Binary Metal Sulfides Research Articles

A facile strategy for synthesis of flower-like FeNiS2 nanocomposite via integration of binary metal-organic framework and metal sulfide for enhanced electrocatalytic oxygen evolution reaction

Researchers are looking into boosted functional materials to address the rising demand for enhanced energy storage and efficient catalysts in producing and storing sustainable energy. Here, we report the development of an integrated binary metallic FeNi metal-organic framework (MOF) through a unique method termed reductive electrosynthesis. This MOF provides customized catalytic sites inside a highly porous material by connecting metal cations via 2-amino terephthalic acid connectors. However, the poor electrical conductivity and stability of pristine MOFs have made their practical implementation difficult. A thin FeNiS2/nickel foam (NF) nanocomposite based on the precursor and self-sacrificed FeNi-MOF template was developed to get beyond these restrictions. In addition to improving electrical conductivity, this unique structure supports FeNi-MOF porous structure. As a result, the outstanding functional electrocatalytic performance of FeNiS2/NF on oxygen evolution reaction in alkaline media was observed at low overpotential of ηj10 = 280 mV and a tafel slope of 35 mV/dec. This study provides a feasible way to produce highly stable and active nonprecious electrocatalysts for commercial water electrolysis applications.

High-capacity and high-stability capacitive desalination with dual redox-active MnCo2S4/g-C3N4 heterojunction electrode

Capacitive deionization (CDI) utilizing dual redox-active electrodes has shown significant promise in desalinating low-concentration brackish waters, which is crucial for addressing global freshwater shortages. However, improvements in salt adsorption capacity and long-term operational stability are still required. In this study, we introduce, for the first time, a binary metal sulfide MnCo2S4/g-C3N4 (MCS-CN) heterojunction as a CDI electrode. The innovative integration of dual redox-active centers and heterojunction structures in the MCS-CN composite electrodes underscores their potential for achieving both high capacity and stability in capacitive desalination applications. The microscopic morphology, crystal structure, pore structure, and surface valence properties of the MCS-CN heterojunction composite materials were extensively characterized using various analytical techniques. In-situ X-ray diffraction, refined ex-situ X-ray photoelectron spectroscopy, three-electrode electrochemical analysis, and theoretical calculations were employed to elucidate the electrosorption and desorption mechanisms of sodium ions with the MCS-CN electrodes and to clarify the enhanced desalination performance of the binary metal sulfide-based heterojunction structure. As a result, the optimal MCS-CN-40 electrode exhibited the highest salt removal capacity of 71.64 mg g−1 and maintained stable desalination performance over 100 cycles in a 500 mg L−1 NaCl solution. This innovative approach provides a noval perspective for developing heterojunction electrodes with high redox activity and efficient desalination performance.

Bi2WO6 and TiS2 composite nanostructures displaying synergetic boosted energy storage in supercapacitor

The enhancement in the capacitance of a supercapacitor has been successfully achieved by synthesizing Bi2WO6 (BW), TiS2 (T), and Bi2WO6/TiS2 (BW/T) composites utilizing the hydrothermal process. The possible growth mechanism has also been presented. The morphological and structural characteristics of the cultivated samples were observed using FT-IR, XRD, SEM, EDS, and UV–vis spectroscopy techniques. TiS2 nano platelets uniformly dispersed across the hierarchically opened surface of Bi2WO6 in the synthesized hierarchical composite. This leads to an increase in surface porosity and surface area, which in turn enhances the transport of electrons and ions on the composite BW/T surface. The optimal electrode BW/T@40 % composite electrode shown a substantial enhancement in particular capacitance (1153.3 F/g) compared to the separate BW (523.7 F/g) and T (453.3 F/g) electrodes due to its rapid ion transfer, many active sites on its large surface area, and strong synergistic impact. Furthermore, the BW/T@40 % combination demonstrated exceptional stability, with over 92 % of its capacitance maintained after 4500th cycles and b value (0.71) proved the supercapacitor behavior. Therefore, BW/T@40 % binary metal oxide and sulfide composites exhibit improved specific capacitance and greatly prolonged life-cycle, confirming its potential use in high-performance energy storage devices.

Exploiting the potential of mesoporous NiMoO4/TiS2 composite for enhanced electrochemical supercapacitor performance

The mesoporous electrode material offers a high surface area, excellent porous texture, and optimal pore-size distribution, facilitating increased active sites for ion accretion and enhanced ionic diffusion rates. NiMoO4, TiS2, and their composites such as NT-1, NT-2, NT-3, and NT-4 composites have been prepared by hydrothermal approach to enhance the capacitance of supercapacitor electrodes. Different methodologies have been employed to analyze the optical, morphological and structural characteristics of the synthesized materials. X-ray diffraction was utilized to assess the crystalline nature of both the pristine materials and composites. Scanning electron microscopy examination confirmed the formation of mesoporous and irregular nanoparticles with sizes ranging from 50 to 100 nm. Fourier-transform infrared spectroscopy was employed to examine the stretching vibrations of the prepared samples. Through photoluminescence (PL) analysis, the energy band gap of the NT-1 composite was decisive to be 2.78 eV. The NT-1 composite exhibits an impressive specific capacitance of 1257.14 Fg−1 at 1 Ag−1, attributed to its huge surface area, efficient charge transfer, and synergistic effect while demonstrating remarkable stability after 5000 cycles with 92% capacitance retention. Therefore, NT-1 binary metal sulfide composite unleashes high-performance supercapacitors with remarkable specific capacitance and cyclic stability.

CoMnS@rGO nanocomposite grown on NF for high-performance supercapacitor-battery hybrid device and advancing electrochemical sensitivity

The co-electrodeposition approach has been widely used to synthesize the transition metal sulfides/oxides because of remarkable performance of the energy storage devices. In this research, cobalt manganese sulfide (CoMnS) binary compounds are synthesized using the co-electrodeposition approach. The main objective is to investigate the optimal number of depositing periods in cyclic voltammetry while maintaining a constant scan rate. The electrodes without binders are produced using a rapid synthesis approach, which involves assessing binary metal sulfide to achieve a significantly enhanced energy storage capacity. Further, the rGO is incorporated into the CoMnS to enhance the electrochemical properties. The CoMnS@rGO electrode showed the specific capacitance (Cs) of 2357 F/g because of the small equivalent series resistance values as determined through electrochemical impedance spectroscopy (EIS) measurement, indicating a higher level of conductivity. The hybrid electrode showed high values of energy and power densities of 50.8 Wh/kg and 3440 W/kg, respectively. Besides, the nanocomposite electrode is used as a chemical sensor and precisely detects the multiple elements. The estimated value of R2 is 0.994 because of the high sensitivity. The hybrid electrode showed a signal-to-noise ratio (S/N) of 5. Furthermore, based on four observations, the comparative standard deviation (RSD) is calculated to be 1.9 %. The device showed high electrochemical glucose detection sensitivity. The nanocomposite-based electrodes provide a platform for designing novel multifunctional devices.

Enhancement of superconducting transition temperature and exotic stoichiometries in the Lu−S system under high pressure

Binary metal sulfides are a potential family of materials for exploring high Tc superconductors under high pressure. In this work, we study the crystal structures, electronic structures, and superconducting properties of the Lu-S system in the pressure range from 0 to 200 GPa, combining crystal structure predictions with calculations. We predict 15 unique structures, encompassing seven unidentified stoichiometries. Within the S-rich structures, the formation of S atom cages is beneficial for superconductivity, with the superconducting transition temperature 25.86 and 25.30 K for LuS6−C2/m at 70 GPa and LuS6−R−3m at 90 GPa, respectively. With the Lu/(Lu+S) ratio increases, the Lu-d electrons participate more in the electronic properties at the Fermi energy, resulting in the coexistence of superconductivity and topological nontriviality of LuS2−Cmca, as well as the superconductivity of predicted Lu-rich compounds. Our calculation is helpful for understanding the exotic properties in the transition metal sulfides system under high pressure, providing the possibility of designing alternative superconductors for future experimental and theoretical works. Published by the American Physical Society 2024

Nanostructured binary transition-metal-sulfides and nanocomposites as high-performance electrodes for hybrid supercapacitors

Supercapacitors (SCs) are attractive as promising energy storage devices because of their distinctive attributes, such as high power density, good current charge/discharge ability, excellent cyclic stability, reasonable safety, and low cost. Electrode materials play key roles in achieving excellent performance of these SCs. Among them, binary transition metal sulfides (BTMSs) have received significant attention, attributed to their high conductivity, abundant active sites, and excellent electrochemical properties. This topic review aims to summarize recent advances in principles, design, and evaluation of the electrochemical performance for nanostructured BTMSs (including nickel–cobalt sulfides, zinc–cobalt sulfides, and copper–cobalt sulfides.) and their nanocomposites (including those carbon nanomaterials, transition metal oxides, binary transition metal oxides, transition metal sulfides, and polymers). Nanostructuring of these BTMSs and nanocomposites as well as their effects on the performance were discussed, including nanoparticles, nanospheres, nanosheets, nanowires, nanorods, nanotubes, nanoarrays, and hierarchitectured nanostructures. Their electrochemical performance has further been reviewed including specific capacitance, conductivity, rate capability, and cycling stability. In addition, the performance of hybrid supercapacitors (HSCs) assembled using the nanostructured BTMSs as the cathodes also have been summarized and compared. Finally, challenges and further prospects in the HSCs-based BTMS electrodes are presented.

Hierarchical flower bud-like P, W co-doped NiCo2S4@MoS2 composites as high-performance electrodes for asymmetric supercapacitor

Engineering binary transitional metal sulfides (BTMSs)-based electrode materials with a rationally designed constituent architecture is a viable strategy for improving their rate capability and electrochemical durability, which provides a possibility for their application in supercapacitors (SCs). Herein, a novel three-dimensional (3D) flower bud-like phosphorus and tungsten co-doped NiCo2S4 and MoS2 composites (P, W-NCS@MS) is prepared on conductive carbon cloth using the hydrothermal method. The effects of P, W-doping, or MoS2-combination on the morphology, structure and electrochemical properties of NiCo2S4-based electrode materials are systematically studied. The designed P, W-NCS@MS achieves a high specific capacity of 1250C g−1 at 1 A g−1 and a satisfactory capacity retention of 80 % after 10,000 cycles. In addition, the asymmetric supercapacitor (ASC) constructed through P, W-NCS@MS and activated carbon electrodes delivers a high energy density of 65.0 Wh kg−1 at the power density of 400 W kg−1 and shows satisfactory cycling stability of 85 % capacitance retention after 20,000 cycles. Notably, the assembled ASC device successfully powered electronic devices in a serial circuit, highlighting its prospective applications in energy storage. This work offers a viable design approach for heteroatom doping and hierarchical interface structures in composite electrode materials toward high-performance SCs.

One-step preparation of Ni–Co binary metal sulfides on reduced graphene oxide for all-solid-state supercapacitor devices with enhanced electrochemical performance

The electrochemical performance of a material is primarily determined by its composition, working mechanism, and electronic conductivity. We derive design recommendations of a simple route for preparing Ni–Co binary metal sulfides (NCS) on reduced graphene oxide (rGO) with outstanding electrochemical properties for all-solid-state supercapacitor fabrication. The combination of the two energy storage mechanisms and the synergistic effect between the redox centers are the main reasons for the excellent electrochemical performance of the rGO/NCS material compare to pristine rGO and NCS materials. Specifically, the rGO/NCS material exhibits a specific capacity 125 % higher than that of NCS material and becomes higher up to 224 % compared to the counterpart of the rGO at a current density of 2 A g−1, retention of up to 95.7% initial specific capacity after 10,000 cycles. In addition, in the power density ranging from 1.6 to 16 kW kg−1 the all-solid-state supercapacitor device based rGO/NCS material exhibited an energy density from 23.6 to 47.2 Wh kg−1. And thus, this work indicates that rGO/NCS is a potential material for manufacturing all-solid-state supercapacitors.

Removal of Emerging Organic Pollutants by Zeolite Mineral (Clinoptilolite) Composite Photocatalysts in Drinking Water and Watershed Water

One of the most challenging problems for people around the world is the lack of clean water. In the past few decades, the massive discharge of emerging organic pollutants (EOPs) into natural water bodies has exacerbated this crisis. Considerable research efforts have been devoted to removing these EOPs due to their biotoxicity at low concentrations. Heterogeneous photocatalysis via coupling clay minerals with nanostructured semiconductors has proven to be an economical, efficient, and environmentally friendly technology for the elimination of EOPs in drinking water and watershed water. Natural zeolite minerals (especially clinoptilolites) are regarded as appropriate supports for semiconductor-based photocatalysts due to their characteristics of having a low cost, environmental friendliness, easy availability, co-catalysis, etc. This review summarizes the latest research on clinoptilolites used as supports to prepare binary and ternary metal oxide or sulfide semiconductor-based hybrid photocatalysts. Various preparation methods of the composite photocatalysts and their degradation efficiencies for the target contaminants are introduced. It is found that the good catalytic activity of the composite photocatalyst could be attributed to the synergistic effect of combining the clinoptilolite adsorbent with the semiconductor catalyst in the heterogeneous system, which could endow the composites with an excellent adsorption capacity and produce more e−/h+ pairs under suitable light irradiation. Finally, we highlight the serious threat of EOPs to the ecological environment and propose the current challenges and limitations, before putting the zeolite mineral composite photocatalysts into practice. The present work would provide a theoretical basis and scientific support for the application of zeolite-based photocatalysts for degrading EOPs.

Construction of binary metal sulfide nanoparticles to boost catalytic activity for lithium-sulfur batteries

Lithium-sulfur batteries (LSBs) are considered viable options for the next generation of energy storage devices owing to their remarkable theoretical advantages.However, the further practical implementation the LSBs is hindered by certain challenges, including the shuttle effect and the slow reaction kinetics associated with soluble lithium polysulfides (LiPSs). Herein, Co9S8–MoS2/PC nanoparticles with a polyhedral structure are designed as effective host materials to tackle these challenges.The electrocatalysis activity of Co9S8–MoS2/PC nanoparticles can be maximized via tuning the ratio of metal ions in the precursor. The experimental results reveal that Co9S8–MoS2/PC nanoparticles could enhance the transfer of electrons and ions, reinforce the interaction with LiPSs, and accelerate the redox reaction kinetics of LiPSs. The LSBs with optimal S@Co9S8–MoS2/PC(5:1) cathode achieve an enhanced rate capability, a high specific capacity, and long cycle life with a capacity decay of 0.059 % per cycle over 500 cycles at 0.5C. This work demonstrates the great potential of binary metal sulfide nanoparticles for the effective conversion of LiPSs in LSBs.

Binary transition metal sulfides MoS2–NiS2 anchored on biomass-derived carbon for improved performance of lithium–sulfur batteries

The poor electrical conductivity of sulfur and electrochemically active solid-state products (Li2Sn, n = 1–3), and the shuttle effect have led to the low cycling stability of lithium-sulfur batteries and the low utilization of the sulfur cathode. In this work, 3D porous biomass-derived carbon material (KMC) was prepared from Miscanthus sinensis by KOH activation. The transition metal sulfide with excellent adsorption and catalytic characteristics was effectively combined with the conductive porous biomass-derived carbon material, and a KMC/MoS2−NiS2 composite material was obtained. The product was characterized by field emission scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and Raman spectroscopy. Results show that MoS2−NiS2 nanoparticles can be uniformly distributed on the porous carbon material. Electrochemical measurements reveal that with an initial specific capacity of 1292 mA h g–1 at a current density of 0.1 C. After 400 cycles at 0.5 C, the specific capacity of KMC/MoS2−NiS2/S decays from 1007 to 814 mA h g–1. Thus, the capacity decay rate per cycle is about 0.054 %. This strategy provides a new idea for developing lithium−sulfur batteries with attractive performance.

Ultrahigh-energy-density supercapacitors based on all-pseudocapacitive binary metal sulfide–MXene composites

MXene-based cathode (c-Mx) and anode (a-Mx) electrodes were synthesized by incorporating binary metal sulfide nanoparticles between Ti3C2Tx sheets. c-Mx and a-Mx were used to fabricate all-pseudocapacitive MXene SCs.

Bimetallic zinc-cobalt sulfides embedded within N, S-codoped hollow carbon polyhedra for superior lithium-ion batteries

Binary transitional metal sulfides, as the anodes for lithium-ion batteries, have attracted increasing attention due to their high specific capacity, low cost, and environmental benignity. However, their relatively large volume variation and inferior reaction kinetics always result in unsatisfactory electrochemical performance. Herein, an approach is presented to facilely fabricate Zn-Co-S nanoparticles embedded in N, S-codoped carbon polyhedra (Zn-Co-S@NS-CP) using dopamine-coated metal–organic-frameworks as sacrificial precursors. During pyrolysis process, Co2+/Co3+ is introduced to ZnS lattice by partially substitution of Zn2+, and the Zn-Co-S nanoparticles are evenly anchored close to sulfur sites in the porous hollow carbon shell. The as-synthesized product inherits a unique hierarchical structure with interconnected conductive network. As a result, the optimized Zn-Co-S@NS-CP exhibits excellent lithium storage performance, including a high reversible capacity of 740 mAh g-1 at a current density of 1.12 Ag-1 as well as superior cyclic stability. Meanwhile, a notable capacity increasement upon cycling is observed, which can be ascribed to the phase separation of the lithiated products, creating more reactive sites and promoting lithium ion transportation as well as the reversible growth of polymer layer over the electrodes, further facilitating the capacity increment in the long-term cycling.

In Situ Sol-Gel Assembly of Graphitic Carbonitride Nanosheet-Supported Colloidal Binary Metal Sulfide into Nanosandwich-Like Multifunctional 3D Macroporous Aerogel Catalysts for Asymmetric Supercapacitor and Electrocatalytic Oxygen and Hydrogen Evolution

It is challenging to develop scalable and stable multifunctional catalysts for energy storage and conversion applications. To address the above challenges, we designed 3D macroporous nanosandwich-like aerogels using an in situ sol-gel assembly for 2D g-C3N4 nanosheet-supported NiCo2S4 nanoporous aerogels. The resultant in situ method not only assembles NiCo2S4 but also 2D g-C3N4 into the sandwich-like 3D network, allowing rapid ion and electron transport. The potential of g-C3N4 and NiCo2S4 in electrochemical energy storage and electrocatalysis is promising for improving its electrochemical activities. The synthesized 3D NiCo2S4/g-C3N4 (3%) composite aerogel electrode achieved a remarkable specific capacitance value, 1083 F·g-1 at 5 mA·cm-2 current density with 87.03% cyclic stability. Furthermore, the asymmetric electrochemical supercapacitor device was fabricated with a maximum specific energy of 43 Wh·kg-1, with outstanding electrochemical stability of about 97% over 10,000 charge/discharge cycles. In addition, NiCo2S4/g-C3N4 (3%) catalysts achieved 294 and 155 mV as oxygen and hydrogen evolution reaction overpotentials, respectively, at 20 and 10 mA·cm-2 current density values. This study provides a new method for the conversion of 2D sheets and 0D colloidal network into 3D macroporous nanocomposite aerogels in multifunctional applications.

Heterojunction Engineering of Multinary Metal Sulfide-Based Photocatalysts for Efficient Photocatalytic Hydrogen Evolution.

Photocatalytic hydrogen evolution (PHE) via water splitting using semiconductor photocatalysts is an effective path to solve the current energy crisis and environmental pollution. Heterojunction photocatalysts, containing two or more semiconductors, exhibit better PHE rates than those with only one semiconductor owing to the altered band alignment at the interface and stronger driving force for charge separation. Traditional binary metal sulfide (BMS)-based heterojunction photocatalysts, such as CdS, MoS2 , and PbS, demonstrate excellent PHE performance. However, the recently developed multinary metal sulfide (MMS)-based photocatalysts possess favorable chemical stability, tunable band structure, and flexible element compositions, and have considerable potential to realize higher PHE rates than those of BMSs. In this review article, the mechanism of PHE is first elucidated and then various single and heterojunction MMS-based photocatalysts and their charge transfer behaviors and PHE performances are systematically summarized. A perspective on potential future research directions in this field is concluded.

Robust binary metal sulphide photocatalyst from design, characterization to photocatalytic application for the efficient degradation of Erichrome black tea

Among different types of organic wastes originating from the industrial sector, dyes constitute a major part due to their massive deployment and subsequent elimination. Erichrome Black T (EBT) dye is one of those days, which is incredibly detrimental to sentient (living) creatures due to its significant adverse health properties. Herein, we have focused on the photocatalytic degradation as an efficient process for EBT degradation by employing clean, renewable sources of energy (sunlight irradiations). In this regard, a novel photocatalyst was designed using binary metal sulfide nanoparticles. The solvothermal technique was used to effectively produce iron zinc sulfide nanoparticles (Fe2Zn3S5-NPs). The morphology of the obtained photocatalyst was confirmed by SEM findings, the Fe2Zn3S5-NPs were in the solid powdered form and had a shiny appearance. The average particle size was found to be 61.4 nm. Iron and zinc had noticeable peaks in the EDX spectrum, which corroborated the assertion that the nanoparticles had been fabricated. FTIR spectrum displayed the synthesis of Fe2Zn3S5-NPs functional groups. XRD analysis verified the hexagonal and crystalline structure of zinc and iron nanoparticles with an average crystallite size of 17.84 nm. The bandgap of Fe2Zn3S5-NPs was 1.9 eV using Tauc’s plot and Tauc’s equation. The Fe2Zn3S5-NPs exhibited a superior photocatalytic degradation rate of up to 98.01% for 50 ppm EBT concentration at a catalyst dosage of 0.1 g, pH 3, and for 1 h of solar light irradiation contact. EBT dye photodegraded in the presence of Fe2Zn3S5-NPs following the pseudo-first-order kinetics, and the Fe2Zn3S5-NPs efficiently degraded EBT dye over the course of four cycles, without a noticeable loss in its efficiency. The current study intends to design a novel binary metal sulfide nanoparticles for the efficient and complete removal of dyes from industrial effluents.

Innovating the future: Synergistic integration of binary metal sulfides and carbon nanotubes for flexible supercapacitors and hydrogen evolution

Flexible energy storage technologies play a crucial role in powering portable and wearable technologies for monitoring physical indicators in various biomedical applications. Composite nanomaterials based on two-dimensional materials are currently employed to enhance the efficiency of flexible energy storage systems. In this study, a hybrid nanocomposite, CNT/ZnS-NbS2, is synthesized through a hydrothermal process. The CNT/ZnS-NbS2 exhibits an outstanding 1107C/g capacity in a three-cell configuration. The CNT/ZnS-NbS2 nanocomposite is used to construct flexible supercapacitor (FSC) electrodes. When evaluated in a full-cell architecture with activated carbon, CNT/ZnS-NbS2 produce an energy density equal to 53 Wh/kg. The CNT/ZnS-NbS2 electrode also demonstrated an overpotential of 221 mV in HER applications. These results illustrate the potential of the flexible energy storage system to be coupled with hydrogen evolution reaction.

Hierarchical porous nickel tin sulfide nanosheets as a binder free electrode for hybrid supercapacitor

The utilization of free-standing sulfide-based hybrid nanostructures plays a paramount role in supplying the steadily increasing demand for energy storage devices. Herein, this report presents the growth of outstanding binder-free Ni-Sn sulfide thin films for high-performance supercapacitors via the revised successive ionic layer adsorption and reaction (r-SILAR) method. Molar concentration ratios between Ni/Sn have been studied, and the optimum designed mesoporous Nix-Sn1.0xS/Ni foam (NF), a single cathode electrode material, successfully achieved outstanding specific capacitance of 2890 F/g at 5 A/g, capacitance retention of 85 %, and coulombic efficiency of 100 % after 10,000 cycles. Moreover, the constructed Nix-Sn1.0xS/NF//activated carbon (AC) hybrid supercapacitor device delivers an ultrahigh power density of 53.469 KW/Kg and capacitance retention of 95 % with robust long-term cycling stability up to1000 cycles. The superior electrochemical performance of the prepared Nix-Sn1.0xS electrode could be attributed to: (i) the synergistic effect of the two binary metal sulfides (Ni/Sn) into reversible faradaic redox reaction; (ii) the growing mechanism of the ultra-thin film (1.2 nm) as a binder-free electrode, enhance the ions insertion/extraction, and (iii) the formation of hierarchically flower-like architecture with uniform mesopores provides a high surface area (62.2 m2/g) and intensifies active sites for faradaic redox reactions. These encouraging results present a novel avenue for constructing advanced free-standing electrode materials for high-performance supercapacitors.

Highly sensitive CO gas sensor based on ternary metal sulfides PbSbS quantum dots: Experimental and DFT study

Quantum dots (QDs) thin films based on binary metal sulfides (PbS) and ternary metal sulfides (PbSbS) were fabricated utilizing the Successive Ionic Layer Adsorption and Reaction (SILAR) method. Using the Tauc plot, 2.32 eV and 3.22 eV optical bandgaps were calculated for TiO2/Pb5Sb8S17 (TiO2/PbSbS) and TiO2/PbS, respectively. The sensing performance of TiO2/PbSbS and TiO2/PbS QDs has been investigated for the detection of carbon monoxide (CO) gas at room temperature (300 K). At 25 ppm, ∼2.5 times higher CO gas response was measured for TiO2/PbSbS (0.63) than for TiO2/PbS (0.2469) QDs with response/recovery time (tres./ trec) 14.8/10.21 s. Furthermore, TiO2/PbSbS QDs showed a good response of 0.247 with tres./ trec 20 /9 s at 5 ppm. These results provide a simple and highly scalable approach to developing high-performance gas sensors. To understand the gas sensing phenomena of TiO2/PbSbS and TiO2/PbS, a theoretical model has been developed. The simulation results revealed a significant difference in the behavior of TiO2/PbSbS and TiO2/PbS before and after CO interaction. Which have a high level of agreement with experimental results.