Visible Light Irradiation Research Articles

Tailoring d-Band Center of Single-Atom Nickel Sites for Boosted Photocatalytic Reduction of Diluted CO2 from Flue Gas.

Photocatalytic reduction of diluted CO2 from anthropogenic sources holds tremendous potential for achieving carbon neutrality, while the huge barrier to forming *COOH key intermediate considerably limits catalytic effectiveness. Herein, via coordination engineering of atomically scattered Ni sites in conductive metal-organic frameworks (CMOFs), we propose a facile strategy for tailoring the d-band center of metal active sites towards high-efficiency photoreduction of diluted CO2. Under visible-light irradiation in pure CO2, CMOFs with Ni-O4 sites (Ni-O4 CMOFs) exhibits an outstanding rate for CO generation of 13.3 μmol h-1 with a selectivity of 94.5 %, which is almost double that of its isostructural counterpart with traditional Ni-N4 sites (Ni-N4 CMOFs), outperforming most reported systems under comparable conditions. Interestingly, in simulated flue gas, the CO selectivity of Ni-N4 CMOFs decreases significantly while that of Ni-O4 CMOFs is mostly unchanged, signifying the supremacy for Ni-O4 CMOFs in leveraging anthropogenic diluted CO2. In situ spectroscopy and density functional theory (DFT) investigations demonstrate that O coordination can move the center of the Ni sites' d-band closer to the Fermi level, benefiting the generation of *COOH key intermediate as well as the desorption of *CO and hence leading to significantly boosted activity and selectivity for CO2-to-CO photoreduction.

Pyrene‐4,5,9,10‐Tetraone‐Based Porous Aromatic Frameworks for Photocatalytic Production of Hydrogen Peroxide

AbstractThree pyrene‐4,5,9,10‐tetraone‐based porous aromatic frameworks (PT‐PAFs) are synthesized and their photocatalytic properties for H2O2 production are studied. It is found that the combination of pyrene‐4,5,9,10‐tetraone with anthraquinone affords an efficient PT‐PAF photocatalyst (PAF‐371) for H2O2 production, which achieves production rates of 3791 µmol g−1 h−1 (with sacrificial reagent) and 923 µmol g−1 h−1 (without sacrificial reagent) from water and oxygen under visible light irradiation. This work demonstrates that pyrene‐4,5,9,10‐tetraone molecule could be introduced into PAF materials to construct efficient organic semiconductor photocatalysts for H2O2 production.

Formation of 3-Alkynylidenephthalides by Gold(I)-Catalyzed Alkynylative Cyclization of o-Alkynylbenzoic Acids under Visible Light Irradiation.

Herein, we report a Csp2-Csp cross-coupling process involving the merger of gold catalysis and visible light photocatalysis leading to the alkynylative cyclization of o-alkynyl benzoic acids. The corresponding and previously undescribed alkynylidenephthalide products were obtained as mixtures of E:Z isomers. The key C-C bond formation is based on the photoactivation of the oxidative addition of an alkynyliodide to a vinylgold(I) intermediate resulting from an initial 5-exo-dig cyclization pathway, as supported by mechanistic studies including DFT calculations.

Synthesis of Bicyclo[3.2.0]heptanes by Organophotoredox Catalytic Diastereoselective Anion Radical [2+2] Photocycloadditions of Arylenones under Batch and Flow Conditions

AbstractIn this study, the anion radical [2+2] photocycloaddition of aryl‐enones was investigated under batch and flow conditions. The reaction was promoted by LiBr as a Lewis acid and catalyzed by Eosin Y under visible light irradiation. Symmetrical enones and asymmetrical unsaturated ketoesters were effectively cyclized to yield substituted bicyclo[3.2.0]heptanes in high yield and diastereoselectivity. Through the exploration of different experimental setups and reaction conditions, a precise control over the diastereoselectivity of the process was achieved, favoring the formation of either cis or trans substituted bicyclo[3.2.0]heptanes. In‐flow experiments allowed to further improve the efficiency of the methodology, leading to higher productivity and space time yields. Furthermore, DFT investigations were conducted in order to elucidate the reaction mechanism.

Flavin-Catalyzed, Photochemical Conversion of Dehydroalanine into 4,5-Dihydroxynorvaline.

The chemical synthesis of unnatural amino acids (UAA) is a key strategy for preparing designed peptides, including pharmaceutically active compounds. Alterations of existing amino acid residues such as dehydroalanine (Dha) are particularly important since selected positions can be addressed without the necessity of a complete de novo synthesis. The intriguing UAA 4,5-dihydroxynorvaline (Dnv) is found in a variety of naturally occurring peptides and biologically active compounds. However, no method is currently available to modify an existing peptide with this residue. We report the use of flavin catalysts and visible light irradiation for this challenge, which serves as a versatile strategy for converting Dha into Dnv. Our study shows that excited flavins are competent hydrogen atom abstraction catalysts for ethers and acetals, which allows masked 1,2-dihydroxyethylene functionalization from 2,2-dimethyl-1,3-dioxolane. The masked diol was successfully coupled to Dha residues, and a series of Dnv-containing products is reported. A mild and orthogonal protocol for deprotection of the acetal group was also identified, allowing free Dnv-modified peptides to be obtained. This method provides a straightforward strategy for Dnv functionalization, which is envisioned to be crucial for accessing natural products and synthetic analogues with pharmaceutical activity.

Plasmonic Nanocomposite for Visible Light‐Modulated Bimorph‐Actuator

AbstractSoft actuators have great potential applications in sophisticated movement and sensitive devices due to their flexible nature, good interaction, and precise control. However, existing carbon‐based optical actuators are limited in their response under visible light irradiation. The limited visible light absorbance of the carbon nanostructure brought the metallic nanoparticle into the soft actuators that can absorb visible light. This study introduces a new type of plasmonic photothermal‐bimorph actuator, using graphene oxide (GO), reduced graphene oxide (rGO), and silver nanorods (Ag NRs) to overcome the limitations of traditional optical actuators. The bimorph film is actuated by visible and near‐infrared light stimuli with various power densities showing reversible deformation behavior. The actuator shows significant bending associated with a ≈50° change in bending angle under visible light irradiation with a response time of ≈5 ± 1 sec. Furthermore, a smart photo‐controlled non‐contact switch is fabricated based on photo‐thermal conversion properties, demonstrating perfect integration of plasmonic bimorph actuators. The density functional theory based molecular dynamics calculations provide an additional understanding of the bending of actuators under external stimulus. Using illustrative demonstrations of actuators, these results hint at a method for generating multipurpose visible light‐based soft robots, supporting a new approach to developing an optical locking system.

Fabrication of Two-Dimensional Bi2MoO6 Nanosheet-Decorated Bi2MoO6/Bi4O5Br2 Type II Heterojunction and the Enhanced Photocatalytic Degradation of Antibiotics

This article successfully synthesized a series of Bi2MoO6/Bi4O5Br2 heterojunctions using a two-step solvothermal method followed by calcination, and the photocatalytic activity by degradation of tetracycline hydrochloride (TC) was investigated. Compared with pure Bi4O5Br2 and Bi2MoO6, a series of Bi2MoO6/Bi4O5Br2 heterojunctions exhibit higher photocatalytic activity, which can be attributed to the heterostructures with strong interfacial interaction, improving the charge separation. The 2% Bi2MoO6/Bi4O5Br2 heterojunction shows the best photocatalytic activity under visible light irradiation, which is 1.9 times and 1.8 times that of Bi2MoO6 and Bi4O5Br2, respectively. In addition, cyclic experiments have shown that 2% Bi2MoO6/Bi4O5Br2 heterojunction has high stability, with a degradation efficiency only decreasing by 3% after 5 cycles. From the capture agent experiment and ESR test, it can be seen that ·O2− and h+ are the main active species. A possible photocatalytic mechanism of 2% Bi2MoO6/Bi4O5Br2 heterojunction under visible light irradiation was proposed.

AIE-derived fluorescent silsesquioxane-based hybrid aerogel for light-enhanced gold recovery

In this work, two aggregation-induced emission (AIE)-active organic fluorescent monomers (TPV, TPC) were synthesized by Knoevenagel reaction of 2,2′-([1,1′-biphenyl]-4,4′-diyl)diacetonitrile with benzaldehyde and 4-bromobenzaldehyde, respectively. Subsequently, two fluorescent hybrid porous polymers with semiconductor performance (PCS-TPV, PCS-TPC) were prepared successfully by connecting octavinyl silsesquioxane (OVS) with TPV and TPC through Friedel-Crafts reaction and Heck coupling, respectively. Among them, PCS-TPV with a hyper-crosslinked structure offered a specific surface area of up to 1165 m2 g−1; PCS-TPC was the first AIE-derived fluorescent hybrid silsesquioxane-based semiconductor polymer with 3-D conjugated structure. Compared with PCS-TPV, PCS-TPC exhibited stronger visible light absorption, higher fluorescent performance and quantum yield due to its high AIE-active unit content. Besides, PCS-TPC exhibited a remarkable gold recovery capacity (Qm = 2728 mg g−1) when exposed to visible light irradiation. Adsorption mechanism revealed that the photoelectrons produced by PCS-TPC under visible light irradiation reduced all adsorbed Au(III) to Au(I) and Au(0). Furthermore, a hybrid aerogel was prepared through physical blending of PCS-TPC with chitosan, overcoming the limitation that insoluble powder was difficult to process and recycle. This work provided a very efficient, sustainable, and industrially feasible way for gold recovery in e-waste.

Enhanced Degradation of Norfloxacin Under Visible Light by S-Scheme Fe2O3/g–C3N4 Heterojunctions

S-scheme Fe2O3/g–C3N4 heterojunctions were successfully fabricated by the ultrasonic assistance method to remove norfloxacin (NOR) under visible light irradiation. The synthesized catalysts were well studied through various techniques. The obtained Fe2O3/g–C3N4 heterojunctions exhibited an optimal photocatalytic degradation of 94.7% for NOR, which was 1.67 and 1.28 times higher than using Fe2O3 and g–C3N4 alone, respectively. In addition, the kinetic constant of NOR removal with Fe2O3/g–C3N4 composites was about 0.6631 h−1, and NOR photo-deegradation was still 86.7% after four cycles. The enhanced photocatalytic activity may be mainly attributed to the formation of S-scheme Fe2O3/g–C3N4 heterojunctions with built-in electric fields, which were beneficial to the separation and transfer of photostimulated charge carriers. Furthermore, a possible photo-degradation mechanism of NOR for S-scheme Fe2O3/g–C3N4 heterojunctions is described.

Dication Disulfuranes as Photoactivatable Sources of Radical Organocatalysts.

The recent development of photoredox and energy transfer catalysis has led to a significant expansion of visible light-driven chemical transformations. These methods have demonstrated exceptional efficiency in converting a wide range of substrates into radical intermediates and generating open-shell catalytic species. However, the simplification of catalytic systems and the direct generation of highly reactive radical organocatalysts through direct visible light irradiation from stable precatalysts remains largely an unrealized goal. This challenge is mainly due to the limited availability of precatalysts that are responsive to visible light. Herein, we introduce a new class of bench-stable dicationic disulfuranes, which release highly reactive thiyl radicals upon blue light excitation. Spectroscopic and computational studies reveal that this reactivity arises from a combination of structural features and intermolecular interactions. This family of molecules has been employed to catalyze radical cascades previously incompatible with photoredox conditions, enabling the efficient formation of 1,2-dioxolanes and 1,3-hydroxyketones in excellent yields and short reaction times.

Dication Disulfuranes as Photoactivatable Sources of Radical Organocatalysts

The recent development of photoredox and energy transfer catalysis has led to a significant expansion of visible light‐driven chemical transformations. These methods have demonstrated exceptional efficiency in converting a wide range of substrates into radical intermediates and generating open‐shell catalytic species. However, the simplification of catalytic systems and the direct generation of highly reactive radical organocatalysts through direct visible light irradiation from stable precatalysts remains largely an unrealized goal. This challenge is mainly due to the limited availability of precatalysts that are responsive to visible light. Herein, we introduce a new class of bench‐stable dicationic disulfuranes, which release highly reactive thiyl radicals upon blue light excitation. Spectroscopic and computational studies reveal that this reactivity arises from a combination of structural features and intermolecular interactions. This family of molecules has been employed to catalyze radical cascades previously incompatible with photoredox conditions, enabling the efficient formation of 1,2‐dioxolanes and 1,3‐hydroxyketones in excellent yields and short reaction times.

In-situ cation-exchange deposited Ag2S/In4SnS8 of Z-type heterojunction coupled with DNA recycling amplification for photoelectrochemical biosensing

Herein, a novel photoelectrochemical (PEC) biosensor was developed utilizing an in situ cation-exchange method to deposit a high-performance Ag2S/In4SnS8, a Z-type heterojunction with co-shared S atoms, as a signal indicator and using DNA recycling amplification for the sensitive and accurate detection of miRNA-141. The photosensitive Ag2S deposited on the In4SnS8 surface not only facilitated the rapid generation of photoelectrons but also formed a Z-type heterojunction with In4SnS8, effectively inhibiting electron-hole pair recombination. This resulted in a considerable improvement in the photoelectric conversion efficiency of Ag2S/In4SnS8, yielding an ∼ 120-fold increase in photocurrent compared to that of In4SnS8 under 660-nm visible-light irradiation. Furthermore, the arborescent DNA structure formed by hybrid chain reaction (HCR) enhanced the steric effect, thereby reducing the PEC response. Importantly, numerous quenchers MnPP competed for light absorption and captured photogenerated electrons in the valence bands of In4SnS8 and Ag2S, reducing electron transfer to the electrode and further considerably reducing the photocurrent. This enabled the sensitive detection of miRNA-141 across a concentration range from 10 amol·L−1 to 100 pmol·L−1, with a limit of detection as low as 3.3 amol·L−1 (S/N = 3). The proposed biosensor exhibits excellent stability and is expected to be applied for detecting clinically relevant disease markers.

Harnessing visible light for sustainable biodiesel production with Ni/Si/MgO photocatalyst

Sustainable energy sources frequently demonstrate greater reliability and resilience in comparison to conventional energy sources. Biodiesel, with its markedly reduced carbon footprint when compared to petroleum-based diesel fuel, owes this advantage to its production from renewable resources. Heterojunction photocatalysts have gained significant interest due to their immense promise in tackling environmental challenges. In this study, a highly efficient photocatalyst, Ni/Si/MgO, for biodiesel production under visible light irradiation was synthesized using a solid-phase reaction method with silica as the silicon source, along with Ni and MgO. The surface functionality of Ni/Si/MgO was crucial for achieving high efficiency of photocatalytic systems, as evident from XPS. The transesterification reaction on the Ni/Si/MgO photocatalyst proceeds by the formation of SiH and SiOH bonds over the catalyst. The photocatalytic activities of Ni/Si/MgO photocatalysts were higher than those of the Si/MgO nanoparticle when exposed to light. Achieving an optimal yield of 98 %, the biodiesel production was carried out under the following reaction conditions: A catalyst dosage of 2 % by weight was utilized, along with a methanol-to-oil molar ratio of 12:1, and the entire procedure was executed within a duration of 3.5 h. Plasmonic near-fields are speculated to be responsible for the increased transesterification activity along the Ni/Si/MgO interface. In order to carry out the transesterification reaction, electron-hole pairs are generated along the Ni/Si/MgO interface, where plasmonic near-fields are highly concentrated. This study contributes a significant perspective on mechanisms governing the process of efficient plasmonic photocatalysis responsive to visible light. These findings hold the potential to offer valuable guidance in the formulation and design of next-generation, high-performance photocatalysts.

Self-standing Z-scheme structured heterogeneous nanosheet arrays of ZnIn2S4/cobalt porphyrin sulfonate for bifunctional photocatalytic carbon dioxide reduction and antibacterial

Photocatalytic CO2 reduction for solar fuel generation and photocatalytic sterilization are highly desired green routes for sustainable environmental purification. Herein, a bifunctional self-standing nanosheet array of Z-scheme structured inorganic–organic heterojunction is synthesized via in-situ growth of ZnIn2S4 (ZIS) on carbon cloth (CC) followed by self-assembly with cobalt porphyrin (meso-tetra(4-sulfonatophenyl) porphyrin, CoTPPS). The obtained CC-ZIS-CoTPPS performed well in the photocatalytic CO2 reduction and antibacterial processes simultaneously in a portable photocatalytic system with a negligible amount of solution. Specifically, the optimized CC-ZIS-CoTPPS demonstrates more than 140 times enhanced CO evolution than pristine CoTPPS. Experimental and theoretical results imply that the enhanced photocatalytic CO2 reduction is associated with elevated light absorption, promoted charge separation, and improved CO2 activation in the inorganic–organic Z-scheme heterojunction. In addition, the self-standing nanosheet array possesses a mechanical cutting effect, which can kill bacteria adhering to the surface even in dark conditions. Moreover, CC-ZIS-CoTPPS achieved a 100 % killing rate under visible light irradiation by synergistically chemical and mechanical sterilization. Furthermore, CC-ZIS-CoTPPS exhibits efficient bifunctional photocatalytic photocatalytic CO2 reduction coupled with in-situ sterilization. This work presents an atomic perspective for developing innovative bifunctional photocatalysts, which hold great potential in portable devices to alleviate energy and environmental crises.

Rational design of Z-scheme configured polymeric carbon nitride-decorated ZnWO4 nanofibers for enhanced visible-light-driven photodegradation of antibiotics

In this study, a Z-scheme heterostructure was meticulously engineered between zinc tungstate (ZnWO4) nanofibers and polymeric carbon nitride (PCN) nanosheets to augment the photocatalytic degradation of tetracycline (TC) under visible light irradiation. A cohesively integrated PCN/ZnWO4 photocatalyst structure was synthesized through an in-situ gas-solid reaction. The quantity and spatial distribution of PCN nanosheets were modulated by fine-tuning the gas precursor and reaction parameters. Relative to pristine ZnWO4 nanofibers and PCN photocatalysts, the distinct three-dimensional PCN/ZnWO4 heterostructure manifests a notable enhancement in photocatalytic performance, attributed to its plethora of active sites and a Z-scheme configuration that bolsters charge separation efficiency, achieving a tetracycline degradation rate of 95.4% upon exposure to simulated sunlight for 160 minutes. The employment of gas-solid reaction as a design paradigm pioneers a fresh paradigm in the strategic assembly of Z-scheme heterostructured photocatalysts, thereby illuminating a promising pathway for advancements in environmental remediation technologies.

Visible light-induced photocatalytic oxidation of gaseous ammonia on C surface-coated N-TiO2 catalyst: synthesis, properties and mechanism

This paper explores an eco-friendly and efficient photocatalytic oxidation (PCO) technology aimed at converting NH3 into N2, which holds considerable importance for environmental conservation and human well-being. Building upon previous investigations of N-TiO2 catalysts, the research group successfully synthesized an N-TiO2 catalyst featuring a carbon layer on its surface via mechanical mixing followed by calcination at 400 °C (denoted as C/N-TiO2(1), 1 represents the molar ratio of N and Ti). The analysis concentrated on the influence of C content on the PCO efficiency of NH3, revealing a peak performance correlated with increasing C levels. Notably, the C/N-TiO2(1) catalyst with 3.0 wt% C exhibited remarkable catalytic performance, achieving a conversion rate of 94 % and selectivity of 98 %. The enhancement of catalytic activity and selectivity is primarily attributed to the co-doping of C and N elements. Experimental results indicate that doping with N alone effectively suppresses the recombination of photogenerated carriers under visible light. Furthermore, the simultaneous doping of C and N significantly reduces the band gap energy of TiO2 (3.18 to 2.90 eV), thereby broadening its photoresponse range. Concurrently, more Ov (Oxygen vacancy) are formed under visible light irradiation, which enhances the PCO performance. More importantly, more acidic sites are introduced to improve the catalyst’s adsorption capacity for NH3. Additionally, the impact of various reaction components on the PCO capability of the 3.0 wt% C/N-TiO2(1) catalyst is examined further. The findings indicate that oxygen anion radicals produced from O2 play a critical role in facilitating NH3-PCO. However, the presence of CO2 and extra H2O could hinder the approach of NH3 molecules to the active sites and decrease the longevity of photogenerated ·OH, consequently reducing catalytic effectiveness. This research introduces fresh insights and optimization approaches for enhancing the activity, selectivity, and stability of catalysts.

Photocatalytic degradation of cetirizine hydrochloride using polypyrrole decorated zinc ferrite nanohybrids under visible light irradiation.

The present work reports photocatalytic degradation of cetirizine hydrochloride (CTZ-HCl) utilizing polypyrrole (PPy) nanohybrids with ZnFe2O4 (ZnFe) nanoparticles. The synthesized materials were characterized using UV-visible spectroscopy, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), photoluminescence (PL) spectroscopy, BET, and scanning electron microscopy (SEM) techniques. UV diffuse reflectance studies (UV-DRS) revealed that the band gap was found to decrease with increase in the loading of PPy and Kubelka-Munk plots confirmed the bandgap values to be 2.14eV for ZnFe, 1.94eV for 1% PPy/ZnFe, 1.66eV for 3% PPy/ZnFe, and 1.38eV for 5% PPy/ZnFe. The photocatalytic performance against CTZ-HCl degradation was performed under visible light irradiation for 60min. The effect of catalyst dosage and the effect of drug concentration were investigated to confirm degradation behavior of the PPy/ZnFe photocatalysts. The degradation followed the pseudo-first-order kinetics model. Maximum photocatalytic degradation was observed to be 98% within 60min using 5% PPy/ZnFe as the photocatalyst. The recyclability tests revealed that the 5% PPy/ZnFe photocatalyst was reusable up to 4 cycles. Radical scavenging studies confirmed the generation of ●OH radicals that were responsible for the drug degradation. The degraded fragments were analyzed using LCMS technique and the tentative mechanism of degradation was proposed.

A novel Ag/Bi/Bi2O2CO3 photocatalyst effectively removes antibiotic-resistant bacteria and tetracycline from water under visible light irradiation

A novel Ag/Bi/Bi2O2CO3 photocatalyst effectively removes antibiotic-resistant bacteria and tetracycline from water under visible light irradiation

Laser NIR Irradiation Enhances Antimicrobial Photodynamic Inactivation of Biofilms of Staphylococcus aureus.

Photodynamic inactivation (PDI) is a powerful technique for eradicating microorganisms, and our group previously demonstrated its effectiveness against planktonic cultures of Staphylococcus aureus bacteria using 5,10,15,20-tetrakis[4-(3-N,N-dimethylaminopropoxy)phenyl]porphyrin (TAPP) and visible light irradiation. However, biofilms exhibit a lower sensitivity to PDI, mainly due to limited penetration of the photosensitizer (PS). In the context of emerging antibacterial strategies, near-infrared treatments (NIRTs) have shown promise, especially for combating resistant strains. NIRT can act either through photon absorption by water, causing a thermal effect on bacteria, or by specific chromophores without a significant temperature increase. Our objective was to enhance biofilm sensitivity to TAPP-PDI by pretreatment with NIRT. This combined approach aims to disrupt biofilms and increase the efficacy of TAPP-PDI against bacterial biofilms. In vitro biofilm models of S. aureus RN6390 were utilized. NIRTs involved a 980 nm laser (continuous mode, 7.5 W/cm2, 30 s, totaling 225 J/cm2) post-TAPP exposure to enhance photosensitizer accumulation. Subsequent visible light irradiation at 180 J/cm2 was employed to perform PDI. Colony-forming unit counts evaluated the synergistic effect on bacterial viability. Scanning electron microscopy visualized the architectural changes in the biofilm structure. TAPP was extracted from bacteria to estimate the impact of NIRT on biofilm penetration. Using in vitro biofilm models, NIRT application following biofilm exposure to TAPP increased PS accumulation per bacteria. Under these conditions, NIRT induced a transient increase in the temperature of PBS to 46.0 ± 2.6°C (ΔT = 21.5°C). Following exposure to visible light, a synergistic effect emerged, yielding a substantial 4.4 ± 0.1-log CFU reduction. In contrast, the PDI and NIRT treatments individually caused a decrease in viability of 0.9 ± 0.1 and 0.8 ± 0.2-log respectively. Interestingly, preheating TAPP-PBS to 46°C had no significant impact on TAPP-PDI efficacy, suggesting the involvement of thermal and nonthermal effects of NIR action. In addition to the enhanced TAPP penetration, NIRT dispersed the biofilms and induced clefts in the biofilm matrix. Our findings suggest that NIR irradiation serves as a complementary treatment to PDI. This combined strategy reduces bacterial numbers at lower PS concentrations than standalone PDI treatment, highlighting its potential as an effective and resource-efficient antibacterial approach.

Novel 3D plate-like g-C3N4/BiOCl heterojunction as a highly efficient photocatalyst for the degradation of carbofuran in wastewater under visible light irradiation

The g-C3N4/BiOCl (gCN-BCl) heterojunction photocatalyst was synthesized using a low-temperature precipitation method for effective photocatalytic degradation of carbofuran (CBF). All gCN-BCl composites demonstrate greater efficacy in removing CBF compared to its individual constituents. The synergistic effect of incorporating the 0D structured BiOCl onto the 2D structured g-C3N4 was comprehensively examined using various microscopic, X-ray, and spectroscopic analytical techniques. Additionally, optical and photoelectrochemical analyses were conducted. The findings validated that the interaction between the two semiconductors at the heterointerfaces enhanced remarkable physical and structural stability, promoted high charge separation and transfer properties, and improved photocatalytic degradation. Under optimal conditions, 5-gCN-BCl (0.25 g/L) achieved a CBF (5 mg/L) removal efficiency of 95.7 % under visible light irradiation of 120 min, achieving 3.1- and 5.9-times higher degradation rate than the pure BiOCl and g-C3N4, respectively. The radical trapping experiments indicated that the h+ and •O2− were the primary reactive species involved in the CBF degradation. Furthermore, the potential toxicity of CBF and its intermediates was assessed, revealing that the photocatalytic degradation process significantly lowered the ecotoxicity of pesticide wastewater. The potency of 5-gCN-BCl was also evaluated in tap water and real wastewater samples, with CBF degradation efficiencies of 85.8 %, 47.6 %, and 38.7 % in tap water, municipal, and pesticide industry wastewater, respectively. Additionally, artificial neural network (ANN) modeling was employed to predict and optimize the photocatalytic degradation process, providing further insights into the system’s performance. The outcomes of this work offer valuable insights into the development of heterojunction photocatalysts with superior stability and efficacy for eliminating pesticides from water bodies.