Nanocomposite Photocatalyst Research Articles

Innovations in nanocomposite photocatalysts for CO2 to CH3OH conversion

Nowadays, the excessive use of fossil fuels has led to a global energy shortage and exacerbated the greenhouse effect.

Construction of novel dual Z-scheme heterojunction of ternary CdS/g-C3N4/NiFe2O4 magnetically retrievable nanocomposite for boosted photocatalytic and energy storage applications

A novel CdS/g-C3N4/NiFe2O4 (CGN) ternary nanocomposite photocatalyst was rationally developed via a simple wet-impregnation technique. Looking at the band structure of the components of the catalyst, a novel dual Z-scheme heterojunction can be successfully developed, generating more active sites that rapidly encourage the separation of the photo-generated species, contributes to preventing the aggregation of the synthesized nanocomposite, and enhance the light absorption efficiency. Remazol Brilliant Blue R (RBBR) was photocatalytically degraded by the nanocomposite in the presence of visible light to assess its photocatalytic effectiveness. The CGN 2 ternary nanocomposite had the maximum photocatalytic activity (96 %) if compared to the other prepared photocatalysts, as the rate of degradation of pure CdS, CdS/g-C3N4, CGN 1, and CGN 3 nanocomposites were only around 53.4, 85, 87.5, and 92 %, respectively, keeping the irradiation time. Based on trapping tests, •OH, •O2− and h+ radicals are the main active species that play a vital role in the photocatalytic oxidation process. Even after the fourth cycle, the CGN 2 composite remained efficient in the successive photocatalytic degradation of RBBR , maintaining over 91 % of its first degradation efficiency. The CdS/g-C3N4/NiFe2O4 nanocomposite revealed outstanding cycling stability due to its inherent magnetic property, making it a promising choice as a visible light photocatalyst. The electrochemical energy-storage behavior of CGN 2 as active electrode material exhibited a remarkable specific capacitance of 195 F g−1 (67 C g−1) at 1 A g−1. It delivered an outstanding cycling stability of 91 % capacity retention after 2000 charge–discharge cycles. The obtained remarkable results indicate that the CGN 2 nanocomposite is a promising active electrode material for high-performance energy-storage supercapacitors.

W–N heteroatom-interface in melon carbon nitride/N-doped tungsten oxide Z-Scheme photocatalyst toward improved photocatalytic hydrogen generation activity

The construction of heterointerface in photocatalyst is an efficient approach to boost the separation and utilization efficiency of charge carriers, which is challenging and crucial in photocatalysis. Here, the construction of melon-structured carbon nitride/N-doped WO3 (MCN/NWx) heterojunction photocatalyst was achieved by a method of prealcoholysis combined with thermal polymerization, where N-doping of WO3 was achieved in-situ in the formation of heterojunction. The promoted charge separation efficiency was realized through the charge transfer from the conduction band of N-doped WO3 to the valence band of the MCN. Density functional theory calculation results showed that the formation of the W–N heteroatom-interface led to the increase of density of states at the heterointerface and decrease of the band gap. The MCN/NWx nanocomposite featured a metallic band structure of the nanocomposite photocatalysts, resulting in the enhanced photocatalytic activity. The photocatalytic hydrogen evolution activity of the MCN/NW2 was enhanced about 2.5 times than that of MCN. This research provides a novel insight into the construction of a novel heteroatom-junction that boosts the separation efficiency of charge carriers, and thereby improves the photocatalytic activity.

Photodeposition of highly dispersed MoS2 nanosheets on CdS nanorods with enhanced photocatalytic activity for reduction of p-nitroaniline to p-phenylenediamine

So far, the significant effect of different assembly methods on the microstructures and photocatalytic properties of MoS2/CdS nanocomposite photocatalysts has rarely been reported. In the study, single-crystalline CdS nanorods (NRs) were prepared by a solvothermal method. MoS2 cocatalyst was decorated on the CdS NRs to obtain MoS2/CdS-PD and MoS2/CdS-HT photocatalysts by an in situ photodeposition (PD) technique and a hydrothermal (HT) method, respectively. Under visible light irradiation, the photocatalytic activity of MoS2/CdS-PD and MoS2/CdS-HT for reduction of p-nitroaniline (p-NA) to p-phenylenediamine (p-PDA) was comparatively studied. Results indicate: i) When MoS2 was attached on CdS NRs by the in situ PD, ultrathin MoS2 nanosheets could be uniformly and tightly tethered to CdS NRs to form core-shell MoS2/CdS-PD composite, whereas MoS2 nanosheets were aggregated to form stacked multilayered structure and loosely coupled to CdS NRs to produce non-core-shell MoS2/CdS-HT by the HT method. ii) MoS2/CdS-PD exhibits higher photocatalytic efficiency for p-NA reduction than MoS2/CdS-HT, which can be ascribed to the fact that the interfacial contact between MoS2 and CdS is more intimate and the electron transfer from CdS to MoS2 is more efficient in MoS2/CdS-PD than that in MoS2/CdS-HT.

Facile preparation of ZnO/TiO2 nanocomposite photocatalysts and study of their photocatalytic performance

Due to its strong photocatalytic activity, chemical stability, resistance to chemical and optical corrosion, and non-toxic qualities, TiO2 has received a lot of attention as a significant semiconductor material. One of the main areas of research in the field of photocatalysis has always been the system made of ZnO, another significant semiconductor, which has stronger physical and chemical characteristics and photocatalytic activity than TiO2 and ZnO alone.The performance of the photocatalysts can be optimized by adjusting the ratio of the components in the complexes. It was found that the catalytic activity of the particulate ZnO nano photocatalysts could be improved by trace TiO2 addition and high TiO2 concentration in the complex, with higher degradation efficiency for methyl orange under simulated solar illumination. The enhanced performance was attributed to the high photogenerated electron-hole separation rate caused by the increased surface oxygen vacancy defects and the enhanced interfacial charge transfer of the pluralistic heterojunction structure. In addition, there is a certain selectivity of ZnO and TiO2 for the photocatalytic degradation of methylene blue and methyl orange, which is related to the charged nature of the catalyst surface and the ionic nature of the pollutant molecules. The inhibitor studies revealed that the degradation reactions of methylene blue and methyl orange involved the active species hydroxyl radicals, superoxide radicals, and photogenerated holes formed on the catalyst surface, with superoxide radicals dominating the methyl orange reaction. The produced photocatalysts' great stability was validated by cycling experiments. Further research on the impact of catalyst dosage and pH of the contaminant solution on the photocatalytic performance of the catalysts revealed that an increase in catalyst dosage resulted in a greater number of active sites for contaminant molecules and incident light, which increased the efficiency of contaminant degradation. In an alkaline environment, the efficiency of the catalyst for photodegradation of pollutants was significantly increased due to the high concentration of strongly oxidizing hydroxyl radicals contained in the alkaline solution.

Supercharging green chemistry: Unleashing 1, 4‐NADH regeneration and unprecedented C(sp3)‐F bond activation via NiS‐NiO/S‐g‐C3N4 nanocomposite photocatalyst under solar light

AbstractFluorinated and enzymatic chemicals are widely used in society due to their chemical, physical, and biological qualities. Nevertheless, despite their vital importance, present approaches to adding fluorine to molecules and regenerating enzyme cofactors have serious flaws. For instance, numerous approaches are photocatalytic and employ stoichiometric counterparts of heavy metals. Prevailing photocatalytic approaches, on the other hand, show very poor activity, and selectivity has not been attained by heterogeneous photocatalysis, despite the several benefits such a method would provide. Here, we show how heterogeneous photocatalysis may be used to selectively create C(sp3)‐F bonds and 1,4‐NADH regeneration cofactor. Employing NiS‐NiO/S‐g‐C3N4 nanocomposite photocatalyst as a photocatalyst, NAD+ and Selectfluor as an acceptor and mild fluorine donor, effective 1,4‐NADH regeneration, and decarboxylative fluorination of carboxylic acids can be attained in very short reaction times. Furthermore, NiS‐NiO/S‐g‐C3N4 nanocomposite photocatalyst exhibits outstanding levels of robustness and photo‐catching capacity. These aspects, attached to the mild environment of the reaction scheme, exhibit a breakthrough toward the sustainable cofactor of 1,4‐NADH regeneration and synthesis of fluorinated compounds.

Synthesis and Characterization of TiO2-ZnO Nanocomposite Photocatalyst for the Removal of Basic Violet 14 as an Industrial Dye

Binary nanocomposites are one of the promising photocatalysts for the photodegradation of toxic industrial organic dyes which are used as dying agents in different industries including garments and textiles, leather, paint and varnish industries. For this study, TiO2-ZnO nanocomposites were fabricated by the hydrothermal process; where ZnSO4.7H2O is used as a precursor and TiO2 is used as a supporting material. The prepared TiO2-ZnO nanocomposites were calcined at three distinct temperatures 300 °C, 400 °C, and 500 °C. These composite materials were characterized by Scanning Electron Microscope (SEM), X-Ray Diffraction (XRD), Energy Dispersive X-Ray (EDX), and Fourier Transform Infrared (FTIR) analyzes. Basic Violet 14 (BV14), an industrial dye, was modelled to examine the photocatalytic role of TiO2-ZnO under different experimental setups such as calcined temperatures, catalyst loading, concentrations of the BV14 dye, pH, and light sources. TiO2-ZnO prepared at 500 °C acted as the best photocatalyst among three nanocomposites and the prepared TiO2-ZnO worked better than solitary TiO2 and ZnO to decolorize the BV14 dye. In the presence of sunlight, UV light, and visible light the percentages of degradation of BV14 were found to be 81.78 %, 69.58 %, and 31.24 %, respectively. The maximum photodegradation corresponded to 0.175 g/100 mL of suspension of nanocomposite with an initial 3.0×10−5 M of BV14 having solution pH 6.88. The surface reaction constant and Langmuir-Hinshelwood adsorption constant were obtained to be 5.5×10−8 mol.L−1.min−1 and 1.7×108 L.mol−1, respectively. Copyright © 2023 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

E-beam irradiation-induced synthesis of hydroxyethyl cellulose/(Cu2O-rGO)/BiVO4-based nanocomposite for photocatalytic remediation of wastewater under visible light

Using E-beam irradiation as an eco-friendly technique for initiation and crosslinking, a series of Hydroxyethyl Cellulose-poly vinyl alcohol copolymer hydrogels were synthesized as templates for cuprous oxide (Cu2O), reduced graphene oxide (rGO) and bismuth vanadate (BiVO4) nanoparticles to be used as nanocomposites photocatalysts for methylene blue (MB) dye decolorization using visible light. Preparation conditions were optimized to ensure the construction of a good network architecture and therefore the highest gelation degree. For the preparation of (Cu2O@rGO)/BiVO4 nanocomposites, a series of rGO was decorated by Cu2O using the precipitation method, followed by mixing with BiVO4 which was synthesized hydrothermally. (EDX), (XRD), (TEM), and (SEM) were used for nanoparticle characterization. The thermal characteristics of the fabricated nanocomposites were evaluated using thermal gravimetric analysis. The presence of rGO enhanced the decolorization efficiency of MB about 20 % higher than that of (HEC-PVA)/Cu2O which achieves only (59 %) decolorization efficiency. After the addition of BiVO4 NPs, the decolorization efficiency increased to reach 90 % after 150 min at pH 11 using a 10 ppm MB solution. The developed (HEC-PVA)/(Cu2O@rGO)/BiVO4 photocatalyst exhibits efficient reusability for 5 cycles. Treated dyed water shows a germination index (GI) of 82 % suggesting its suitability for irrigation of playgrounds and gardens.

Dual Z-scheme Pr2Sn2O7/P@g-C3N4/SnS2 heterojunctions for the removal of tetracycline antibiotic by persulfate activation: Kinetics, thermodynamic parameters, density functional theory, and toxicity studies

In this study, a Pr2Sn2O7/P@g-C3N4/SnS2 ternary nanocomposite photocatalyst is obtained by hydrothermal synthesis followed by mechanical grinding. By separating electrons and holes (e−/h+) effectively through the dual Z-scheme heterojunction and activating persulfate (PS), the heterojunction demonstrated superior visible light-driven catalytic activity. Tetracycline (TC) was degraded (89.48%) in 60 min using 30 mg/L of ternary composite and 30 mg/L of PS. This system displayed the highest pseudo-first-order kinetic constant (0.0989 min−1 and R2 = 0.969). The electron paramagnetic resonance analysis showed that SO4−, OH, O2−, and 1O2 were involved in TC degradation. TC's vulnerability positions and degradation pathways were analyzed using DFT and gas chromatography-mass spectrometry analysis, while toxicity assessment software was used to determine the toxicity of intermediate products. Thus, Pr2Sn2O7/P@g-C3N4/SnS2 was established to be a promising photocatalyst template for pollutant remediation.

Synthesis and Characterization of Photocatalyst Nanocomposite for the Degradation of Organic Pollutants in Wastewater

Synthesis and Characterization of Photocatalyst Nanocomposite for the Degradation of Organic Pollutants in Wastewater

Advancement of visible light-driven photocatalytic degradation of dimethyl sulfide by Zn doped rGO/TiO2

In this study, visible light-driven photocatalytic degradation of dimethyl sulfide (DMS) by nanocomposite photocatalyst was achieved through doping TiO2 with reduced graphene oxide (rGO) and various contents of Zn via solvothermal method. Doping of Zn led to formation of oxygen defects and presence of Ti3+ which further promoted photocatalytic activity. After modification, formation of lower level band gap between VB and CB reduced required energy for electron excitation and accelerated light energy utilization. Besides, the presence of surface oxygen vacancies enhanced photocatalytic activity via adsorption of exoteric oxygen. The best DMS conversion (almost 50 %) was performed by 0.1rGO/Zn1TiO2 under typical indoor environment at 60 % RH. Declining of relative humidity to below 10 % improved photocatalytic degradation of DMS due to lower competitive adsorption of water vapor. The best fitting by Langmuir-Hinshelwood kinetics model 4 also supported the occurrence of competitive adsorption with water vapor. Moreover, detection of generated intermediates was used in development of proposed reaction mechanism. Thus, the discussion on DMS photocatalytic degradation over Zn/rGO/TiO2 could be comprehensively conducted from the preparation, characterization, stability test, proposed reaction mechanism, and kinetic study.

Synthesis of Graphene Based Graphitic Carbon Nitride Hybrid Nanocomposite Photocatalysts for Hydrogen Generation: A Mini Review

The discovery of visible active photocatalysts for H2 evolution via water splitting is the most awaited and critical goal of many researchers in recent years. Novel polymeric graphitic carbon nitride (GCN/g-CN) has emerged as a versatile material which has attracted the scientific community and industrialist because of its distinctiveness and outstanding electronic properties. g-CN is a metal free semiconductor as well as non-toxic, biodegradable polymeric material with low band gap energy which makes it a promising candidate as a photocatalyst and its efficiency as a catalyst can be modified by forming a hybrid nanocomposite with other semiconducting materials. Reduced graphene oxide, another metal free 2D material is a very good choice for this purpose. This review is an outlook for the synthesis processes and various properties of both g-CN and graphene. Further, it gives the approaches attempted towards the modifications required and done towards the development of a metal-free nano-hybrid material which is cost-effective, eco-friendly, and highly active visible light catalyst for the water- splitting process.

Constructive Z-scheme interfacial charge transfer of a spinel ferrite-supported g-C3N4 heterojunction architect for photocatalytic degradation

The design and fabrication of metal ferrite-supported porous g-C3N4 (p-GCN) tandem heterojunctions constructed via the hydrothermal method. Phase identification, morphology, magnetic, thermal, and electrochemical properties were studied. The physicochemical characteristic studies confirmed the effective interaction and formation of the heterojunction architect. The fabricated materials were employed as a photocatalyst for the degradation of rhodamine B (RhB), tetracycline (TC), cartap hydrochloride (C-HCl), and complex effluent (RhB+TC+C-HCl) under sunlight irradiation. The p-GCN/AgFe2O4 (p-GCN/AFO) heterojunction demonstrates outstanding performance within 60 min of irradiation (RhB- 98.3%, TC- 98.5%, C-HCl- 99.56%, and complex effluent- 95.72%), whereas p-GCN/MgFe2O4 (p-GCN/MFO) shows slightly reduced activity (RhB- 97.14%, TC- 97.62%, C-HCl- 99.23%, and complex effluent- 91.05%). The performance improvement of nanocomposites is due to complementary sunlight absorption, sequential energy, and electron transfer properties, efficient charge separation, and excellent redox potential of its heterojunction structure. Furthermore, a thorough mechanism analysis suggests the essential role of reactive oxygen species (•OH and •O2-) and it is proposed that the nanocomposite photocatalyst follows a Z-scheme heterojunction mechanism. The high catalytic activity, the magnetic recoverability, and the excellent stability of p-GCN/AFO make it a potential candidate for the degradation of multiple organic contaminants in various industry sectors.

Structural and optical properties of polyhedral N-doped ZnO@BiVO4 nanocomposite photocatalyst derived from ZIF-8

ZIF-8 dodecahedra precursor and BiVO4 nanoparticles were prepared using in-situ self-assembly and solvothermal methods, respectively. Then, an environmentally friendly ZnO@BiVO4 composite photocatalyst based on N-doped ZnO polyhedra containing carbon skeletons (NCZ) was obtained by calcining the mixture of ZIF-8 precursor and BiVO4 nanoparticles. The improvement of oxygen vacancy (VO) defects induced by N element doped in the ZnO component was determined, which was conductive to the photocatalytic performance improvement of the composite. Furthermore, the type-I transfer mechanism of carriers was identified in the ZnO@BiVO4 composite. The influence of BiVO4 and NCZ mass ratio on its photocatalytic performance under simulated solar light was studied by degrading tetracycline (TC) solution, and when the mass ratio was 20 %, the composite photocatalyst exhibited the optimum photocatalytic performance. In addition, the influences of TC solution pH value, initial TC solution concentration, and photocatalyst dosage on the degradation performance of the photocatalyst were further studied. The optimized conditions provide a feasible strategy for its application in photocatalytic degradation of industrial wastewater pollutants.

Critical assessment of a TiO2-Ag-ZnO nanocomposite photocatalyst on improved photocatalytic activity under mixed UV-visible light

In recent years, semiconductor photocatalysts such as zinc oxide (ZnO) and titanium dioxide (TiO2) have been studied to utilize solar light for energy production and environmental remediation. However, their wide band gap energy and fast charge recombination limit their practical applications. So far, various approaches, such as noble metal incorporation, metal oxide coupling, and the design of Z-scheme photocatalyst systems, among others, have been explored to enhance the lifetime of photogenerated charge carriers in ZnO and TiO2. In this study, a novel TiO2-Ag-ZnO nanocomposite photocatalyst has been successfully synthesized by a combination of wet chemistry, photochemistry, and plasma-based processes. Simple spin coating of ZnO thin films was coupled with subsequent photodeposition of metallic Ag nanoparticles (NPs). Afterward, well-uniform TiO2 NPs (roughly 18 nm) were deposited on this unique Ag-ZnO surface via a gas cluster aggregation source (GAS) process. The results showed that the activity of the ZnO photocatalyst under mixed UV-visible light was significantly increased by the TiO2 and Ag contributions. A single mechanism to be responsible for the photocatalytic activity can be excluded. Instead, a critical assessment of the possible mechanisms corresponding to the different interfaces present at the TiO2-Ag-ZnO surface including a Z–scheme is provided.

Construction of Z-scheme 0D/2D In2O3/ZnIn2S4 nanocomposite for photocatalytic hydrogen peroxide production and its mechanism

Photocatalytic production of hydrogen peroxide (H2O2) has gained significant attention as a sustainable technique in recent years. In this work, 0D/2D In2O3/ZnIn2S4 (ZISIO) Z-type heterojunction was successfully constructed using a calcination - solvothermal process,and its chemical composition, optical properties and photocatalytic mechanism were investigated. The In2O3/ZnIn2S4 nanocomposite photocatalysts exhibited excellent catalytic activity. After 100 min of visible light irradiation, the best performing sample (ZISIO60) showed the highest hydrogen peroxide concentration of 982.61 μmol L−1 in the solution. The concentration exhibited a 3.44-fold and 44.22-fold increase in comparison to that of prepared In2O3 and ZnIn2S4, correspondingly. The active species capture experiment results and Electron Spin Resonance spectra demonstrated that photocatalytic hydrogen peroxide production pathway of the prepared heterojunctions was a two-step single-electron indirect oxygen reduction reaction. In conclusion, the reported In2O3/ZnIn2S4 heterojunctions exhibit considerable catalytic activity and provide a reliable strategy for photocatalytic hydrogen peroxide production via photocatalysis.

ZnIn2S4/TiO2 photocatalyst for CO2 photoreduction: Advancing sustainable energy conversion to renewable solar fuels

The rapid increase in CO2 concentration in the atmosphere raised global climate challenges, which creates attention for the researcher to mitigate CO2 from the atmosphere so that the environment can be sustained for generations. From the photocatalysis perspective, reducing CO2 into carbon monoxide (CO) and methane (CH4) is a promising pathway for sustainable solar fuel production. Here, we fabricated a heterojunction nanocomposite photocatalyst of ZnIn2S4 and TiO2. The photocatalyst was highly efficient for CO2 reduction with 1754 and 481 μmol/g yields of CO and CH4, respectively. The photocatalyst had excellent photocatalytic activity and was stable for five consecutive experiments without significant activity loss. The potential of ZnIn2S4/TiO2 photocatalyst to revolutionize carbon monoxide production for various applications underscores its significance in advancing sustainable carbon mitigation strategies.

A novel MoS2-modified hybrid nanodiamond/g-C3N4 photocatalyst for photocatalytic hydrogen evolution

A novel double-heterojunction MoS2/hybrid nanodiamond/g-C3N4 (MoS2/HND/g-C3N4) heterojunction photocatalyst was synthesized by hydrothermal method. The photocatalytic performance of MoS2/HND/g-C3N4 toward H2 evolution was superior to that of the binary one. In particular, under visible-light irradiation, the MoS2/HND/g-C3N4 nanocomposite photocatalyst with 4 wt% of MoS2 and 3 wt% of HND exhibited the highest photocatalytic hydrogen evolution activity and its corresponding H2 evolution rate is 227 μmol g-1h−1, which was about 34 times higher than that of g-C3N4/MoS2-3 %. The origin of the high efficiency can be ascribed to three aspects: (i) graphene shell of HND with high carrier mobility can shorten the charge migration time while the diamond core with light scatter effect can enhance the light absorption efficiency; (ii) the heterostructure formed at the interface of different components can accelerate the charge transfer and separation; (iii) MoS2 quantum dots as cocatalyst can provide active sites, which were needed in the photocatalytic action.

Popcorn-stick-like NH2-UiO-66/TiO2 nanotube nanocomposites toward optimized photocatalytic carbon oxidation with nitrogen dioxide

Developing photocatalytic technologies for pollutants removal with high harmless product selectivity is a significant challenge. Construction and optimization of nanocomposites junction with appropriate band alignments is an effective method for achieving this objective. Herein, a unique popcorn-stick-like NH2-UiO-66/TiO2 nanotube nanocomposites with staggered band alignment is fabricated. The small metal organic frameworks (MOFs) particles with diameters around 20 nm are uniformly dispersed on the surface of TiO2 nanoplates, creating a popcorn-stick-like structure. The resulting as-synthesized nanocomposites photocatalysts show distinguished photocatalytic activity for simultaneous removal of carbon particles and nitrogen dioxide with 100% NO2 conversion and 99% N2 selectivity, about 3.9 times higher than that of pristine TiO2. The significant enhancement is attributed to the rapid charge separation and transfer in TiO2 and NH2-UiO-66 interface and the visible light absorption. The enhanced charge transfer follows double charge transfer mechanism, which is confirmed by surface photovoltage spectroscopy, photoluminescence, transient photocurrent measurements, and electrochemical impedance spectroscopy. This study demonstrates the potential for the simultaneously removal of two pollutants using the composite of TiO2 and MOF materials with high surface area and visible light absorption ability, thereby providing the possible applications of NH2-UiO-66/TiO2 composites in environmental remediation including air purification and wastewater treatment.

Ceria-decorated zeolite nanocomposite for synergistic adsorption and photocatalytic degradation of caffeine

The adsorption-photocatalytic degradation behaviour of emerging contaminant caffeine, an endocrine-disrupting compound was investigated. The adsorbent material zeolite with porous structure was modified by acid treatment to form a support for attachment of cerium oxide nanoparticles. The photoactive CeO2 was decorated on zeolite (Ceria/zeolite) using the surface modification approach. The physicochemical techniques used for the evaluation of a Ceria/zeolite nanocomposite were performed using XRD, FT-IR, SEM and EDS point mapping, and BET surface area analysis. The effect of caffeine removal was investigated by considering different parameters: pH (3–11), caffeine concentration (10–40 mg/L), and nanocomposite usage (250–750 mg/L). After 90 min of reaction, 68.32 ± 1.38 % adsorption/photocatalytic activity was achieved under dark conditions. UV irradiation increased photocatalysis-mediated removal by 90.63 ± 2.03 %. The process showed the best fit to the PFO model of adsorption kinetics with an R2 value of 0.98. The equilibrium data fitted well to the adsorption isotherm model of Langmuir isotherm, indicating monolayer adsorption. The residual toxicity evaluation revealed 75 % cell viability in the model algal strains. Furthermore, the synthesized nanocomposite photocatalyst can be reused for numerous cycles due to its high caffeine degradation and photocatalytic efficiency. Finally, utilizing HR-LCMS analysis, the probable mechanism of caffeine breakdown is elucidated.