Constructing Dual-Phase Co9S8-CoMo2S4 Heterostructure as an Efficient Trifunctional Electrocatalyst for Oxygen Reduction, Oxygen Evolution and Hydrogen Evolution Reactions.

Designing robust, efficient and inexpensive trifunctional electrocatalysts for the oxygen reduction reaction (ORR), oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) is significant for rechargeable zinc-air batteries and water-splitting devices. To this end, constructing heterogenous structures based on transition metals stands out as an effective strategy. Herein, a dual-phase Co9S8-CoMo2S4 heterostructure grown on porous N, S-codoped carbon substrate (Co9S8-CoMo2S4/NSC) via a one-pot synthesis is investigated as the trifunctional ORR/OER/HER electrocatalyst. The optimized Co9S8-CoMo2S4/NSC2 exhibits that ORR has a half-wave potential of 0.86 V (vs. RHE) and the overpotentials at 10 mA cm-2 for OER and HER are 280 and 89 mV, respectively, superior to most transition-metal based trifunctional electrocatalysts reported to date. The Co9S8-CoMo2S4/NSC2-based zinc-air battery (ZAB) has a high open-circuit voltage (1.41 V), large capacity (804 mA h g-1) and highly stable cyclability (97 h at 10 mA cm-2). In addition, the prepared Co9S8-CoMo2S4/NSC2-based ZAB in series can self-drive the corresponding water electrolyzer. The dual-phase Co9S8-CoMo2S4 heterostructure provides not only multi-type active sites to drive the ORR, OER and HER, but also high-speed charge transfer channels between two phases to improve the synergistic effect and reaction kinetics.

Hierarchical core-shelled CoMo layered double hydroxide@CuCo2S4 nanowire arrays/nickel foam for advanced hybrid supercapacitors.

The development of core-shelled heterostructures with the unique morphology can improve the electrochemical properties of hybrid supercapacitors (HSC). Here, CuCo2S4 nanowire arrays (NWAs) are vertically grown on nickel foam (NF) utilizing hydrothermal synthesis. Then, CoMo-LDH nanosheets are uniformly deposited on the CuCo2S4 NWAs by electrodeposition to obtain the CoMo-LDH@CuCo2S4 NWAs/NF electrode. Due to the superior conductivity of CuCo2S4 (core) and good redox activity of CoMo-LDH (shell), the electrode shows excellent electrochemical properties. The electrode's specific capacity is 1271.4 C g-1 at 1 A g-1, and after 10, 000 cycles, its capacity retention ratio is 92.2 % at 10 A g-1. At a power density of 983.9 W kg-1, the CoMo-LDH@CuCo2S4 NWAs/NF//AC/NF device has an energy density of 52.2 Wh kg-1. This indicates that CoMo-LDH@CuCo2S4/NF has a great potential for supercapacitors.

Metal-Organic Framework-Derived Co9S8 Nanowall Array Embellished Polypropylene Separator for Dendrite-Free Lithium Metal Anodes.

Developing a reasonable design of a lithiophilic artificial solid electrolyte interphase (SEI) to induce the uniform deposition of Li+ ions and improve the Coulombic efficiency and energy density of batteries is a key task for the development of high-performance lithium metal anodes. Herein, a high-performance separator for lithium metal anodes was designed by the in situ growth of a metal-organic framework (MOF)-derived transition metal sulfide array as an artificial SEI on polypropylene separators (denoted as Co9S8-PP). The high ionic conductivity and excellent morphology provided a convenient transport path and fast charge transfer kinetics for lithium ions. The experimental data illustrate that, compared with commercial polypropylene separators, the Li//Cu half-cell with a Co9S8-PP separator can be cycled stably for 2000 h at 1 mA cm-2 and 1 mAh cm-2. Meanwhile, a Li//LiFePO4 full cell with a Co9S8-PP separator exhibits ultra-long cycle stability at 0.2 C with an initial capacity of 148 mAh g-1 and maintains 74% capacity after 1000 cycles. This work provides some new strategies for using transition metal sulfides to induce the uniform deposition of lithium ions to create high-performance lithium metal batteries.

From Zero to Hero: The Cyanide-Free Formation of Amino Acids and Amides from Acetylene, Ammonia and Carbon Monoxide in Aqueous Environments in a Simulated Hadean Scenario.

Amino acids are one of the most important building blocks of life. During the biochemical process of translation, cells sequentially connect amino acids via amide bonds to synthesize proteins, using the genetic information in messenger RNA (mRNA) as a template. From a prebiotic perspective (i.e., without enzymatic catalysis), joining amino acids to peptides via amide bonds is difficult due to the highly endergonic nature of the condensation reaction. We show here that amides can be formed in reactions catalyzed by the transition metal sulfides from acetylene, carbon monoxide and ammonia under aqueous conditions. Some α- and ß-amino acids were also formed under the same conditions, demonstrating an alternative cyanide-free path for the formation of amino acids in prebiotic environments. Experiments performed with stable isotope labeled precursors, like 15NH4Cl and 13C-acetylene, enabled the accurate mass spectroscopic identification of the products formed from the starting materials and their composition. Reactions catalyzed using the transition metal sulfides seem to offer a promising alternative pathway for the formation of amides and amino acids in prebiotic environments, bypassing the challenges posed by the highly endergonic condensation reaction. These findings shed light on the potential mechanisms by which the building blocks of life could have originated on early Earth.

Synthesis and Characterization of MnIn2S4/Single-Walled Carbon Nanotube Composites as an Anode Material for Lithium-Ion Batteries.

In this study, we synthesized a transition metal sulfide (TMS) with a spinel structure, i.e., MnIn2S4 (MIS), using a two-step hydrothermal and sintering process. In the context of lithium-ion battery (LIB) applications, ternary TMSs are being considered as interesting options for anode materials. This consideration arises from their notable attributes, including high theoretical capacity, excellent cycle stability, and cost-effectiveness. However, dramatic volume changes result in the electrochemical performance being severely limited, so we introduced single-walled carbon nanotubes (SWCNTs) and prepared an MIS/SWCNT composite to enhance the structural stability and electronic conductivity. The synthesized MIS/SWCNT composite exhibits better cycle performance than bare MIS. Undergoing 100 cycles, MIS only yields a reversible capacity of 117 mAh/g at 0.1 A/g. However, the MIS/SWCNT composite exhibits a reversible capacity as high as 536 mAh/g after 100 cycles. Moreover, the MIS/SWCNT composite shows a better rate capability. The current density increases with cycling, and the SWCNT composite exhibits high reversible capacities of 232 and 102 mAh/g at 2 A/g and 5 A/g, respectively. Under the same conditions, pristine MIS can only deliver reversible capacities of 21 and 4 mAh/g. The results indicate that MIS/SWCNT composites are promising anode materials for LIBs.

In-situ growth of MOF-derived Co3S4@MoS2 heterostructured electrocatalyst for the detection of furazolidone.

The over-exploitation of antibiotics in food and farming industries ruined the environmental and human health. Consequently, electrochemical sensors offer significant advantages in monitoring these compounds with high accuracy. Herein, MOF-derived hollow Co3S4@MoS2 (CS@MS) heterostructure has been prepared hydrothermally and applied to fabricate an electrochemical sensor to monitor nitrofuran class antibiotic drug. Various spectroscopic methodologies have been employed to elucidate the structural and morphological information. Our prepared electrocatalyst has better electrocatalytic performance than bare and other modified glassy carbon electrodes (GCE). Our CS@MS/GCE sensor exhibited a highly sensitive detection by offering a low limit of detection, good sensitivity, repeatability, reproducibility, and stability results. In addition, our sensor has shown a good selectivity towards the target analyte among other potential interferons. The practical reliability of the sensor was measured by analyzing various real-time environmental and biological samples and obtaining good recovery values. From the results, our fabricated CS@MS could be an active electrocatalyst material for an efficient electrochemical sensing application.

Interface engineering of three-phase nickel-cobalt sulfide/nickel phosphide/iron phosphide heterostructure for enhanced water splitting and urea electrolysis.

Rational designing efficient transition metal-based multifunctional electrocatalysts is highly desirable for improving the efficiency of hydrogen production from water cracking. Herein, a self-supported three-phase heterostructure electrocatalyst of nickel-cobalt sulfide/nickel phosphide/iron phosphide (CoNi5S8-Ni2P-FeP2) was prepared by a two-step gas-phase sulfurization/phosphorization strategy. The heterostructure in CoNi5S8-Ni2P-FeP2 provides a favorable interfacial environment for electron transfer and synergistic interaction of multiphase active components, while the introduced electronegative P/S not only serves as a carrier for proton capture in the hydrogen evolution reaction (HER) process but also promotes the metal-electron outflow, which in turn accelerates the generation of high-valent Ni3+ species to enhance the catalytic activity of oxygen evolution reaction (OER) and urea oxidation reaction (UOR). As expected, CoNi5S8-Ni2P-FeP2 reveals excellent multifunctional electrocatalytic properties. An overpotential of 35/215 mV is required to reach 10 mA cm-2 for HER/OER. More encouragingly, a current of 100 mA cm-2 requires only 1.36 V for UOR with CoNi5S8-Ni2P-FeP2 as anode, which is much lower as compared to the OER (1.50 V). Besides, a two-electrode water/urea electrolyzer assembled based on CoNi5S8-Ni2P-FeP2 has a voltage of only 1.59/1.48 V when the system reaches 50 mA cm-2. This work provides a new idea for the design of energy-efficient water/urea-assisted water-splitting multifunctional catalysts with multi-component heterostructure synergistic interface engineering.

Interfacial Chemistry and Catalysis of Inorganic Materials.

Heterogeneous catalysis is essential to most industrial chemical processes. To achieve a better sustainability of these processes we need highly efficient and highly selective catalysts that are based on earth-abundant materials rather than the more conventional noble metals. Here, we discuss the potential of inorganic materials as catalysts for chemical transformations focusing in particular on the promising transition metal phosphides and sulfides. We describe our recent and current efforts to understand the interfacial chemistry of these materials that governs catalysis, and to tune catalytic reactivity by controlled chemical modification of the material surfaces and by use of interfacial electric fields.

Construction of CoNi2S4/Co9S8@Co4S3 nanocubes derived from Ni-Co prussian blue analogues@cobalt carbonate hydroxide core-shell heterostructure for asymmetric supercapacitor.

Construction of Prussian blue analogues (PBAs) with heterostructure is beneficial to preparing PBAs derivatives with superior electrochemical performance. In this work, the core-shell nanostructured nanocubes composed of nickel hexacyanocobalt PBA (NiCo-PBA)@cobalt carbonate hydroxide (CCH) are synthesized through an in-situ epitaxial growth strategy, and the formation mechanisms of coating are carefully validated and specifically discussed. Then, the precursors are successfully transformed into hierarchical CoNi2S4/Co9S8@Co4S3 via the gas-phase vulcanization method. Benefiting from the intriguing heterostructure and multicomponent sulfides, the CoNi2S4/Co9S8@Co4S3-80 electrode exhibits a high specific capacity of 799 ± 16C/g (specific capacitance of 1595 ± 31F/g) at 1 A/g, ultra-high capacity retention of 80 % at a high current density of 20 A/g. The assembled asymmetric supercapacitor (ASC) device delivers a high energy density of 43.3 Wh kg-1 at a power density of 899 W kg-1 and exhibits superior cycling stability with the capacity retention of 88 % after 5,000 cycles. Subsequently, the fabricated all-solid-state ASC device shows an excellent energy density of 36.4 Wh kg-1 with a power density of 824 W kg-1. This work proposing rational design of combining multicomponent sulfides and core-shell heterostructure based on PBA nanocubes opens up a novel route for developing asymmetric supercapacitor electrode materials with superior performance.

Metal-organic framework derived transition metal sulfides grown on carbon nanofibers as self-supported catalysts for hydrogen evolution reaction.

Metal-organic framework (MOF) derived transition metal-based electrocatalysts have received great attention as substitutes for noble metal-based hydrogen evolution catalysts. However, the low conductivity and easy detachments from electrodes of raw MOF have seriously hindered their applications in hydrogen evolution reaction. Herein, we report the facile preparation of Co-NSC@CBC84, a porous carbon-based and self-supported catalyst containing Co9S8 active species, by pyrolysis and sulfidation of in-situ grown ZIF-67 on polydopamine-modified biomass bacterial cellulose (PDA/BC). As a binder-free and self-supported electrocatalyst, Co-NSC@CBC84 exhibits superior electrocatalytic properties to other reported cobalt-based sulfide catalytic materials and has good stability in 0.5 M H2SO4 electrolyte. At the current density of 10 mA cm-2, only an overpotential of 138 mV was required, corresponding to a Tafel slope of 123 mV dec-1, owing to the strong synergy effect between Co-NSC nanoparticles and CBC substrate. This work therefore provides a feasible approach to prepare self-supported transition metal sulfides as HER catalysts, which is helpful for the development of noble metal-free catalysts and biomass carbon materials.

Nickel doping of ferrous disulfide nanocubes exhibits enhanced oxidase-like activity for In vitro detection of total antioxidant capacity.

The development of nanomaterials that mimic oxidase-like activities has recently attracted an increasing amount of attention. Obtaining highly active and cost-effective oxidase mimics has posed a significant challenge in this area of research. In this study, we successfully synthesized nickel-doped ferrous disulfide nanocubes (Ni-FeS2) via a facile one-step method. Characterization by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed that Ni was predominantly distributed within the surface layer of the Ni-FeS2 nanocubes. The incorporation of nickel in density functional theory (DFT) calculations effectively reduced the d-band center of Fe, resulting in weakened adsorption to intermediates and thereby enhancing its catalytic efficiency. Moreover, we developed a novel approach based on Ni-FeS2 (the Ni-FeS2 method) for detecting reducing substances, which exhibited good sensitivity toward ascorbic acid (AA), glutathione (GSH), and cysteine (Cys). Remarkably, the established Ni-FeS2 method was successfully employed for in vitro assessment of total antioxidant capacity (TAC) in cellular and organ samples, thereby enabling discrimination between normal, senescent, and malignant cells as well as distinguishing among healthy liver tissue, cancerous liver tissue, and metastatic organs.

Multifunctional Interlayer Engineering for Silkworm Excrement-Derived Porous Carbon Enabling High-Energy Lithium Sulfur Batteries.

Lithium-sulfur (Li-S) batteries show advantage of high theoretical capacity. However, the shuttle effect of polysulfides and sluggish sulfur redox kinetics seriously reduce their service life. Inspired by the porous structural features of biomass materials, herein, a functional interlayer is fabricated by silkworm excrement-derived three-dimensional porous carbon accommodating nano sized CoS2 particles (SC@CoS2 ). The porous carbon delivers a high specific surface area, which provides adequate adsorption sites, being responsible for suppressing the shuttle effect of polysulfides. Meanwhile, the porous carbon is favorable for hindering the aggregation of CoS2 and maintaining its high activity during extended cycles, which effectively accelerates the polysulfides conversion kinetics. Moreover, the SC@CoS2 functional interlayer effectively limits the formation of Li dendrites and promotes the uniform deposition of Li on the Li electrode surface. As a result, the CMK-3/S cathode achieves a high initial capacity of 1599.1 mAh g-1 at 0.2 C rate assisted by the polypropylene separator coated with the functional interlayer and 1208.3 mAh g-1 is maintained after the long cycling test. This work provides an insight into the designing of long-lasting catalysts for stable functional interlayer, which encourages the application of biomass-derived porous carbon in high-energy Li-S batteries.

Recycling the Spent LiNi1- x - yMnxCoyO2 Cathodes for High-Performance Electrocatalysts toward Both the Oxygen Catalytic and Methanol Oxidation Reactions.

The traditional recycling methods of the spent lithium ion batteries (LIBs) involve the intricate and cumbersome steps. This work proposes a facile method of acid leaching followed by the sulfurization treatment to achieve the high Li leaching efficiency, and obtain high-performance multi-function electrocatalysts for oxygen reduction (ORR), oxygen evolution (OER), and methanol oxidation reactions (MOR) from the spent LIB ternary cathodes. By this method, the Li leaching efficiency from the spent LIB ternary cathode can reach 98.3%, and the transition metal sulfide heterostructures (LNMCO-H-450S) consisting MnS, NiS2, and NiCo2S4 phases can be obtained. LNMCO-H-450S shows the superior bifunctional oxygen catalytic activities with ORR half-wave potential of 0.763 V and OER potential at 10 mA cm-2 of 1.561 V, surpassing most of the state-of-the-art electrocatalysts. LNMCO-H-450S also demonstrates the superior MOR catalytic activity with the potential at 100 mA cm-2 being 1.37 V. Using LNMCO-H-450S as the oxygen catalyst, this work can construct the aqueous and solid-state zinc-air batteries with high power density of 309 and 257 mW cm-2, respectively. This work provides a promising strategy for the efficient recovery of Li, and reutilization of Ni, Co, and Mn from the spent LIB ternary cathodes.

Surface reconstruction of pyrite-type transition metal sulfides during oxygen evolution reaction.

Reconstruction universally occurs over non-layered transition metal sulfides (TMSs) during oxygen evolution reaction (OER), leading to the formation of active species metal (oxy)hydroxide and thus significantly influences the OER performance. However, the reconstruction process and underlying mechanism quantitatively remain largely unexplored. Herein, we proposed an electrochemical reaction mechanism, namely sulfide oxidation reaction (SOR), to elucidate the reconstruction process of pyrite-type TMSs. Based on this mechanism, we evaluated the reconstruction capability of NiS2 doped with transition metals V, Cr, Mn, Fe, Co, Cu, Mo, Ru, Rh, and Ir within different doped systems. Two key descriptors were thus proposed to describe the reconstruction abilities of TMSs: USOR (the theoretical electric potential of SOR) and ΔU (the difference between the theoretical electric potential of SOR and OER), representing the initiation electric potential of reconstruction and the intrinsic reconstruction abilities of TMSs, respectively. Our finding shows that a lower USOR readily initiate reconstruction at a lower potential and a larger ΔU indicating a poorer reconstruction ability of the catalyst during OER. Furthermore, Fe-doped CoS2 was used to validate the rationality of our proposed descriptors, being consistent with the experiment findings. Our work provides a new perspective on understanding the reconstruction mechanism and quantifying the reconstruction of TMSs.

Multisite Cocatalysis: Single atomic Pt2+/Pt0 active sites synergistically improve the simulated sunlight driven H2O-to-H2 conversion performance of Sb2S3 nanorods.

Single atomic metal (SAM) cocatalysis is a potential strategy to improve the performance of photocatalytic materials. However, the cocatalytic mechanism of SAM sites in different valence states is rarely reported. Herein, single atomic Pt2+/Pt0 active sites were anchored on Sb2S3 nanorods to synergistically improve the photoactivity for hydrogen production under simulated sunlight. Experimental results and density functional theory calculations indicated that the coexistence of single atomic Pt2+/Pt0 sites synergistically improves the broadband light harvesting and promotes the Sb2S3-to-Pt electron transfer following inhibited photoexciton recombination kinetics and enhanced H proton adsorption capacity, resulting higher and more durable photoactivity for hydrogen production. Therefore, the optimal Sb2S3-Pt0.9‰ composite catalyst achieved remarkably enhanced hydrogen evolution rate of 1.37 mmol∙g-1∙h-1 (about 105-fold greater of that of Sb2S3 NRs) under faintly alkaline condition, and about 5.41 % of apparent quantum yield (AQY700 nm) was achieved, which shows obvious superiority in hydrogen production by contrasting with the reported Sb2S3-based photocatalysts and conventional semiconductor photocatalytic materials modified with noble metals. This study elucidate a well-defined mechanism of multisite cocatalysis for photoactivity improvement.

Highly Reversible Lithium-Ion Battery with Excellent Rate Performance and Cycle Stability Based on a Ti3C2/CoS2 Composite Anode.

Transition metal sulfide (TMS) CoS2 is considered an ideal anode material for new-generation lithium-ion batteries (LIBs) because of its high specific capacity, high electrochemical activity, and low cost. However, CoS2 is prone to volume expansion and structural collapse when it participates in the internal conversion reaction of the battery, which limits its practical application. After analyzing the failure mechanism of CoS2 as the anode material of LIBs, the concept of nanoengineered materials is introduced here. CoS2 particles are nanosized and stabilized by constructing a composite structure on an alkali-treated two-dimensional Ti3C2 Mxene conductive network. Both experiments and theoretical calculations show that special Ti-O-Co bonds are formed at the interface of the Ti3C2/CoS2 composite through oxygen-containing functional groups. Ti-O-Co bonding with adjustable electronic characteristics can effectively promote the utilization rate of anode materials, electronic conductivity, and ionic diffusivity and thus enhance the redox reaction kinetics of the device. When the Ti3C2/CoS2 composite is used as the anode material for LIBs, it still provides a high specific capacity of 405.8 mAh g-1 after 100 cycles at 0.1 A g-1. After running for 1000 cycles at a high current of 1 A g-1, the capacity retention is still close to 100%. Also, high cycle stability under the condition of highly active material loading (10.58 mg cm-2) and low electrolyte/active material ratio (10 µL mg-1) is achieved. This work provides a new idea for the development of commercial LIBs as anode materials.

Binary Metallic CuCo5 S8 Anode for High Volumetric Sodium-Ion Storage.

With the rapid improvement of compact smart devices, fabricating anode materials with high volumetric capacity has gained substantial interest for future sodium-ion batteries (SIBs) applications. Herein, a novel bimetal sulfide CuCo5 S8 material is proposed with enhanced volumetric capacity due to the intrinsic metallic electronic conductivity of the material and multi-electron transfer during electrochemical procedures. Due to the intrinsic metallic behavior, the conducting additive (CA) could be removed from the electrode fabrication without scarifying the high rate capability. The CA-free CuCo5 S8 electrode can achieve a high volumetric capacity of 1436.4 mA h cm-3 at a current density of 0.2 A g-1 and 100 % capacity retention over 2000 cycles in SIBs, outperforming most metal chalcogenides, owing to the enhanced electrode density. Reversible conversion reactions are revealed by combined measurements for sodium systems. The proposed new strategy offers a viable approach for developing innovative anode materials with high-volumetric capacity.

Soft-Rigid Heterostructures with Functional Cation Vacancies for Fast-Charging and High-Capacity Sodium Storage.

Optimizing charge transfer and alleviating volume expansion in electrode materials are critical to maximize electrochemical performance for energy-storage systems. Herein, an atomically thin soft-rigid Co9 S8 @MoS2 core-shell heterostructure with dual cation vacancies at the atomic interface is constructed as a promising anode for high-performance sodium-ion batteries. The dual cation vacancies involving VCo and VMo in the heterostructure and the soft MoS2 shell afford ionic pathways for rapid charge transfer, as well as the rigid Co9 S8 core acting as the dominant active component and resisting structural deformation during charge-discharge. Electrochemical testing and theoretical calculations demonstrate both excellent Na+ -transfer kinetics and pseudocapacitive behavior. Consequently, the soft-rigid heterostructure delivers extraordinary sodium-storage performance (389.7 mA h g-1 after 500 cycles at 5.0 A g-1 ), superior to those of the single-phase counterparts: the assembled Na3 V2 (PO4 )3 ||d-Co9 S8 @MoS2 /S-Gr full cell achieves an energy density of 235.5 Wh kg-1 at 0.5 C. This finding opens up a unique strategy of soft-rigid heterostructure and broadens the horizons of material design in energy storage and conversion.

Hierarchical Design of CuO/Nickel-Cobalt-Sulfide Electrode by a Facile Two-Step Potentiostatic Deposition.

Herein, a scalable electrodeposition strategy is proposed to achieve hierarchical CuO/nickel-cobalt-sulfide (NCS) electrodes using two-step potentiostatic deposition followed by high-temperature calcination. The introduction of CuO provides support for the further deposition of NSC to ensure a high load of active electrode materials, thus generating more abundant active electrochemical sites. Meanwhile, dense deposited NSC nanosheets are connected to each other to form many chambers. Such a hierarchical electrode prompts a smooth and orderly transmission channel for electron transport, and reserves space for possible volume expansion during the electrochemical test process. As a result, the CuO/NCS electrode exhibits superior specific capacitance (Cs) of 4.26 F cm-2 at 20 mA cm-2 and remarkable coulombic efficiency of 96.37%. Furthermore, the cycle stability of the CuO/NCS electrode remains at 83.05% within 5000 cycles. The multistep electrodeposition strategy provides a basis and reference for the rational design of hierarchical electrodes to be applied in the field of energy storage.

Construction of Core-shell Sb2 s3 @Cds Nanorod with Enhanced Heterointerface Interaction for Chromium-Containing Wastewater Treatment.

How to collaboratively reduce Cr(VI) and break Cr(III) complexes is a technical challenge to solve chromium-containing wastewater (CCW) pollution. Solar photovoltaic (SPV) technology based on semiconductor materials is a potential strategy to solve this issue. Sb2 S3 is a typical semiconductor material with total visible-light harvesting capacity, but its large-sized structure highly aggravates disordered photoexciton migration, accelerating the recombination kinetics and resulting low-efficient photon utilization. Herein, the uniform mesoporous CdS shell is in situ formed on the surface of Sb2 S3 nanorods (NRs) to construct the core-shell Sb2 S3 @CdS heterojunction with high BET surface area and excellent near-infrared light harvesting capacity via a surface cationic displacement strategy, and density functional theory thermodynamically explains the breaking of SbS bonds and formation of CdS bonds according to the bond energy calculation. The SbSCd bonding interaction and van der Waals force significantly enhance the stability and synergy of Sb2 S3 /CdS heterointerface throughout the entire surface of Sb2 S3 NRs, promoting the Sb2 S3 -to-CdS electron transfer due to the formation of built-in electric field. Therefore, the optimized Sb2 S3 @CdS catalyst achieves highly enhanced simulated sunlight-driven Cr(VI) reduction (0.154 min-1 ) and decomplexation of complexed Cr(III) in weakly acidic condition, resulting effective CCW treatment under co-action of photoexcited electrons and active radicals. This study provides a high-performance heterostructured catalyst for effective CCW treatment by SPV technology.