Colloids and Surfaces A: Physicochemical and Engineering Aspects最新文献

{"title":"Polarization modulated engineering via W doping in Bi3TiNbO9 nanosheets for enhancing synergistic piezo-photocatalytic CO2 reduction","authors":"Hongjian Yu ,&nbsp;Min Wang ,&nbsp;Yihan Jiao ,&nbsp;Yanxi Wu ,&nbsp;Rufang Zhao ,&nbsp;Fan Guo ,&nbsp;Xiuqin Zhan ,&nbsp;Jie Han","doi":"10.1016/j.colsurfa.2025.137304","DOIUrl":"10.1016/j.colsurfa.2025.137304","url":null,"abstract":"<div><div>Facing the dual challenges of global energy scarcity and environmental pollution, the solar-driven conversion of CO₂ into renewable fuels stands out as a promising solution. However, the inefficient charge separation and sluggish surface reaction kinetics in photocatalytic processes have significantly impeded its practical application and further development. Herein, a series of W-doped Bi₃TiNbO₉ nanosheets were synthesized via a one-pot hydrothermal method. The substitution of Ti⁴⁺ in the perovskite-like layer (BiTiNbO₇)^2- with W⁶⁺ induces lattice distortion in Bi₃TiNbO₉, enhancing the macroscopic polarization of the material and promoting the separation and migration of photogenerated charge carriers. Furthermore, the strong built-in electric field generated by applied mechanical stress can further suppress electron-hole recombination, significantly improving the photocatalytic activity of the Bi₃TiNbO₉. The optimized W-doped Bi₃TiNbO₉ nanosheets (5 % W doping) exhibit a CO generation rate of 36.67 μmol∙g⁻¹∙h⁻¹ after corona poling treatment, which is 3.88 times higher than that of pristine Bi₃TiNbO₉, achieved without the addition of any co-catalyst or sacrificial agent. Combined with systematic experimental and characterization analyses, the photocatalytic reduction performance of CO₂ was significantly enhanced through macroscopic polarization modulation via lattice distortion. This study introduces an innovative approach for the design of highly efficient piezoelectric-assisted photocatalytic materials, thereby accelerating the integration of mechanical and solar energy for applications in environmental remediation and energy conversion.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"723 ","pages":"Article 137304"},"PeriodicalIF":4.9,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144170759","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Self-healing poly(lactic acid) film incorporated with phytic acid on dicalcium phosphate dihydrate-coated magnesium for corrosion protection in orthopedic applications","authors":"Ban Chen ,&nbsp;Xiaodong Xue ,&nbsp;Ying Guo ,&nbsp;Feng Peng ,&nbsp;Jiao Li ,&nbsp;Yue Zhu ,&nbsp;Ye Zhou ,&nbsp;Donghui Wang ,&nbsp;Chunyong Liang ,&nbsp;Zugui Wu","doi":"10.1016/j.colsurfa.2025.137301","DOIUrl":"10.1016/j.colsurfa.2025.137301","url":null,"abstract":"<div><div>Magnesium is considered a promising orthopedic implant material due to its excellent biocompatibility and biodegradability. However, its rapid degradation and the associated corrosive byproducts can trigger inflammatory responses, limiting clinical application. To address this issue, a self-healing Mg-based composite coating was developed, consisting of an inner layer of dicalcium phosphate dihydrate (DCPD), a middle layer of polylactic acid (PLA) containing the corrosion inhibitor phytic acid (PA), and an outer PLA layer. The dissolution of the DCPD layer releases Ca²⁺ and PO₄³⁻ ions, which react with Mg²⁺ to form a stable calcium-phosphate (Ca-P) precipitate. Simultaneously, PA molecules released from halloysite nanotubes (HNT) in the middle layer chelate with Mg²⁺ to form magnesium phytate, enhancing corrosion resistance through a synergistic mechanism. Scratch tests demonstrated that the coating effectively inhibited corrosion propagation after 8 h of immersion in 0.9 wt% NaCl solution. During immersion, the current density initially increased from 1.460 × 10^-⁸ A·cm⁻² to 8.374 × 10⁻⁷ A·cm⁻², followed by a slight decrease to 6.338 × 10⁻⁷ A·cm⁻², indicating a self-healing response. <em>In vitro</em> experiments with MC3T3-E1 cells confirmed good biocompatibility of the coated Mg. Furthermore, in a rat femoral implantation model, the coated Mg exhibited improved <em>in vivo</em> corrosion resistance and enhanced new bone formation, with elevated expression of osteocalcin (OCN) and osteopontin (OPN) around the implant.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"722 ","pages":"Article 137301"},"PeriodicalIF":4.9,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic interfacial adsorption behavior between amino acid surfactant and sodium dodecyl benzene sulfonate","authors":"Hairong Wu ,&nbsp;Tianfang Luan ,&nbsp;Jinlong Li ,&nbsp;Kunpeng Hou ,&nbsp;Jiachang Zhu ,&nbsp;Wenhao Shao ,&nbsp;Zhaojie Song ,&nbsp;Jirui Hou","doi":"10.1016/j.colsurfa.2025.137309","DOIUrl":"10.1016/j.colsurfa.2025.137309","url":null,"abstract":"<div><div>Zwitterionic/anionic surfactant system is usually employed in the field of enhancing oil recovery attributing to its high interfacial properties and low adsorption capacity. In this work, an amino acid surfactant triethyltetramine sodium lauryl glutamate (TFDA) with the isoelectric point around 5 was synthesized. The synergistic interfacial adsorption behavior between TFDA and sodium dodecyl benzene sulfonate (SDBS) was investigated. The TFDA/SDBS binary system displayed ultra-low interfacial tension (IFT), high emulsification capability, emulsion pH-response behavior, high stability in rock wettability alternation and low adsorption capacity on solid. By calculating interaction parameters, analysing work of adhesion and fitting with Langmuir adsorption model, the synergistic interfacial adsorption behavior of binary system at oil-water, oil-hosting solid and water-solid interfaces were deeply discussed. The results indicated that TFDA and SDBS molecules formed tightly adsorption layer on oil-water interface, which lead to the rapid decrease in IFT. Meanwhile, the ultra-low IFT and strong interaction of TFDA/SDBS binary system reduced the work of adhesion for oil- solid interface, thus the binary system can easily mobilize the oil film from the solid surface. When the solid surface is exposed in the TFDA/SDBS solution, TFDA and SDBS molecules can remain the molar ratio around 1:1 and maintain better interfacial interaction in oil-water interface during the surfactants adsorbing in the solid due to the lower adsorption capacity of TFDA and SDBS. Furthermore, stability of the emulsion stabilized by binary system could be adjusted by varying the pH values. These findings would provide a potential strategy for designing amino acid/anionic surfactant binary systems.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"722 ","pages":"Article 137309"},"PeriodicalIF":4.9,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Squaraine-containing hydrogels: Synthesis, drug delivery and dual phototherapies","authors":"Rumeysa Sarıgöl ,&nbsp;Melek Pamuk Algi","doi":"10.1016/j.colsurfa.2025.137290","DOIUrl":"10.1016/j.colsurfa.2025.137290","url":null,"abstract":"<div><div>To create a multipurpose therapeutic platform, Sq@poly(HEMA-co-AA) hydrogels are made of 2-hydroxyethyl methacrylate (HEMA) and acrylic acid (AA) monomers. The SK-MEL-30 skin cancer cell line was used to test the hydrogels' therapeutic effectiveness. The Sq@poly(HEMA-co-AA) hydrogels demonstrated photodynamic therapy by producing reactive oxygen species under red light and photothermal therapy by producing hyperthermia under near-infrared light. The outcomes showed the anti-cancer potential of the hydrogels against skin cancer. Furthermore, the hydrogels did not cause toxicity in the absence of light, according to biocompatibility tests conducted on the L929 cell line. Rhodamine B was efficiently released in a light-responsive manner, following exposure to a laser at 808 nm, demonstrating the hydrogels' capability for light-triggered drug delivery. These results demonstrate the intriguing potential of Sq@poly(HEMA-co-AA) hydrogels as a flexible material for controlled release of drugs and phototherapeutic applications, especially in the treatment of skin cancer.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"722 ","pages":"Article 137290"},"PeriodicalIF":4.9,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144134493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The construction of C-coated MoSx-SnS composites and application to highly efficient and durable lithium storage","authors":"Shang Jiang,&nbsp;Ruxia Zhang,&nbsp;Mingjun Pang,&nbsp;Wanqi Zhou,&nbsp;Zhiyu Wu,&nbsp;Yulin Jiao,&nbsp;Jianguo Zhao","doi":"10.1016/j.colsurfa.2025.137303","DOIUrl":"10.1016/j.colsurfa.2025.137303","url":null,"abstract":"<div><div>An innovative electrode material, the carbon-coated amorphous MoSₓ/crystalline SnS heterogeneous composite (C-MSnS-X), was synthesized via a coupled hydrothermal synthesis and high-temperature calcination process. By precisely modulating the molar ratio of Mo and Sn precursors, it was determined that the composition with a Mo:Sn ratio of 1:3 (C-MSnS-3) exhibited the most favorable overall electrochemical performance. Electrochemical kinetic analysis revealed that the C-MSnS-3 material demonstrated a high lithium-ion diffusion coefficient in the range of 10⁻⁶ to 10⁻⁹ cm² s⁻¹ and a low charge transfer impedance (27.8 Ω after cycling), indicating excellent ion transport kinetics and interfacial reactivity. When employed as an anode in lithium-ion batteries, the synergistic effect of the heterostructure enabled the electrochemical performance of C-MSnS-3 to significantly exceed that of the single-component C-MS and C-SnS materials. A reversible specific capacity of 956.7 mA h g⁻¹ at 50 mA g⁻¹ was reported, along with a capacity retention rate of 94.4 % after 1600 cycles at a high current density of 2 A g⁻¹ , thereby demonstrating outstanding cycling stability. This study presents a novel strategy for the structural design and performance enhancement of sulfide composite anode materials, thereby establishing an important reference for the development of high-energy-density lithium-ion battery systems.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"722 ","pages":"Article 137303"},"PeriodicalIF":4.9,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144148014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design and fabrication of superhydrophobic micro-nano structures on the surface of spray tank for pesticide with robust mechanical-chemical properties","authors":"Yufeng Mu ,&nbsp;Mengmeng Li ,&nbsp;Wenjuan Li ,&nbsp;Zuoli Fu ,&nbsp;Yuxiang Huang ,&nbsp;Qinghua Yang ,&nbsp;Baili Feng ,&nbsp;Tong Chen ,&nbsp;Jiang Li","doi":"10.1016/j.colsurfa.2025.137300","DOIUrl":"10.1016/j.colsurfa.2025.137300","url":null,"abstract":"<div><div>The application of drones in the field of plant protection is becoming increasingly widespread. However, the pesticide residues sticking on the surface of spray tanks for pesticides in agriculture cause serious pollutions and increase cleaning costs. This study presents the fabrication of superhydrophobic surfaces on polypropylene (material for the spray tank) by first employing nanosecond laser texturing and then spraying of nanoparticles. The fabricated surface exhibited a high water contact angle of ∼ 159° and a roll-off angle of ∼ 2°, indicating low surface adhesion. Furthermore, droplets released from a height of 60 mm rebounded to a height of 4.94 mm, demonstrating superior droplet mobility. In addition, the surface exhibited robust mechanical-chemical properties, retaining a contact angle of 151.3 ± 0.5° after extensive mechanical abrasion and exposure to acids, alkalis, and salts. Moreover, the surface showed outstanding self-cleaning performance, effectively removing contaminants such as quartz sand, soil particles, and pesticide residues. Significantly, in pesticide residue tests, no detectable pesticide accumulation was observed on the textured surface, effectively demonstrating its ability to prevent pesticide retention. This study aims to provide an environmentally friendly solution to reduce pesticide residues in the spray tanks of plant protection drones, thereby enhancing their efficiency and sustainability while advancing precision agriculture and promoting sustainable farming practices.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"722 ","pages":"Article 137300"},"PeriodicalIF":4.9,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144170738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimizing gold nanoparticles for thin film formation: insights into synthesis and surface functionalization with APTES","authors":"Bassam Bachour Junior ,&nbsp;Marina Ribeiro Batistuti Sawazaki ,&nbsp;Éder José Guidelli ,&nbsp;Marcelo Mulato","doi":"10.1016/j.colsurfa.2025.137180","DOIUrl":"10.1016/j.colsurfa.2025.137180","url":null,"abstract":"<div><div>This study explores the synthesis of gold nanoparticles (AuNPs) using two different methods and the subsequent use of 3-aminopropyltriethoxysilane (APTES) aiming the formation of thin films on FTO glass substrates. AuNPs synthesized using citrate displayed a larger average diameter (14.9 ± 0.1 nm) and higher polydispersity compared to those synthesized with sodium borohydride and PVA (5.3 ± 0.1 nm). UV-Vis spectroscopy, TEM, DLS, and zeta potential analyses confirmed that nanoparticles synthesized with sodium borohydride and PVA were more stable and uniform, demonstrating the efficacy of PVA as a stabilizing agent. The formation of AuNP thin films was optimized by functionalizing the FTO surface with APTES. Electrochemical impedance spectroscopy (EIS) indicated that 1 % and 120 min for immersion time in APTES significantly enhanced the adhesion and uniformity of the films. The methodology employing sodium borohydride and PVA in a hydroxylation surface proved to be more efficient to produce stable thin films, showing larger impedance reduction and better long-term stability. These observations indicate that the method under investigation may offer a promising avenue for biosensors and optoelectronic devices, given its cost-effectiveness and straightforward implementation.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"722 ","pages":"Article 137180"},"PeriodicalIF":4.9,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144134492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The structure-property relationship of cationic collectors: Effects of methyl and hydroxyl in polar head groups","authors":"Panxing Zhao ,&nbsp;Wengang Liu ,&nbsp;Wenbao Liu ,&nbsp;Yanbai Shen ,&nbsp;Ying Guo ,&nbsp;Yahui Zhang ,&nbsp;Stephen Butt","doi":"10.1016/j.colsurfa.2025.137293","DOIUrl":"10.1016/j.colsurfa.2025.137293","url":null,"abstract":"<div><div>The structure of the flotation collectors determines their hydrophobicity and adsorption behavior on mineral surface. In this study, the flotation performances of four cationic collectors with different polar head groups, i.e., dodecylpropanolamine (NDPA), N-dodecyl-isopropanolamine (DMPA), N-(2-hydroxy-1,1-dimethylethyl) dodecylamine (DMEA), and N-(2,3-propanediol)-N-dodecylamine (DPDA), were compared in hematite reverse flotation for quartz removal. The micro-flotation tests showed that the four collectors had excellent collecting capacity for quartz, while their flotation performance on hematite varied considerably. The differences in flotation performance caused by the collector molecular structure were investigated using Fourier transform infrared spectroscopy (FTIR), adsorption amount measurements, surface tension measurements, and molecular simulations. From the perspective of adsorption mechanisms, the numbers of introduced methyl and hydroxyl in the polar head groups of the collectors did not change the adsorption mechanism on the mineral surface, but affected the surface activities of the collector molecules. Molecular simulations indicated that the larger polar head groups of the collectors, the greater the steric hindrance between the collector molecules, which could prevent other molecules from adsorbing onto the mineral surface once the collector was adsorbed. The increase in the number of hydroxyl groups would enhance hydrogen bonding, which would also strengthen the collector adsorption. This study could help deepen the understanding of the relationship between molecular structure and properties of cationic collectors and provide guidance for the design of new cationic collectors.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"722 ","pages":"Article 137293"},"PeriodicalIF":4.9,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Triphenylamine-linked triazine (D-A) units based hypercrosslinked porous polymer: Rapid adsorption and enhanced photodegradation of organic dyes from water","authors":"Mohsin Ejaz ,&nbsp;Mohamed Gamal Mohamed ,&nbsp;Mohammed G. Kotp ,&nbsp;Ahmed M. Elewa ,&nbsp;Shiao-Wei Kuo","doi":"10.1016/j.colsurfa.2025.137239","DOIUrl":"10.1016/j.colsurfa.2025.137239","url":null,"abstract":"<div><div>Pigments and dyes are prevalent water contaminants, necessitating effective treatment methods. Hypercrosslinked porous polymers (HPPs), known for their high surface area and abundant micropores, effectively adsorb dye molecules and facilitate their degradation under light, making them a highly attractive solution. Herein, we synthesized donor-acceptor (DA) based TPA-TAZ HPP through Friedel−Crafts polymerization of triphenylamine as a donor and 2,4,6-trichloro-1,3,5-triazine (TCT) as an acceptor for adsorption and photo-degradation of Rhodamine B (RhB) and methylene blue (MB). The resulting TPA-TAZ HPP exhibits an impressive surface area of 1823 m² g^–1, significant thermal stabilities (<em>T</em>_d5: 663 °C, <em>T</em>_d10: 674 °C, char yield: 75 wt%), and a small band gap of up to 2.04 eV. The porous framework, abundant adsorption sites, and electronegative characteristics of TPA-TAZ HPP enable it to achieve outstanding adsorption performance. It demonstrated removal efficiencies of nearly 99 % for both RhB and MB within 5 minutes, with remarkable adsorption capacities of up to 951 mg g^–1 for RhB and 858 mg g^–1 for MB at ambient temperature. Additionally, TPA-TAZ HPP exhibited exceptional photocatalytic degradation efficiencies, achieving up to 88 % for RhB and 96 % for MB, with reaction rate constants of 5.78 × 10 ^–2 min^–1 and 9.62 × 10^–2 min^–1, respectively. The superior performance of TPA-TAZ HPP can be attributed to its high surface area, small band gap, and donor-acceptor framework, which collectively facilitate efficient charge transfer, thereby enhancing both adsorption and photocatalytic degradation. Our findings suggest that this research could guide the effective design of donor–acceptor-based HPPs as promising photocatalysts for a wide range of photocatalytic applications.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"722 ","pages":"Article 137239"},"PeriodicalIF":4.9,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138196","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Gas sensitivity study of early diagnostic markers for lung cancer using MoTe2 single molecular membranes doped with different TM atoms: Based on density functional theory","authors":"Yujie Chen ,&nbsp;Wenhao Jiang ,&nbsp;Yiyi Zhang ,&nbsp;Dachang Chen ,&nbsp;Min Xu ,&nbsp;Jiefeng Liu ,&nbsp;Pengfei Jia","doi":"10.1016/j.colsurfa.2025.137289","DOIUrl":"10.1016/j.colsurfa.2025.137289","url":null,"abstract":"<div><div>Lung cancer has become one of the deadliest and most prevalent cancers worldwide, and the use of gas sensors to detect volatile organic compounds (VOCs) in the exhaled breath of lung cancer patients is gaining increasing popularity. Compared with traditional medical diagnostic methods, this method is cost-effective and less invasive. During our experiments, we employ density functional theory to explore how transition metal (Cu, Pd, Pt)-doped MoTe₂ single-molecule membranes respond to VOCs commonly found in the exhalation gas of patients with lung cancer in the early stages of the disease. All three modified systems exhibited excellent thermal stability, and the sorption of VOCs is significantly enhanced compared to the pristine MoTe₂, ensuring effective desorption and sensing performance at elevated temperatures. Moreover, the changes in the band gap before and after adsorption are notably distinct, indicating strong gas sensitivity. Among the doped structures, MoTe₂-Cu shows the highest adsorption capacity for C₅H₈, C₃H₆O, and C₃H₈O, accompanied by the largest change in the band gap. Due to the varying sensitivities of the three lung cancer biomarker sensors to different gases, cross-sensitivity can be minimised, highlighting the potential for qualitative analysis of VOC gas mixtures. This offers new insights and methods for the early detection and prevention of lung cancer.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"722 ","pages":"Article 137289"},"PeriodicalIF":4.9,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144123286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}