charge carrier transport. As the result, tin perovskite film quality is significantly improved, achieving a maximum power conversion efficiency approaching 12% with only an 8.3% efficiency loss after 1700 h of stability tests, which compares well with the state-of-the-art stability of tin-based perovskite solar cells.

Stabilizing Lead Halide Perovskites via an Organometallic Chemical Bridge for Efficient and Stable Photovoltaics.

Defects around the surface and grain boundaries of perovskite films normally cause severe nonradiative recombination and imbalanced charge carrier transport, further limiting both the efficiency and stability of perovskite solar cells (PSCs). To tackle this critical issue, we propose a chemical bridge strategy to reconstruct the interface using organometallic molecules. The commercially available molecule bis(diphenylphosphino)ferrocene (FcP2), with a unique bridge molecular structure, anchors and chelates Pb atoms by forming strong Pb-P bonds and further passivates both surfaces and grain boundaries. Detailed characterization revealed that bridge molecule FcP2 reconstruction can effectively suppress nonradiative recombination, and the electron delocalization properties of the ferrocene core can further achieve more balanced interfacial carrier transport. The resultant N-i-P PSC device outputs close to 25% efficiency together with one of the best reported operational stabilities, maintaining over 95% of the initial efficiency after 1000 h of continuous operation at the maximum power point under 1-sun illumination.

Band Engineering of Perovskite Quantum Dot Solids for High-Performance Solar Cells.

CsPbI3 perovskite quantum dot (PQD) shows high potential for next-generation photovoltaics due to their tunable surface chemistry, good solution-processability and unique photophysical properties. However, the remained long-chain ligand attached to the PQD surface significantly impedes the charge carrier transport within the PQD solids, thereby predominantly influencing the charge extraction of PQD solar cells (PQDSCs). Herein, a ligand-induced energy level modulation is reported for band engineering of PQD solids to improve the charge extraction of PQDSCs. Detailed theoretical calculations and systemic experimental studies are performed to comprehensively understand the photophysical properties of the PQD solids dominated by the surface ligands of PQDs. The results reveal that 4-nitrobenzenethiol and 4-methoxybenzenethiol molecules with different dipole moments can firmly anchor to the PQD surface through the thiol group to modulate the energy levels of PQDs, and a gradient band structure within the PQD solid is subsequently realized. Consequently, the band-engineered PQDSC delivers an efficiency of up to 16.44%, which is one of the highest efficiencies of CsPbI3 PQDSCs. This work provides a feasible avenue for the band engineering of PQD solids by tuning the surface chemistry of PQDs for high-performing solar cells or other optoelectronic devices.

Organic solar cell efficiency improvement through architecture engineering by integrating carbon nanoring – SCAPS 1D modelling

This research work aims to investigate on improving the performance of organic solar cells (OSC) by proposing new architectures that progressively integrate carbon nanotubes. This contribution takes into account the exceptional properties of carbon nanotubes (CNT) highlighted in recent work, with the aim of addressing the current challenges of materials used in the manufacture of conventional OSCs, such as reactivity with the ambient medium, stability over time, better transport of charge carriers, etc. Using a reference OSC cell with the following structure: PEDOT/BHJ/PDINO and the numerical one-dimensional simulation tool SCAPS, which helps in validating the modelling approach, we gradually replace each layer with a CNT-based material exhibiting superior properties. In this respect, we carry out calculations on the different cells architectures, to better visualize energy-level alignment profiles, the different current-voltage (J-V), and quantum efficiency (QE) characteristics. Approaches toward efficiency improvement were discussed, by investigating the effects of active layer thickness, the doping level, the charge carriers mobility, defect density, and external parameters such as temperature. After numerous calculations and modelling, very promising results were finally achieved with a full CNT-based solar structure with the following recorded performances: VOC=0.87V, JSC=27.81mA/cm2, FF=80.91%, and PCE=19.63%. These results are the first theoretical report for a complete CNT-based modelled OSC and, given the reliability and robustness of the approach adopted, they can be considered as relevant for future theoretical and experimental work. The integration of CNT as functional layers is a remarkable step forward in OSC architectures engineering for efficiency enhancement. CNT are good candidates for light harvesting applications.

Carbohydrate-based block copolymers with sub-10 nm face-centered cubic nanostructures for low-power-consuming and ultraviolet light-triggered synaptic phototransistors

Addressing environmental concerns and producing sustainable and environmentally friendly electronic devices with low power consumption poses a significant challenge. This study introduces phototransistor devices employing morphologically controlled block copolymers based on maltotriose, maltoheptaose, and β-cyclodextrin as polymer electrets. Ordered self-assembled morphologies can be achieved by utilizing microwave radiation for rapid annealing (within 5 s) with optimized annealing conditions. Herein, face-centered cubic (FCC), vertical, and mixed cylindrical nanostructures are reported. The resulting well-defined morphologies play a pivotal role in enhancing the electron-trapping capability of the block copolymers and facilitating charge carrier transport between the electret and semiconducting layers. Consequently, the phototransistor memory manifests exceptional performance, featuring stability and endurance. Intriguingly, the cavity of β-cyclodextrin provides a stable environment for the trapped charges, leading to a larger memory window than other block copolymers. On the other hand, a device consisting of MT-b-PS exhibited superior current contrast exceeding 106 even under a low drain voltage of −1 V, attributed to sub-10 nm FCC nanostructures. Furthermore, this phototransistor device successfully emulated the synaptic functions of sensing, learning, and short- and long-term memory in the human brain, along with a low energy consumption of 0.312 fJ. Hence, this report opens the pathways for developing promising bio-based electronic devices.

Staggered band alignment of n-Er2O3/p-Si heterostructure for the fabrication of a high-performance broadband photodetector

The low responsivity of conventional Silicon photodiodes in ultraviolet and near-infrared regimes restricts their utility as broadband photodetectors (BBPDs). Despite ongoing investigations into various p-n heterostructures for Silicon-based BBPDs, challenges such as high dark current (Idark), low collection efficiency, low detectivity, and compatibility issues with large-scale Silicon-based devices persist. In this context, we have fabricated relatively unexplored n-Er2O3/p-Si heterojunction-based BBPDs. Polycrystalline Er2O3 thin films (∼110 nm) were deposited on p-Si 〈100〉 substrates by radio frequency magnetron sputtering. Although this process induces a microstrain of approximately 0.022 and a dislocation density of about 0.00303/nm2, the presence of optically active defects is minimal, indicated by a low Urbach energy (∼0.35 eV). X-ray photoelectron spectroscopy (XPS) analysis confirms staggered band alignment at the heterointerface, facilitating efficient charge carrier separation and transport. Consequently, the In/p-Si/n-Er2O3/In device demonstrated significant BBPD properties– low Idark ∼0.15 μA (at +5 V), photo-to-dark current ratio (PDCR) ∼6.5 (at +5 V, 700 nm) with a maximum photoresponsivity ∼22.3 A W−1, and impressive detectivity (∼1013 Jones) even in UV-C region where traditional silicon-based photodetectors respond feebly. The device also demonstrates transient photo-response across an ultrawide spectrum (254 nm–1200 nm) with a fast rise time/fall time ∼79 ms/∼86 ms (at −5 V for 600 nm illumination). This work establishes a straightforward and reliable method for proper material engineering, surface texturing, staggered heterojunction formation, and high-performance BBPD fabrication with prominent broad-spectrum responsivity, sizeable detectivity, and fast response. The integration of these BBPDs with Silicon opens possibilities for their use in electronic devices containing optical switches for communications and broadband image sensors, enhancing their utility in various applications.

Rapid Estimation of the Intermolecular Electronic Couplings and Charge-Carrier Mobilities of Crystalline Molecular Organic Semiconductors through a Machine Learning Pipeline.

Organic semiconductors (OSC) offer tremendous potential across a wide range of (opto)electronic applications. OSC development, however, is often limited by trial-and-error design, with computational modeling approaches deployed to evaluate and screen candidates through a suite of molecular and materials descriptors that generally require hours to days of computational time to accumulate. Such bottlenecks slow the pace and limit the exploration of the vast chemical space comprising OSC. When considering charge-carrier transport in OSC, a key parameter of interest is the intermolecular electronic coupling. Here, we introduce a machine learning (ML) model to predict intermolecular electronic couplings in organic crystalline materials from their three-dimensional (3D) molecular geometries. The ML predictions take only a few seconds of computing time compared to hours by density functional theory (DFT) methods. To demonstrate the utility of the ML predictions, we deploy the ML model in conjunction with mathematical formulations to rapidly screen the charge-carrier mobility anisotropy for more than 60,000 molecular crystal structures and compare the ML predictions to DFT benchmarks.

Homogenizing The Low-Dimensional Phases for Stable 2D-3D Tin Perovskite Solar Cells.

2D-3D tin-based perovskites are considered as promising candidates for achieving efficient lead-free perovskite solar cells (PSCs). However, the existence of multiple low-dimensional phases formed during the film preparation hinders the efficient transport of charge carriers. In addition, the non-homogeneous distribution of low-dimensional phases leads to lattice distortion and increases the defect density, which are undesirable for the stability of tin-based PSCs. Here, mixed spacer cations [diethylamine (DEA+) and phenethylamine (PEA+)] are introduced into tin perovskite films to modulate the distribution of the 2D phases. It is found that compared to the film with only PEA+, the combination of DEA+ and PEA+ favors the formation of homogeneous low-dimensional perovskite phases with three octahedral monolayers (n=3), especially near the bottom interface between perovskite and hole transport layer. The homogenization of 2D phases help improve the film quality with reduced lattice distortion and released strain. With these merits, the tin PSC shows significantly improved stability with 94% of its initial efficiency retained after storing in a nitrogen atmosphere for over 4600h, and over 80% efficiency maintained after continuous illumination for 400h.

Giant photoelectric energy conversion via a 3C-SiC Nano-Thin film double heterojunction

Enhancing the energy conversion efficiency is utmost important in renewable energy and self-powered optoelectronic sensing applications. In this study, we propose the concept of a p-3C-SiC nano-thin film/p-Si/n-Si double junction (DJ) structure, which exhibits a massive photoelectric energy conversion efficiency and ultra-high sensitivity of optoelectronic sensors. The optoelectronic characteristics of this DJ heterostructure are compared to those of a p-3C-SiC/n-Si single-junction (SJ) heterostructure, which shares similarities in all technical and material parameters, except for the inclusion of the middle p-Si layer in the DJ structure. The experimental results reveal that the lateral photocurrent, sensitivity, theoretical power and maximum power of the DJ structure are more than 100 times (i.e. over 10,000%) greater than those of the SJ structure. We then demonstrated these excellent features of DJ heterostructure through developing of a self-powered position sensitive sensor, which showed an ultrahigh sensitivity. The enormous enhancement in the performance has been elucidated through the efficient photogeneration of charge carriers, electron-hole pair splitting, and the improved charge carrier transport mechanisms in the double heterojunction. This research represents a notable breakthrough in ultra-sensitive optoelectronic sensors and photoenergy conversion, since the proposed concept and theoretical model can be extended to multiple junctions of various semiconductor materials.

Deeper Insight into the Mechanisms Behind Sputter Damage in Silicon Solar Cells Based on the Example of Nanocrystalline Silicon Carbide

AbstractTransparent conducting oxides, like indium tin oxide, enable lateral charge carrier transport in silicon heterojunction solar cells. However, their deposition can damage the passivation quality in the solar cell. This damage during the sputter deposition is a complex issue that has not been fully understood, particularly in various silicon‐based materials like amorphous silicon, polycrystalline silicon, or nanocrystalline silicon carbide. The degradation in passivation quality observed in, for example, amorphous silicon is not only explainable by UV light degradation. This study explores the origin of this degradation based on the example of hydrogenated nanocrystalline silicon carbide by combining simulations with experimental analyses. It delves into potential sources of damage during the sputtering process and determines that neither primary nor secondary effects from plasma luminescence or electron bombardment are likely contributors to the damage. Similarly, the implantation of ions, as well as the creation of vacancies and ionization of lattice atoms, are also considered improbable causes. It is, however, proposed that the transfer of energy to the crystalline silicon interface via phonons can factor into the degradation of the passivation quality. This transfer might be a plausible explanation for the damage observed in the passivation layers during the sputtering process.

Photoexcited charge-carrier transport in monolayer and bulk bismuth oxyiodide: the impact of the polaronic effect and deep-level defects

Bismuth oxyiodide (BiOI), in monolayer and bulk forms, is a lead-free semiconductor material that has sparked increased interest for applications in perovskite solar cells and x-ray detectors. It is vital to clarify the transport nature of photoexcited charge-carriers to improve device performance. However, the transport scattering mechanisms remain poorly understood, and a detailed explanation of the measured charge-carrier mobilities in this material system is still under scrutiny. Herein, we implement transport scattering models that include LO phonon scattering based on the polaronic effect and ionized impurity scattering due to deep-level defects to elucidate photoexcited charge mobilities. We found that large polarons produced by photoexcited charge carriers coupled with LO phonon modes of 86 cm−1 and 156 cm−1 play a key role in the transport process of the BiOI system. Large polaron mobility provides a good explanation for the measured mobilities in single crystal samples between 26–83 cm2V−1s−1 at 295 K. The estimated results from both transport scattering models agree with the temperature-dependent mobilities measured in thin-film samples, between 13 cm2V−1s−1 at 5 K and 3 cm2V−1s−1 at 295 K. This work provides important insights into a band-like transport feature in the BiOI system.

Odd-Even Alkyl Chain Effects on the Structure and Charge Carrier Transport of Two-Dimensional Sn-Based Perovskite Semiconductors.

Oscillations in the chemical or physical properties of materials, composed of an odd or even number of connected repeating methylene units, are a well-known phenomenon in organic chemistry and materials science. So far, such behavior has not been reported for the important class of materials, perovskite semiconductors. This work reports a distinct odd-even oscillation of the molecular structure and charge carrier transport properties of phenylalkylammonium two-dimensional (2D) Sn-based perovskites in which the alkyl chains in the phenylalkylammonium cations contain varying odd and even carbon numbers. Density functional theory calculations and grazing-incidence wide-angle X-ray scattering characterization reveal that perovskites with organic ligands containing an alkyl chain with an odd number of carbon atoms display a disordered crystal lattice and tilted inorganic octahedra accompanied by reduced mobilities. In contrast, perovskites with cations of an even number of carbon atoms in the alkyl chain form more ordered crystal structures, resulting in improved charge carrier mobilities. Our findings disclose the importance of minor changes in the molecular conformation of organic cations have an effect on morphology, photophysical properties, and charge carrier transport of 2D layered perovskites, showcasing alkyl chain engineering of organic cations to control key properties, of layered perovskite semiconductors.

Reinforcing the photocatalytic removal of ibuprofen antibiotic over S-scheme 2D/1D Bi12O17Cl2/V2O5 heterojunction under solar light illumination

In our work, the Bi12O17Cl2/V2O5 hybrid with a favorable S-scheme mechanism was prepared via a simple self-assembly procedure for ibuprofen (IBF) oxidation under solar light energy. The 2D Bi12O17Cl2 provides abundant active sites to immobilize 1D V2O5 nanorods, enhancing the interaction between two semiconductors. The establishment of the 2D/1D structure reflected a positive effect on the surface area of Bi12O17Cl2/V2O5-10 %, which was linked to the reduction in the aggregation rate of V2O5 nanorods. Amazingly, optimal Bi12O17Cl2/V2O5 photocatalysts achieved exceptional IBF degradation capacities of 88.6 % and 71.3 % under LED and direct solar light irradiation, respectively. Among the samples, the optimized Bi12O17Cl2/V2O5-10 % reflected the best IBF oxidation kinetic with a reaction constant of 0.03894 min− 1, which is stronger than pristine Bi12O17Cl2 (0.00885 min− 1) and V2O5 (0.0119 min− 1) by 4.4 and 3.27 times, respectively. The promoted catalytic activity was correlated to the S-scheme heterojunction between Bi12O17Cl2 and V2O5 that could upgrade the solar light absorbance, facilitate the separation and transportation of charge carriers, and strengthen the redox potential of Bi12O17Cl2/V2O5. Furthermore, the parameters revealed the best IBF treatment at a catalyst dosage of 0.6 g/L and a pH value of 7. Besides, Bi12O17Cl2/V2O5-10 % recorded outstanding catalytic stability in six cycles without notable alteration in its structure, morphology, or optical properties. On the other hand, the radical quenching tests declared that •O2− and •OH play major contributions in IBF photooxidation over Bi12O17Cl2/V2O5-10 %. Finally, our work offers vital guidance towards designing robust bismuth-based heterojunctions for efficient degradation of IBF antibiotics in a sustainable and cost-effective strategy.