Enhanced Charge Transfer Research Articles

Synergistic effects of sulphur vacancies and MoS2 on the photocatalytic activity of CdxZn1-xS for H2 evolution

Efficient photocatalysts nurture great potential for harnessing sunlight to produce chemical energy, a pivotal step towards sustainable fuel production. However, designing such systems poses significant challenges due to the complex interaction between light absorption and charge carrier dynamics. In an attempt to address these challenges, this study introduces a novel approach, combining bulk-twinned homojunction CdxZn1-xS photocatalysts with sulphur vacancies. These CdxZn1-xS photocatalysts are seamlessly integrated with molybdenum disulfide (MoS2) to optimize photocatalytic properties and enhance charge transfer via the formation of heterojunctions. Due to its unique crystal structure, the twinned homojunction in CdxZn1-xS enhances light absorption and charge carrier generation. The integrated sulphur vacancies perform several functions: they expediate light adsorption and inhibit electron-hole recombination. These vacancies were initially introduced into the bulk structure during CdxZn1-xS solid solution synthesis. Further, MoS2 provided an augmentation at the surface modification level, thus enhancing their functional role and amplifying their impact on the overall photocatalytic efficiency. The heterojunction formed between MoS2 and CdxZn1-xS provides an integrated efficient platform for overall performance. The composite nanocrystals, wurtzite/zinc-blende twinned MoS2/CdxZn1-xS, were synthesized via an N, N-dimethylformamide-assisted solvothermal method. Detailed characterization was conducted to establish correlations among activity, morphology, and surface properties. The resulting composite photocatalysts demonstrated improved solar hydrogen generation activity and stability, surpassing the performance of twinned crystal CdxZn1-xS.

Pillared Vanadium Molybdenum Disulfide Nanosheets: Toward High-Performance Cathodes for Magnesium-Ion Batteries.

If magnesium-ion batteries (MIBs) are to be seriously considered for next-generation energy storage, then a number of major obstacles need to be overcome. The lack of reversible cathode materials with sufficient capacity and cycle life is one of these challenges. Here, we report a new MIB cathode constructed of vertically stacked vanadium molybdenum sulfide (VMS) nanosheets toward addressing this challenge. The integration of vanadium within molybdenum sulfide nanostructures acts so as to improve the total conductivity, enhancing charge transfer, and to produce abundant lattice defects, improving both the accommodation and transport of Mg2+. Additionally, electrolyte additive-induced interlayer expansion provides a means to admit Mg2+ cations into the electrode structure and thus enhance their diffusion. The VMS nanosheets are capable of exhibiting capacities of 211.3 and 128.2 mA h g-1 at current densities of 100 and 1000 mA g-1, respectively. The VMS nanosheets also demonstrate long-term cycling stability, retaining 82.7% of the maximum capacity after 500 cycles at a current density of 1000 mA h g-1. These results suggest that VMS nanosheets could be promising candidates for high-performance cathodes in MIBs.

Design of cation (Mo) substituted transition metal dichalcogenide (NiSe2): NiMoSe2 electrode for high-performance asymmetric supercapacitors

High electrochemical activity and good stability in electrode materials are crucial to enhance supercapacitor performance. Cation-substituted bi-metal selenides have substantially higher electrochemical activity and capacity than mono-metal selenides. Cation substitution is a potential strategy to modify the structural and electrochemical properties of metal selenides. Here, the cation-substituted ternary nickel molybdenum selenide (NiMoSe2) nanoparticles were prepared using the facile solvothermal method, and utilised as pseudocapacitive electrodes for hybrid supercapacitors. The novel attempt of molybedum (Mo) substitution in the NiSe2 lattice, showed improved electrochemical performance owing to its enhanced charge transfer kinetics and ionic diffusion. The excellent faradic redox properties of the developed electrodes exhibit excellent pseudocapacitive behaviour in a potential window of 0.0 and 0.75 V. In a typical three-electrode system, the fabricated electrodes exhibit a specific capacitance of 480 Fg−1 at the current density of 5 Ag−1, which is greater than that of mono-metal selenide - NiSe2 nanoparticles. The optimum NiMoSe2 electrode retains 99.4 % of the initial specific capacitance over 5000 cycles at 5 Ag−1. Additionally, the fabricated asymmetric supercapacitor device (ASC) showed an energy density of 44.04 Whkg−1 at 2.1 kWh power density with exceptional device stability of 87.4 % retention after 15,000 cycles, demonstrating its exceptional performance and stability. Thus, this work demonstrates that metal selinides are promising supercapacitor electrode materials and the potential of cation substitution as a performance-improving strategy.

Photoelectrocatalytic properties of hydroxyalkyl functionalized germananes

The characteristics of widely explored two-dimensional (2D) layered materials make them promising objects for structural functionalization to adjust their physical and chemical properties. The chemical functionalization of graphene family members has been reported to be useful in catalysis, although the efficiency of organic substitution of germanene, the newborn in the graphene family, remains limited and fairly attracts significant scientific attention. In this study, we explore the photoelectrochemical (PEC) activity of hydroxyalkyl germananes Gen-(CH2)n-OH (n = 2, 6, 10) through PEC-type photodetector experiments, employing excitation wavelengths ranging from 360 to 720 nm. Our findings reveal that organic substitution induces the opening of the germanane band gap, leading to a significant widening up to 2.38 eV and enhanced charge transfer kinetics under visible light irradiation.

Binary Transition-Metal Sulfides/MXene Synergistically Promote Polysulfide Adsorption and Conversion in Lithium-Sulfur Batteries.

Currently, severe shuttle effects and sluggish conversion kinetics are the main obstacles to the advancement of lithium-sulfur (Li-S) batteries. Modification of the battery separator by a catalyst is a promising approach to tackle these problems, but simultaneously obtaining rich catalytic active sites, high conductivity, and remarkable stability remains a great challenge. Herein, a flower-like MXene/MoS2/SnS@C heterostructure as the functional intercalation of Li-S batteries was prepared for accelerating the synergistic adsorption-electrocatalysis of sulfur conversion. The MXene skeleton constructs a three-dimensional conductive network that anchors polysulfides and enhances charge transfer. Meanwhile, the MoS2/SnS has rich active sites for accelerating polysulfide conversion, leading to excellent electrochemical performances. A battery with MXene/MoS2/SnS@C displays an extraordinary capacity of 836.1 mAh g-1 over 200 cycles at 0.5C and demonstrates a remarkable cycling stability with a capacity attenuation of approximately 0.051% per cycle during 1000 cycles at 2C. When the sulfur loading reaches 5.1 mg cm-2, the capacity still maintains 722.4 mAh g-1 over 50 cycles. This research proposes a novel strategy to design stable catalysts for Li-S batteries with an extended lifespan.

Semiconductor quantum dots as a mechanism to enhance charge transfer processes in polymer solar cells

The light trapping capability of thin film polymer solar absorber, composed of poly (3-hexylthiophene) and [6,6]–phenyl C61- butyric acid methyl ester (P3HT:PC60BM) blend, is improved using ZnS semiconductor quantum dots (QD) as third donor-acceptor (D:A) component. The inherent characteristics of the microwave-assisted synthesized ZnS QD, such as quantum size effect, and multiple exciton generation were leveraged in harvesting high energy photons, which resulted in a better exciton generation, dissociation, and effective charge transport in the polymer medium. The synthesized QD exhibited good phase purity, effective kinetic enhancement, and control of the aggregation process. Hence, the impact of ZnS QD on the performance of thin film polymer solar cells (TFPSC) is evident by a remarkable improvement in the measured photovoltaic parameters. Nonetheless, it is observed that the device performances are generally dependent on the concentration of the QD in the absorber layer. Consequently, the power conversion efficiency has increased by 58% at 3% concentration of QDs by weight. This is an interesting development of TFPSC fabricated under an ambient environment.

Conductive Polymer-Inorganic Polythiophene/Cd0.5Zn0.5S Heterojunction with Apace Charge Separation and Strong Light Absorption for Boosting Photocatalytic Activity.

In order to utilize the synergistic effect between a conductive polymer and an inorganic semiconductor to efficaciously enhance charge transfer and solve the problem of unsatisfactory performance of a single photocatalyst, thiophene (Th) was polymerized on the Cd0.5Zn0.5S nanoparticle surface to prepare a conductive polymer-inorganic polythiophene/Cd0.5Zn0.5S (PTh/CZS) heterostructrue through a simple in situ oxidation polymerization for the first time. The as-prepared PTh/CZS heterostructures significantly improved photocatalytic TCH degradation and hydrogen production activities. Especially, the 15PTh/CZS sample exhibited the optimal hydrogen production rate (18.45 mmol g-1 h-1), which was 2.51 times higher than pure Cd0.5Zn0.5S nanoparticles. In addition, 15PTh/CZS also showed very fast and efficient photodegradation ability for degrading 88% of TCH in 25 min. Moreover, the degradation rate (0.06229 min-1) was five times more than that of Cd0.5Zn0.5S. The π-π* transition characteristics, high optical absorption coefficient, wide absorption wavelength of PTh, the tight contact interface, and synergistic effect of PTh and Cd0.5Zn0.5S efficiently boosted charge transfer rate and increased the light absorption of PTh/CZS photocatalysts, which greatly enhanced the photocatalytic abilities. Besides, the mechanism of improved photocatalytic activities for TCH degradation and H2 production was also carefully proposed. Undoubtedly, this work would provide new insights into coupling conductive polymers to inorganic photocatalysts for achieving multifunctional applications in the field of photocatalysis.

Ti3C2Tx/ZIF-67 hybrid nanocomposite as a highly effective adsorbent for Pb (II) removal from water: Synthesis and DFT calculations

The efficient elimination of heavy metal ions including Pb(II) from aqueous solutions, which provide serious risks for the human and environment, by various adsorbents has received much interest. Herein, Ti3C2Tx as a two-dimensional transition metal carbide (MXenes) and Ti3C2Tx/ZIF-67-belt were synthesized and employed as adsorbents for Pb(II) from contaminated water. The developed Ti3C2Tx/ZIF-67-belt hybrid nano-composite exhibited 526.3 mg.g−1 maximum capacity of adsorption for Pb(II), within only 15 min. Its excellent performance was related to the advantages of both the layered structure as well as the presence of different functional groups (Fluorine, Oxygen, Nitrogen, and hydroxyl groups). The results showed that Pb(II) adsorption equilibrium followed the Langmuir and its kinetics was based on pseudo-second-order models. The hybrid nanocomposite was simply regenerated and represented high reusability over six cycles. The features of a simple preparation method, excellent performance, regenerable, and high stability in aqueous solution provide the developed nanocomposite a promising candidate for adsorptive processes. Based on the DFT calculations, adsorption energy of Pb(II) on the MXene/ZIF-67-belt was found to be −0.8 eV as compared to + 0.3 eV for ZIF-67, confirmed that synergetic effects of MXene and ZIF-67 were in favor of Pb(II) adsorption due to the enhancement of charge transfer.

Electrochemical determination of Roxarsone using preconcentration-based signal amplification on modified screen-printed electrode

A lab-made screen-printed electrode based on poly(ethylene terephthalate) (PET) substrate modified with a hybrid film containing gold nanoparticles-decorated graphene (AuNPs-GRA/PET-SPE) was employed for the voltammetric determination of Roxarsone (ROX) in chicken purge and river water samples. The electrode exhibited an increased electroactive area and enhanced charge transfer due to the nanostructured matrix. The electrochemical determination involved a preconcentration approach with a reduction step of ROX at a constant potential of −0.6 V, followed by voltammetric sweep towards the oxidation of the adsorbed hydroxylamine at 0.32 V. The methodology achieved a limit of detection of 60 nM and 97 nM for ROX in diluted river water and chicken purge samples, respectively. This effective methodology offers a promising tool for monitoring ROX levels in environmental and food samples.

Scalable All-Inorganic Halide Perovskite Photoanodes with >100h Operational Stability Containing Earth-Abundant Materials.

The application of halide perovskites in the photoelectrochemical generation of solar fuels and feedstocks is hindered by the instability of perovskites in aqueous electrolytes and the use of expensive electrode and catalyst materials, particularly in photoanodes driving kinetically slow water oxidation. Here, solely earth-abundant materials are incorporated to fabricate a CsPbBr3 -based photoanode that reaches a low onset potential of +0.4 VRHE and 8mA cm-2 photocurrent density at +1.23 VRHE for water oxidation, close to the radiative efficiency limit of CsPbBr3 . This photoanode retains 100% of its stabilized photocurrent density for more than 100h of operation by replacing once the inexpensive graphite sheet upon signs of deterioration. The improved performance is due to an efficiently electrodeposited NiFeOOH catalyst on a protective self-adhesive graphite sheet, and enhanced charge transfer achieved by phase engineering of CsPbBr3 . Devices with >1 cm2 area, and low-temperature processing demonstrate the potential for low capital cost, stable, and scalable perovskite photoanodes.

Electroless plating synthesis of bifunctional crystalline/amorphous Pd-NiFeB heterostructure catalysts for boosted electrocatalytic water splitting

The rational design of low-cost and high-efficient electrocatalysts to overcome the energy barrier of water splitting has aroused great attentions. The amorphous-crystalline interface heterostructure has been verified to be a promising design for modulating the charge redistribution at interface active sites for promoting water splitting, which, however, remains a challenge. Herein, a bifunctional electrocatalyst with amorphous-crystalline heterostructures is fabricated by hybridizing amorphous NiFeB alloy and crystalline Pd nanoclusters on the nickel foam (NF) via a simple electroless plating strategy. The as-synthesized Pd-NiFeB/NF catalyst exhibits excellent HER and OER performance. Moreover, the assembled Pd-NiFeB/NF//Pd-NiFeB/NF electrolytic system requires a rather low cell voltage of 1.81 V to drive the durable current density of 500 mA cm−2 for at least 100 h. Theoretical calculations reveal that the addition of Pd nanoclusters reduces the energy barriers for both HER and OER, which is due to the enhanced charge transfer and optimal adsorption of intermediates.

Photocatalytic activity of non-oxides materials TiB2, TiC, and TiN

This study aims to explore, for the first time, the effect of the anion species on the photocatalytic activity of the compounds TiB2, TiC, and TiN for H2 production. Therefore, non-oxide titanium compounds have been investigated as alternative semiconductor materials to replace TiO2. In this case, these non-oxide materials were evaluated as photocatalysts for the production of hydrogen due to their negative conduction band energies, which facilitate the accumulation of electrons on the surface and promote the water-splitting reaction. Specifically, TiN exhibits the lowest electron-hole recombination, favoring the generation of hydrogen because more electrons are transferred in this material compared to TiB2 and TiC (2- and 3-fold higher amounts of H2, respectively). Photoluminescence (PL) analysis revealed that TiN spectra showed the lowest emission, indicating a lower concentration of recombination sites, attributed to the presence of Ti-3d orbitals, resulting in improved electrical conductivity and enhanced charge transfer during the reaction. However, in the case of TiC, some of the Ti-3d orbitals are not occupied by free electrons, resulting in partial oxidation, this leads to a higher resistance to charge transfer, promoting electron-hole recombination, which in turn affects the activity of hydrogen generation. Therefore, commercial TiN can be considered a viable candidate for use in photocatalytic systems.

Internal electric field and oxygen defect synergistically optimized of BiOCl/BiOIO3 heterojunctions for enhancing charge transfer: Insight into a nature-derived method for Fermi level modulation

Internal electric field and oxygen defect synergistically optimized of BiOCl/BiOIO3 heterojunctions for enhancing charge transfer: Insight into a nature-derived method for Fermi level modulation

Synergistic integration of few-layer thick MXenes and small Pd nanocubes for enhanced electrochemical nitrofurantoin detection: Implications in pharmaceutical pollutant monitoring

Direct electrochemical detection of clinically significant and emerging pharmaceutical pollutants, such as nitrofurantoin, is a critical challenge. Herein, we propose an efficient electroactive platform composed of Pd nanocubes (Pd NCs) embedded within partially oxidized MXenes (Ti3C2Tx-TiO2). This proximity between Pd NCs, in-situ generated TiO2, and Ti3C2Tx results in a highly compact and efficient architecture, facilitating enhanced charge transfer and electrocatalytic activity, which results in an efficient cathodic reduction to NFT at a much lower-over potential of − 0.4 V. The optimal composite configuration (Pd-Ti3C2Tx-P) enabled NFT detection in a dynamic concentration range from 1 to 140 nM, with a detection sensitivity reaching down to 0.01 nM (S/N = 3) against Ag/AgCl as the reference electrode. Furthermore, the developed sensor demonstrated outstanding selectivity toward NFT while tolerating probable interfering substances such as biomolecules, drugs, and metal ions. The sensor can detect NFT selectively in complicated environmental matrices such as hospital waste effluent samples. The proposed design offers a simple route to construct advanced electrocatalytic sensors with potential applications in monitoring emerging pharmaceutical pollutants.

A “turn-on” photoelectrochemical DNA biosensor based on charge transfer between BiVO4 and gold nanoparticles

An enhanced charge transfer between BiVO4 and Au nanoparticles (AuNPs) was utilized to design a “turn-on” photoelectrochemical (PEC) biosensor for sensitive detection of target DNA. The calcination of BiVO4 on indium tin oxide (ITO) substrate was integrated with Au nanoparticles (NPs) labelled probe DNA (pDNA-AuNPs) as photoelectrode (ITO/BiVO4/pDNA-AuNPs). The cathodic photocurrent increased due to the coupling BiVO4 with AuNPs, which acted as the blank signal of this PEC platform. The probe specifically recognized and captured the target DNA (tDNA) to form double strain DNA (dsDNA) after hybridization. The photocurrent intensity of the ITO/BiVO4/dsDNA-AuNPs photoelectrode further increased due to the enhancement of the charge transfer between BiVO4 and AuNPs through dsDNA chain. This photocurrent enhancement was linear proportional to the logarithm of tDNA concentration. Based on this strategy, the PEC assay displayed a linear range from 1 aM to 10 pM and the detection limit was as low as 0.2 aM (S/N = 3). It provides a promising platform for ultrasensitive target DNA detection, and thus shows a great potential in genetic disease or cancer diagnostics and infectious pathogen detection.

Localized surface plasmon resonance enhanced charge transfer effect in MoO2/ZnSe nanocomposites enabling efficient SERS detection and visible light photocatalytic degradation

The detection of pharmaceutical residues in the environment based on surface enhanced Raman spectroscopy (SERS) technology has become a popular tool due to its superior molecular specificity and high sensitivity. However, the practical applicability of semiconductor-based SERS sensors for trace pharmaceutical contaminants is limited due to their weak and unstable SERS performance. Herein, a donor-bridge-acceptor (D-B-A) system of MoO2 and ZnSe was fabricated to enhance the separation efficiency of electron-hole pairs in ZnSe and the charge transfer between MoO2 and ZnSe, which causes the MoO2/ZnSe nanocomposites to exhibit excellent SERS sensitivity and photocatalytic activity for the detection of multi-component contaminants and the antibiotic. The LOD of ciprofloxacin hydrochloride (CIP HCl) on MoO2/ZnSe nanocomposites is 8.30 × 10−8 M, and the degradation rate of CIP HCl is 80 % after visible light irradiation for 180 min. Our research effectively improves the SERS sensitivities and expands the practical SERS application of plasma-nonmetal/semiconductor composites, and avoids secondary contamination in the detection process. The enhancement mechanism of SERS and the interpretation of photocatalytic phenomena provide promising guidance for providing a low-cost and stable composite SERS platform in the detection and treatment of emerging contaminants.

Ternary heterostructure Cu-ZnIn2S4/WO3/WS2 flower-like microspheres for highly-efficient photocatalytic hydrogen evolution under visible-light irradiation

Developing a new composite photocatalyst is the key to achieving efficient photocatalytic decomposition of aquatic hydrogen. In this study, Cu-ZnIn2S4/WO3/WS2 nanostructures were prepared by a two-step hydrothermal method. The unique charge transfer mechanism of Cu-doped and mixed heterojunctions (Z-scheme heterojunctions and Type-I heterojunctions) significantly enhances charge transfer and separation, resulting in excellent photocatalytic hydrogen evolution performance of Cu-ZnIn2S4/WO3/WS2. The hydrogen evolution rate of Cu-ZnIn2S4/WO3/WS2 is 93032.29 µmol·g−1·h−1, 37.82 and 3.33 times that of ZnIn2S4 and Cu-ZnIn2S4, respectively, and the quantum efficiency at 430nm is 37.04 %. It is also superior to Pt-modified Cu-ZnIn2S4 (71654.39 µmol·g−1·h−1) and most reported ZnIn2S4-based photocatalysts. In addition, the density functional theory (DFT) calculation results further show that the absolute value of ΔGH* of the composite photocatalyst is significantly reduced to 0.08 eV, and the adsorption–desorption potential barrier is reduced considerably, indicating that the Cu-ZnIn2S4/WO3/WS2 photocatalytic system is more favorable to H* adsorption. This excellent performance is attributed to the unique transfer mechanism of Cu doping and mixed heterojunctions. This study provides a new idea for photocatalytic hydrogen production and can provide a valuable reference for future research on photocatalytic hydrogen production technology.

Electronic-supply crystal facet guiding enhancement of interfacial charge transfer in homologous covalent heterojunction NiO/Ni-BDC for efficient photocatalytic CO2 reduction

Heterojunction engineering has been an effective strategy to improve separation of charge carriers and photocatalytic activity of semiconductor photocatalysts. Where and how to build effective interface connections for facilitating interface charge migration has always been the key to the construction of high-performance heterojunction. Here, a series of covalently linked homologous heterojunction photocatalysts NiO(111)/Ni-BDC (Ni-BDC = Ni3(BDC)2(OH)2(H2O)4; H2BDC = terephthalic acid) were fabricated by H2BDC in-situ etching octahedral NiO(111) and fully characterized, which were used for photocatalytic reduction of CO2 (pCO2RR) into CH4 and CO. The NiO(111)/Ni-BDC-3 with a proper component proportion and etching degree exhibited an optimal pCO2RR performance with an electron consumption rate (Rele) of 222.68 μmol·g−1·h−1, an excellent CH4 production rate of 21.32 μmol‧g−1‧h−1 and a 76.6% CH4 selectivity, being far superior to most oxide/inorganic semiconductor and oxide/MOF heterojunctions. Comprehensive investigations with extensive photoelectric characterizations, control experiments and DFT calculations based on the homologous NiO(100)/Ni-BDC and non-homologous NiO(100)-Ni-BDC heterojunctions demonstrated that the excellent photocatalytic activity and methane selectivity of NiO(111)/Ni-BDC-3 could be attributed to two points: i) The homologous coordination etching forms a full range of interfacial covalent connections to promote tight MOF-semiconductor integration, yielding a large number of atomic-level electron transfer channels to accelerate the interfacial charge transfer; ii) the alternating polar Ni-O-Ni layer arrangement in NiO(111) crystal facet induces high-throughput electron supply and the enhanced surface charge density effectively promotes the 8-electron reduction process of methane production. Additionally, the durability of NiO(111)/Ni-BDC-3 and the possible charge-transfer mechanisms were also systematically investigated.

Addressing the Sluggish Kinetics of Sulfur Redox for High‐Energy Mg–S Batteries

AbstractA key challenge for practical magnesium–sulfur (Mg–S) batteries is to overcome the sluggish conversion kinetics of sulfur cathodes, achieving a high energy density and long‐lasting battery life. To address this issue, a doping strategy is demonstrated in a model Ketjenblack sulfur (KBS) cathode by introducing selenium with a high electronic conductivity. This leads to a significantly enhanced charge transfer in the resultant KBS1−xSex cathodes, giving rise to a higher S utilization and less polysulfide dissolution. Compared to the bare S cathode, the S‐Se composite cathodes exhibit a higher capacity, smaller overpotentials, and improved efficiency, serving as better benchmark compounds for high‐performance Mg–S batteries. First principles calculations reveal a charge transport mechanism via electron polaron diffusion in the redox end‐products, that enhances the reaction kinetics. By suppressing polysulfide dissolution in the electrolyte, the use of the KBS1−xSex cathodes also enables a more uniform anode reaction, and thereby significantly extends the cyclability of the cells. To improve the performance, further efforts are made by implementing a Mo6S8 modified separator into the cell. With an optimized cathode composition of KBS0.86Se0.14, the cell applying modified separator shows an improvement of capacity retention by >50% after 200 cycles.

Principle of CoS2/ZnIn2S4 heterostructure effect and its mechanism of action in a visible light-catalyzed antibacterial process

The development of visible-light-driven catalytic antimicrobial technology is a significant challenge. In this study, heterojunctions were constructed for the appropriate modification of semiconductor-based photocatalysts. A simple hydrothermal method was used for material reconstruction, and smaller CoS2 nanoparticles were deposited and in situ grown on two-dimensional nanoflower-like ZnIn2S4 carriers to form CoS2/ZnIn2S4 (CS/ZIS) Schottky heterojunctions. Systematic study via characterization techniques and density functional theory calculations indicated that the excellent photocatalytic activity of CS/ZIS stemmed from the solid interfacial coupling between the two solid-phase materials. These materials acted as co-catalysts to increase the number of active reaction sites, enhance charge transfer, drive unidirectional electron movement, and improve charge separation efficiency, which effectively facilitated the production of reactive oxygen species (ROS). The optimized CS/ZIS heterojunction exhibited excellent performance for the efficient photocatalytic degradation of organic matter and inactivation of Escherichia coli (E. coli) compared with the ZnIn2S4 photocatalyst. Moreover, the antibacterial mechanism of the heterojunction photocatalyst and the extent of damage to the cell membrane and internal cytoplasm were explored by performing various assays. It was demonstrated that superoxide radicals are the predominant active species and multiple ROS act together to cause oxidative stress damage and cell inactivation.