Abdelhak Chouiekh , Mohammed Lazrak , Nour El Hoda Bouftila , Rachid Zigdi , Abdellah Tahiri , Mohamed Naji
{"title":"Pressure effect on structural, electronic, and mechanical properties of Na3OX (X = Cl, Br, I) solid electrolytes: DFT study","authors":"Abdelhak Chouiekh , Mohammed Lazrak , Nour El Hoda Bouftila , Rachid Zigdi , Abdellah Tahiri , Mohamed Naji","doi":"10.1016/j.inoche.2025.114769","DOIUrl":"10.1016/j.inoche.2025.114769","url":null,"abstract":"<div><div>The next generation of batteries is expected to use solid electrolytes due to their excellent energy density, safety and stability characteristics. Sodium anti-perovskites are a family of ionic conductors, offering advantages such as high mechanical flexibility and high ionic conductivity. Here, we have used the density functional theory to investigate the structural, electronic, and mechanical properties of solid electrolytes Na<sub>3</sub>OX (X = Cl, Br, I) anti-perovskite under static pressure from 0 to 8 GPa. The results show that Na<sub>3</sub>OCl, Na<sub>3</sub>OBr and Na<sub>3</sub>OI have a direct band gap of 2.339, 1.892 and 2.033 eV, respectively, which increases with pressure, and the Na<sub>3</sub>OCl compound exhibiting the lowest energy of formation (E<sub>f</sub> = −1.458 eV at 0 GPa), indicating that it is thermodynamically the most stable. The incorporation of a halogen with a larger radius result in an increase in the lattice parameter <em>a</em>. In addition, according to mechanical property calculations, anti-perovskite materials are mechanically stable and become harder, more ductile and more anisotropic as pressure increases. Furthermore, Na<sub>3</sub>OCl exhibits greater resistance to plastic deformation.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114769"},"PeriodicalIF":4.4,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Li-Na Zheng , Yun-Zhuo Sun , Shuai Liu , Wen-Ya Li , Ning Xue , Tao Ding
{"title":"Synthesis of three new complexes based on the regulation of different transition metals Zn/Cd/Cu with nitrogen-containing carboxylic acid ligand and the fluorescence detection of Fe(III)/Cr(VI) ions","authors":"Li-Na Zheng , Yun-Zhuo Sun , Shuai Liu , Wen-Ya Li , Ning Xue , Tao Ding","doi":"10.1016/j.inoche.2025.114765","DOIUrl":"10.1016/j.inoche.2025.114765","url":null,"abstract":"<div><div>Through hydrothermal/solvothermal reactions, three Complexes with new structures were successfully synthesized using 1-(4-carboxyphenyl)-3-(pyrazinyl)-H-1,2,4-triazole (HL) as the organic ligand mixed with specific solvents. These include two zero-dimensional (0D) Complexes ([Cd<sub>2</sub>(L)<sub>4</sub>(H<sub>2</sub>O)<sub>6</sub>]·11H<sub>2</sub>O, Cd-CP) and [ZnL<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>], as well as a two-dimensional (2D) Complex ([Cu<sub>3</sub>(L)<sub>2</sub>(CN)]<em><sub>n</sub></em>·2nH<sub>2</sub>O, Cu-CP). X-ray single-crystal diffraction analysis, infrared spectroscopy, and thermogravimetric analysis demonstrated that Cd-CP, Zn-CP, and Cu-CP all exhibit stable framework structures and excellent thermal stability. Moreover, the Cd-CP sensor achieves rapid (<5 min) multiplex detection of Fe<sup>3+</sup>/CrO<sub>4</sub><sup>2−</sup>/Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup> in water, leveraging synergistic weak interaction-guided recognition, resonance energy transfer (RET), inner filter effect (IFE) and CA-driven ion discrimination. When the concentrations of Fe<sup>3+</sup>, CrO<sub>4</sub><sup>2−</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup> reached 200 μL, 600 μL and 280 μL respectively, the fluorescence intensity of Cd-CP was completely quenched. The detection limits of the three ions were 5.83 × 10<sup>−4</sup> M (Fe<sup>3+</sup>), 6.92 × 10<sup>−4</sup> M (CrO<sub>4</sub><sup>2−</sup>) and 6.56 × 10<sup>−4</sup> M (Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup>) respectively, and <em>K<sub>sv</sub></em> values of 8.13 × 10<sup>3</sup> M<sup>−1</sup> (Fe<sup>3+</sup>), 2.55 × 10<sup>3</sup> M<sup>−1</sup> (CrO<sub>4</sub><sup>2−</sup>) and 5.58 × 10<sup>3</sup> M<sup>−1</sup> (Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup>), respectively. The sensor maintained exceptional ion-discrimination accuracy with persistent signal stability against competing ionic species in aqueous media, demonstrating dual resistance to both cationic and anionic interference. Additionally, cycling experiments indicated that the complexes can be reused in the sensing assays.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114765"},"PeriodicalIF":4.4,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tianfu Wang , Nan Li , Minghui Chu, Zhuoxi Li, Yingying Liu, Yichun Cai, Xiaoming Yu, Yi Zhan, Tongwen Yu
{"title":"N-doped zeolite-templated carbons confinement of Pt nanoparticles as low-loading oxygen reduction reaction electrocatalysts","authors":"Tianfu Wang , Nan Li , Minghui Chu, Zhuoxi Li, Yingying Liu, Yichun Cai, Xiaoming Yu, Yi Zhan, Tongwen Yu","doi":"10.1016/j.inoche.2025.114757","DOIUrl":"10.1016/j.inoche.2025.114757","url":null,"abstract":"<div><div>Nitrogen-doped carbon confined low-loading noble metal electrocatalysts with excellent performance of oxygen reduction reaction (ORR) has attracted great interests. Herein, we report the synthesis of nitrogen-doped zeolite-templated carbon-confined Pt nanoparticles with low-loading toward ORR. The zeolite templates, such as P, A, and Y type, were systematically adjusted to optimize the microstructure of electrocatalysts. Furthermore, the nitrogen-doping sources, including the urea and NH<sub>3</sub> were also investigated. The optimized electrocatalyst with Pt loading of only 0.97 % exhibited a half-wave potential of 0.855 V and an excellent stability with 42 mV degradation after 20,000 cycles. This work offers an efficient N-doping and low Pt loading strategy for the zeolite-templated carbon confinement-based low-cost ORR electrocatalysts.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114757"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Adriano Losekann Mota Nunes , Leandro Rodrigues Oviedo , Maurício Dalla Costa Rodrigues da Silva , Cristiane dos Santos , Giovani Pavoski , Denise Crocce Romano Espinosa , William Leonardo da Silva
{"title":"Machine learning-guided photocatalytic degradation of Eriochrome Black T using green Nb2O5-NPs@CeO2-NPs","authors":"Adriano Losekann Mota Nunes , Leandro Rodrigues Oviedo , Maurício Dalla Costa Rodrigues da Silva , Cristiane dos Santos , Giovani Pavoski , Denise Crocce Romano Espinosa , William Leonardo da Silva","doi":"10.1016/j.inoche.2025.114779","DOIUrl":"10.1016/j.inoche.2025.114779","url":null,"abstract":"<div><div>This study aims to synthesize a green niobium-based catalyst doped with cerium oxide nanoparticles (Nb<sub>2</sub>O<sub>5</sub>-NPs@CeO<sub>2</sub>-NPs) for Eriochrome Black T (EBT) dye degradation under visible radiation and to propose a degradation reaction pathway by machine learning. Nb<sub>2</sub>O<sub>5</sub>-NPs@CeO<sub>2</sub>-NPs were characterized by X-Ray diffraction analysis (XRD), zero-charge point (pH<sub>ZCP</sub>)<sub>,</sub> Field Emission Gun Scanning Electron Microscopy (FEG-SEM) coupled with Energy Dispersive Spectroscopy (EDS), Diffuse reflectance spectroscopy (DRS), N<sub>2</sub> porosimetry and zeta potential (ZP). The algorithms Decision tree (DT), Random Forest (RF), and Extreme Gradient Boosting (XGBoost) were used to identify the main degradation products of EBT degradation. The incorporation of CeO<sub>2</sub>-NPs onto the Nb<sub>2</sub>O<sub>5</sub>-NPs reduced the band gap from 2.89 to 2.44 eV, resulting in a stable nanocatalyst (ZP = −22.7 mV). Similarly, S<sub>BET</sub> increased from 19 to 102 m<sup>2</sup> g<sup>−1</sup>, and D<sub>p</sub> from 8.5 to 9.25 nm. However, V<sub>p</sub> reduced from 0.04 to 0.2 cm<sup>3</sup> g<sup>−1</sup>. Nb<sub>2</sub>O<sub>5</sub>-NPs@CeO<sub>2</sub>-NPs showed pH<sub>ZCP</sub> 6.54, which justifies the higher EBT degradation in the photocatalytic assay (pH 5), probably due to higher electrostatic interactions. Moreover, 68 % EBT degradation (<em>k</em> = 0.0101 min<sup>−1</sup>) was achieved after 120 min, with good photocatalytic activity up to 3 cycles. O<sub>2</sub><sup>–<img></sup> and h<sup>+</sup> showed a key role in the EBT degradation reaction. RF algorithm showed the best performance among the ML algorithms (R<sup>2</sup><sub>training</sub> = 0.9539 and R<sup>2</sup><sub>test</sub> = 0.8364) and lower RMSE (RMSE<sub>training</sub> = 25.46 and RMSE<sub>test</sub> = 49.24). Therefore, the nanocatalyst is promising catalytic activity and machine learning is a useful tool for photocatalytic applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114779"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Guolong Lu , Doudou Qin , Yanhong Feng , Caiyun Wang , Shiming Qiu , Xijun Liu
{"title":"Cross-linked carbon tube-MnO2 composite enables high-performance Zn ion batteries","authors":"Guolong Lu , Doudou Qin , Yanhong Feng , Caiyun Wang , Shiming Qiu , Xijun Liu","doi":"10.1016/j.inoche.2025.114784","DOIUrl":"10.1016/j.inoche.2025.114784","url":null,"abstract":"<div><div>Aqueous zinc-ion batteries (ZIBs) have emerged as promising energy storage devices due to their high safety, abundant, and environmental friendliness. However, the development of high-performance cathode materials remains a significant challenge. In this work, we report an accessible manganese (II) oxide coated carbon nanotube (MnO<sub>2</sub>/CNT) composite prepared via a facile ball milling method, which significantly enhances the electrochemical performance of ZIBs. The optimal MnO<sub>2</sub>/CNT composite exhibits a high specific capacity of 388.5 mAh g<sup>−1</sup> at 0.1 A g<sup>−1</sup>, and long-term cycling stability with 67.51 % capacity retention at 1 A g<sup>−1</sup> after 500 cycles. The improved performance is attributed to the enhanced electrical conductivity, optimized Zn<sup>2+</sup> diffusion kinetics, and stable structural integrity of the MnO<sub>2</sub>/CNT composite. This study provides a simple and scalable approach to designing high-performance cathode materials for next-generation ZIBs.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114784"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Enhanced photoelectrocatalytic degradation of tetracycline by g-C3N4-TiO2/Ti3C2 Mxene composite modified TiO2 nanostructures photoelectrode","authors":"Samira Yousefzadeh , Omid Mokhatab , Monireh Faraji","doi":"10.1016/j.inoche.2025.114785","DOIUrl":"10.1016/j.inoche.2025.114785","url":null,"abstract":"<div><div>Herein, TiO<sub>2</sub> nanograsses on nanotubes array (TGTA) electrode was modified by g-C<sub>3</sub>N<sub>4</sub>-TiO<sub>2</sub>/Ti<sub>3</sub>C<sub>2</sub> composite and TGTA/g-C<sub>3</sub>N<sub>4</sub>-TiO<sub>2</sub>/Ti<sub>3</sub>C<sub>2</sub> photoelectrode was investigated in the photoelectrocatalytic degradation of tetracycline. g-C<sub>3</sub>N<sub>4</sub>-TiO<sub>2</sub>/Ti<sub>3</sub>C<sub>2</sub> composite displayed better visible light absorption and charge separation compared to the g-C<sub>3</sub>N<sub>4</sub>. Based on these properties, the TGTA/g-C<sub>3</sub>N<sub>4</sub>-TiO<sub>2</sub>/Ti<sub>3</sub>C<sub>2</sub> photoelectrode indicated significantly the highest light absorption, resulting degradation efficiency of 76.14 % within 105 min. Rate constant of the TGTA/g-C<sub>3</sub>N<sub>4</sub>-TiO<sub>2</sub>/Ti<sub>3</sub>C<sub>2</sub> was evaluated at about 13.64 × 10<sup>−3</sup> min<sup>−1</sup>, which is approximately 7 and 3 times greater than that of the TGTA and TGTA/g-C<sub>3</sub>N<sub>4</sub> photoelectrodes, respectively. Moreover, optimal applied potential of 1.5 V and the tetracycline concentration of 10 mg/L were determined for the TGTA/g-C<sub>3</sub>N<sub>4</sub>-TiO<sub>2</sub>/Ti<sub>3</sub>C<sub>2</sub> photoelectrode with significant stability after 5 cycles. According to the results, the g-C<sub>3</sub>N<sub>4</sub>-TiO<sub>2</sub>/Ti<sub>3</sub>C<sub>2</sub> composite on the TGTA electrode enhanced the light absorption, charge separation and transfer, introducing a promising photoelectrode for photoelectrocatalytic degradation of tetracycline.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114785"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144177509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Haseeba Sadaf , Imtiaz-ud-Din , Mohammed Fettouhi , Shafqat Nadeem , Saeed Ahmad
{"title":"Synthesis, crystal structure and biological activities of a novel palladium(II) complex of 4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","authors":"Haseeba Sadaf , Imtiaz-ud-Din , Mohammed Fettouhi , Shafqat Nadeem , Saeed Ahmad","doi":"10.1016/j.inoche.2025.114780","DOIUrl":"10.1016/j.inoche.2025.114780","url":null,"abstract":"<div><div>A palladium(II) complex of 4-methyl-1,3,4,5-tetrahydro-2<em>H</em>-1,5-benzodiazepin-2-one (Bdazp), {<em>trans</em>-[Pd(Bdazp)<sub>2</sub>Cl<sub>2</sub>]<strong>.</strong>CH<sub>3</sub>CN} (<strong>1</strong>) was synthesized and characterized using thermal analysis and, IR and NMR (<sup>1</sup>H and <sup>13</sup>C) spectroscopy. The crystal structure of the complex was determined by X-ray crystallography. The X-ray analysis shows that the palladium(II) ion in <strong>1</strong> is coordinated by two nitrogen (N5) atoms of Bdazp and two chloride ions at <em>trans</em> positions, assuming a nearly regular square planar geometry. The IR and NMR spectral results are consistent with the coordination of Bdazp to the palladium center. The biological evaluation of the complex indicated that it displayed moderate antibacterial activity and toxicity level against brine shrimps, but its antidiabetic properties were significant compared to the standard drug.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114780"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Study on the adsorption mechanism of heavy metal ions by Thiosulfate-Intercalated ZnAl-LDH","authors":"Jinhui Li, Yuming Wei, Laixi Zou, Yue Luo, Yaozong Liu, Shuaidong Li","doi":"10.1016/j.inoche.2025.114771","DOIUrl":"10.1016/j.inoche.2025.114771","url":null,"abstract":"<div><div>The ZnAl-S<sub>2</sub>O<sub>3</sub> LDH adsorbent was synthesized via an ion exchange method and systematically evaluated for its heavy metal removal performance in electroplating wastewater treatment. The effects of various factors, such as dosage, adsorption time, solution pH, and temperature, on adsorption performance were systematically studied. Analysis of adsorption kinetics and isotherm models confirmed that the adsorption process is chemisorption, consistent with the monolayer adsorption characteristics of the Langmuir model, and is an exothermic spontaneous adsorption process. The study on the adsorption mechanism for Cu<sup>2+</sup> revealed that the adsorption process involves the adsorption by interlayer hydroxyl groups, isomorphic substitution between Cu<sup>2+</sup> and Zn<sup>2+</sup>, and complexation between S<sub>2</sub>O<sub>3</sub><sup>2−</sup> and Cu<sup>2+</sup>, resulting in a maximum adsorption capacity of 251.48 mg/g for Cu<sup>2+</sup>. Competitive adsorption results demonstrated that the adsorption active sites exhibit the strongest affinity for Cu<sup>2+</sup>, and the formation of coordination bonds between S<sub>2</sub>O<sub>3</sub><sup>2−</sup> and metal ions is likely the primary adsorption mechanism. Additionally, background electrolytes (Na<sup>+</sup>, Ca<sup>2+</sup>) have minimal impact on the adsorption, and the adsorption performance remains stable in the presence of high oxidation state ions (Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup>, MnO<sub>4</sub><sup>−</sup>).</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114771"},"PeriodicalIF":4.4,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Treatment of 1,3-dichloro-2-propanol wastewater using layered double oxides","authors":"Zhen Tian , Sen Wang , Miao Yu , Chengping Xie","doi":"10.1016/j.inoche.2025.114747","DOIUrl":"10.1016/j.inoche.2025.114747","url":null,"abstract":"<div><div>1,3-Dichloro-2-propanol (1,3-DCP) is an important class of water pollutant due to its carcinogenicity, mutagenicity and genotoxicity. Layered double oxides (LDOs), are prepared by calcination of layered double hydroxides (LDHs) at high temperatures. They exhibit unique advantages such as high specific surface area, pH stability, anion storage capacity and regeneration ability, which make them effective adsorbents for removing various anionic pollutants. In this study, it was demonstrated for the first time that LDOs converted the organic pollutant 1,3-DCP in wastewater into epichlorohydrin for further utilization. The results indicate that the conversion rate of 1,3-DCP in LDOs suspension is significantly higher than that in alkaline solution with the same pH owing to the pH buffering effect of LDOs. The reaction mechanism was investigated using XRD, SEM, TG, ion chromatography and elemental mapping. It was confirmed that 1,3-DCP was converted into epichlorohydrin in the alkaline environment of the LDOs dispersion, and the LDOs, along with resulting Cl<sup>–</sup>, were transformed into Cl<sup>–</sup> intercalated LDHs after reaction. Furthermore, the effects of 1,3-DCP concentration, solid content of LDOs, and temperature on the conversion rate of 1,3-DCP were systematically examined, providing a theoretical foundation for practical applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114747"},"PeriodicalIF":4.4,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Efficient Antimicrobial/Antifungal activity and photocatalytic degradation of mixed pollutants (CV, CR, and RhB) using Ag-doped CNT-ZnO hybrid nanocomposites","authors":"Rinku Gupta , Deepak Kumar , Kirti Bhardwaj , Deepanshu Rana , Pashupati Pratap Neelratan , Shivom , Sanjeev Kumar Sharma","doi":"10.1016/j.inoche.2025.114720","DOIUrl":"10.1016/j.inoche.2025.114720","url":null,"abstract":"<div><div>In the present work, Ag-doped CNT-ZnO nanocomposites (CNT-AZO NCs) (0,1,3,5,7, and 10 at.%) were synthesized via hydrothermal precipitation at 130 °C and evaluated the antimicrobial, antifungal, and photocatalytic performance. XRD confirmed a wurtzite ZnO phase with 17–27 nm crystallite sizes, where the 7 at.% sample had the smallest size (17 nm), highest microstrain (0.00668), and dislocation density (0.00346 nm<sup>−2</sup>), enhancing catalytic activity. Significant bandgap reduction from undoped (3.10 eV) to 7 at.% (2.54 eV) improved light absorption and charge carrier separation. The 7 at.% showed the highest antibacterial activity (41.5 % inhibition of E. coli), while the 1 at.% sample exhibited the best antifungal performance (72.7 % inhibition of C. albicans). Photocatalytic tests of mixed pollutants (Crystal Violet:CV, Congo Red:CR, and Rhodamine B:RhB) demonstrated a 92 % removal efficiency within 60 min for the optimized sample (7 at.%), with a maximum rate constant of 0.1808 min<sup>−1</sup>. The enhanced antimicrobial and photocatalytic effects were attributed to Ag-induced reactive oxygen species (ROS) generation, structural membrane disruption, and metal ion interactions. This study establishes that Ag-doped CNT-ZnO is a promising biomedical and environmental remediation material.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"179 ","pages":"Article 114720"},"PeriodicalIF":4.4,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144168332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}