PolyhedronPub Date : 2025-06-14DOI: 10.1016/j.poly.2025.117642
Kai Xu , Tairan Pang , Ming Zhang , Mingrui Zhang , Wentai Zhao , Zicheng Chen
{"title":"Polydopamine-encapsulated diatomite composites loaded with ZIF-8 for efficient adsorption of anionic dyes and nanoplastics from water","authors":"Kai Xu , Tairan Pang , Ming Zhang , Mingrui Zhang , Wentai Zhao , Zicheng Chen","doi":"10.1016/j.poly.2025.117642","DOIUrl":"10.1016/j.poly.2025.117642","url":null,"abstract":"<div><div>The composite of natural minerals with MOFs represents a promising strategy for developing novel and efficient adsorbents in water pollution treatment. In this study, polydopamine was coated on diatomite (D/P), and then Zeolitic Imidazolate Framework-8 (ZIF-8) was loaded on D/P by a facile one-step solvothermal method to prepare multi-functional composite materials (D/P/Z). Finally, the adsorption properties of D/P/Z on anionic pollutants such as methyl orange dye (MO) and nano polystyrene (NPS) plastics were investigated. The results showed that under favorable conditions, the adsorption rates of MO and NPS by D/P/Z4 reached 98.82 % and 91.53 % respectively within 5 min. Meanwhile, D/P/Z4 exhibited excellent recyclability, maintaining an adsorption rate of MO higher than 50 % even after 10 cycles. Electrostatic interaction was the key factor contributing to the high adsorption capacity of D/P/Z4. Moreover, the incorporation of polydopamine not only enhanced the stability and uniformity of ZIF-8 loading on the diatomite surface but also further improved the adsorption capacity of the adsorbent. This study provides a new way to fabricate a composite based on diatomite and a rapid and efficient solution for adsorbing anionic pollutants such as MO and NPS in water.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117642"},"PeriodicalIF":2.4,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144365884","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}
PolyhedronPub Date : 2025-06-14DOI: 10.1016/j.poly.2025.117641
M. Awais Munawar , M. Hisham Al Nasir , Nasir Mehboob , Muhammad Azam Qamar
{"title":"Size-dependent magnetic properties and anisotropy in biocompatible Co2B nanoparticles: enhancing SAR efficiency for magnetic hyperthermia therapy","authors":"M. Awais Munawar , M. Hisham Al Nasir , Nasir Mehboob , Muhammad Azam Qamar","doi":"10.1016/j.poly.2025.117641","DOIUrl":"10.1016/j.poly.2025.117641","url":null,"abstract":"<div><div>This study investigates the magnetic and thermal properties of cobalt boride (Co<sub>2</sub>B) nanoparticles, synthesized using arc-melting and ball-milling techniques, for potential use in self-controlled magnetic hyperthermia. Ball milling (BM) effectively reduced crystallite size, significantly affecting key magnetic properties such as saturation magnetization and coercivity, both of which showed strong size dependence. The nanoparticles exhibited a Curie temperature within the therapeutic range (315–320 K), making them ideal candidates for hyperthermia-based cancer treatment. The effective anisotropy constant <span><math><msub><mi>K</mi><mrow><mi>eff</mi></mrow></msub></math></span> and exchange stiffness constant <span><math><msub><mi>A</mi><mrow><mi>exc</mi></mrow></msub></math></span> also derived from experimental coercivity values using the single domain (SD) particle size limit. The specific absorption rate (SAR) reached a maximum of 10 W/g for nanoparticles with an average crystallite size of 34 nm, demonstrating superior heating efficiency compared to other magnetic nanoparticles. Hemolysis as well as WST-8 assays (water-soluble tetrazolium salt) confirmed the biocompatibility of Co<sub>2</sub>B nanoparticles, and encapsulation within liposomal formulations further reduced cytotoxicity. These findings underscore the potential of Co<sub>2</sub>B nanoparticles for biomedical applications, particularly in magnetic hyperthermia therapy.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117641"},"PeriodicalIF":2.4,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144321840","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}
PolyhedronPub Date : 2025-06-13DOI: 10.1016/j.poly.2025.117634
Arbia Ben Khelifa , Salma Dhifaoui , Khaireddine Ezzayani , Amal N. Alanazi , Souad Moussa , Habib Nasri
{"title":"Molecular docking, evaluation of antibacterial activity, and Hirschfeld surface analysis of iron (II) porphyrin complex","authors":"Arbia Ben Khelifa , Salma Dhifaoui , Khaireddine Ezzayani , Amal N. Alanazi , Souad Moussa , Habib Nasri","doi":"10.1016/j.poly.2025.117634","DOIUrl":"10.1016/j.poly.2025.117634","url":null,"abstract":"<div><div>In this work, Hirshfeld surface analysis, biological study on bacterial and fungal strains, theoretical molecular docking study was performed on the complex [Fe<sup>II</sup>(TPP-Cl)(BzNH<sub>2</sub>)<sub>2</sub>]<em>n</em>-hexane [where TPP-Cl and BzNH<sub>2</sub> are 5,10,15,20-tetrakis(4-chlorophenyl) porphyrinate (I)]. The crystal structure also contains one inversion-symmetric <em>n</em>-hexane solvent molecule per complex molecule. The average Fe—N<sub>pyrrole</sub> bond length [1.994 (3) Å] indicate a low spin complex. The crystal packing is sustained by N<img>H⋯Cl and C<img>H⋯Cl hydrogen-bonding interactions and by C<img>H⋯π intermolecular interactions, leading to a three-dimensional network structure. Finally, the bioactivity investigations revealed that iron porphyrins could serve as novel antibacterial agents. Docking of the complex (I) into the active sites of bacterial proteins; <em>S. aureus (</em>7EMO), <em>E. faecalis</em> (4O8L), <em>S. pneumoniae</em> (4QLO), <em>P. aeruginosa</em> (3CLQ), <em>A. Niger</em> (3K4P) and <em>A. fumigatus</em> (5JGJ) was performed to detect the degree of antibacterial recognition activity.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117634"},"PeriodicalIF":2.4,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144306917","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}
PolyhedronPub Date : 2025-06-11DOI: 10.1016/j.poly.2025.117636
Nayera Anjum , Tanmoy Chakraborty , Suman Mallick
{"title":"In-silico investigation on electronic structures and electronic absorption spectra of quintuply bonded dimolybdenum complexes Mo2[μ-RʹC(N-2,6-iPr2-4-RC6H2)2]2 (Rʹ = H, Ph; R = H, CH3, OCH3, F, Cl, and CF3)","authors":"Nayera Anjum , Tanmoy Chakraborty , Suman Mallick","doi":"10.1016/j.poly.2025.117636","DOIUrl":"10.1016/j.poly.2025.117636","url":null,"abstract":"<div><div>The electronic absorption spectra of the quintuply bonded dimolybdenum(I) complexes Mo<sub>2</sub>[<em>μ</em>-HC(N-2,6-<sup>i</sup>Pr<sub>2</sub>-4-C<sub>6</sub>H<sub>3</sub>)<sub>2</sub>]<sub>2</sub> (<strong>2</strong>(H)) and Mo<sub>2</sub>[<em>μ</em>-PhC(N-2,6-<sup>i</sup>Pr<sub>2</sub>-4-C<sub>6</sub>H<sub>3</sub>)<sub>2</sub>]<sub>2</sub> (<strong>3</strong>(H)) are presented and discussed. Allowed electronic transitions for these complexes, and their prototypical modelled complexes Mo<sub>2</sub>[<em>μ</em>-RʹC(N-2,6-<sup>i</sup>Pr<sub>2</sub>-4-RC<sub>6</sub>H<sub>2</sub>)<sub>2</sub>]<sub>2</sub> (where Rʹ = H, Ph; R = CH<sub>3</sub>, OCH<sub>3</sub>, F, Cl, and CF<sub>3</sub>) are calculated using time-dependent density functional theory (TDDFT). For two sets of six complexes, the electronic structure and nature of occupied frontier molecular orbitals are similar. The HOMO is constructed mainly by the Mo<sub>2</sub>-based δ orbital with some admixture of ligand-based π orbitals, while LUMO is mainly Mo<sub>2</sub>-based δ* orbital. The calculated absorption spectra of the complexes are scrutinized in comparison with the experimental spectra of <strong>2</strong>(H) and <strong>3</strong>(H).</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117636"},"PeriodicalIF":2.4,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144270746","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}
PolyhedronPub Date : 2025-06-11DOI: 10.1016/j.poly.2025.117640
Dalia M. Obeid , Firas F. Awwadi , Hamdallah A. Hodali , Mousa Z. Al-Noaimi
{"title":"Syntheses and single crystal structures of ruthenium complexes bearing NP and acac or hexafluoroacac ligands: Electrochemical properties and computational studies","authors":"Dalia M. Obeid , Firas F. Awwadi , Hamdallah A. Hodali , Mousa Z. Al-Noaimi","doi":"10.1016/j.poly.2025.117640","DOIUrl":"10.1016/j.poly.2025.117640","url":null,"abstract":"<div><div>The newly synthesized ruthenium(II) complexes: [Ru(N<img>P)<sub>2</sub>(acac)].PF<sub>6</sub> (<strong>I)</strong> and [Ru(N<img>P)<sub>2</sub>(acac-F)].PF<sub>6</sub> (<strong>II</strong>), where N<img>P = 8-(diphenylphosphino)quinolone, acac = acetylacetonato anion and acac-F = hexafluoroacetylacetonato anion, have been isolated and characterized by FT-IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR, UV–Vis and single crystal X-ray analysis. Both complexes assume distorted octahedral structures. Theoretical calculations on the geometries of both complexes using DFT/B3LYP method showed a good match with the X-ray crystal structures. The calculated UV–Vis spectra of both complexes are in agreement with the experimentally measured ones. Cyclic voltammetry conducted on both complexes showed a reversible oxidative for the Ru(III)/Ru(II) couple. However, complex (<strong>II</strong>) showed a cathodic shift due to the e-withdrawing effect of F-atoms on the acac-F ligand.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117640"},"PeriodicalIF":2.4,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144298822","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":"High-performance lithium-sulfur battery separator based on bimetallic ZIF-8 derived porous carbon material","authors":"Zhiqiang Tang, Xinzuo Fang, Jiawei Shen, Fajun Wang, Junfei Ou, Changquan Li","doi":"10.1016/j.poly.2025.117638","DOIUrl":"10.1016/j.poly.2025.117638","url":null,"abstract":"<div><div>Lithium-sulfur batteries (LSBs) are considered to be the most promising energy storage system due to their high specific capacity and energy density. In order to solve the problem that soluble polysulfide intermediates diffuse between cathode and anode during charging and discharging, which leads to rapid attenuation of battery cycle life, the separator modification materials come into people’s sight. Herein, a material that blends Ni<sup>2+</sup> with ZIF-8 bimetal (Ni-ZIF-8-C) is synthesized and directly coated on the original separator for LSBs. Due to their versatility and modification, metal–organic frameworks (MOFs) have been explored as templates and precursors for various elementally doped carbon materials for a wide range of applications in electrochemistry. In this study, Ni and Zn co-doped porous carbon was obtained using bimetallic ZIF-8 as template and precursor. Ni and Zn enable rapid absorption of lithium polysulfides (LiPSs). Therefore, the lithium-sulfur battery with Ni-ZIF-8-C separator has high specific discharge capacity and cycling performance.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117638"},"PeriodicalIF":2.4,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144279731","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}
PolyhedronPub Date : 2025-06-09DOI: 10.1016/j.poly.2025.117633
Tauheeda Riaz , Hira Maqsood , Tayyaba Shahzadi , Maria Zaib , Muhammad Tariq Qamar
{"title":"Unveiling the efficacy of bimetallic nanoparticles in carboxymethyl cellulose based nanocomposite for imidacloprid remediation","authors":"Tauheeda Riaz , Hira Maqsood , Tayyaba Shahzadi , Maria Zaib , Muhammad Tariq Qamar","doi":"10.1016/j.poly.2025.117633","DOIUrl":"10.1016/j.poly.2025.117633","url":null,"abstract":"<div><div>In recent work, a novel nanocomposite CuO/SnO<sub>2</sub>@CMC was synthesized from bimetallic nanoparticles of copper and tin combined with carboxymethyl cellulose (CMC). This nanocomposite was applied to remove the imidacloprid pesticide from water-based solutions. The synthesized nanomaterial was analyzed via UV–Visible spectroscopy, XRD, TGA, FTIR, EDX and SEM to evaluate its chemical composition, thermal stability, optical properties, morphology, and size. Many factors such as concentration of the pesticide, contact time, solution pH, and catalyst dosage were investigated and optimized for the removal of imidacloprid from aqueous media. The maximum removal efficiency of imidacloprid was achieved using CuO/SnO<sub>2</sub>@CMC nanocomposite at pH 9, with a 4 mg adsorbent dosage, 5 mg/L pesticide concentration, at 45 °C, in 120 min. The experimental data best fit the pseudo-second-order kinetic model. Freundlich<!--> <!-->and Langmuir models<!--> <!-->explained the<!--> <!-->nature<!--> <!-->of<!--> <!-->adsorption<!--> <!-->and<!--> <!-->among them the<!--> <!-->Langmuir model was found to follow more<!--> <!-->closely. Thermodynamic parameters explained the spontaneous and endothermic nature of the adsorption process. The recovery and reusability of CuO/SnO<sub>2</sub>@CMC nanocomposite were studied, and it was concluded that the nanocomposite can be used 4 times for the imidacloprid adsorption process.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117633"},"PeriodicalIF":2.4,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144306856","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}
PolyhedronPub Date : 2025-06-09DOI: 10.1016/j.poly.2025.117637
Perveen Bibi , Abdualziz Alsharif , Tahani Rahil Aldhafeeri , Hameed Ullah , Mohamed Mohamed Soliman , Ahmed Gaber , Syed Asim Ali Shah , Ariba Farooq , Hafiz Muhammad Asif
{"title":"Polyoxometalate ionic liquid Hydrogel: An innovative Stimuli–Responsive Approach for effective corrosion product removal","authors":"Perveen Bibi , Abdualziz Alsharif , Tahani Rahil Aldhafeeri , Hameed Ullah , Mohamed Mohamed Soliman , Ahmed Gaber , Syed Asim Ali Shah , Ariba Farooq , Hafiz Muhammad Asif","doi":"10.1016/j.poly.2025.117637","DOIUrl":"10.1016/j.poly.2025.117637","url":null,"abstract":"<div><div>Surgical instruments, such as AISI–420 and AISI–304, commonly made of titanium alloys and stainless steels, are tailored for specific surgical procedures. However, these instruments are prone to contamination and corrosion, primarily due to bacterial adherence and interaction between acidic environments and the metallic surface. To address this issue, herein, we synthesized an innovative hydrogel incorporating polyoxometalate-based ionic liquid (POM–IL) with chitosan and polyvinyl alcohol (Q<sup>10</sup>[V<sub>18</sub>O<sub>42</sub>] @ PVA–CS hydrogel). This hydrogel demonstrated exceptional corrosion product removal. It exhibited a well–defined morphology, superior thermal stability and effective corrosion product removal properties, capable of peeling off corrosion layers without damaging the underlying material as supported by SEM and EIS data. The Q<sup>10</sup>[V<sub>18</sub>O<sub>42</sub>] @ PVA-CS hydrogel was comprehensively characterized by fourier transform infrared, scanning electron, energy dispersive X–rays, powder X–rays, ultraviolet–visible spectroscopy, thermal gravimetric analysis, differential scanning calorimetry and electrochemical impedance spectroscopy. When applied to corroded scalpel handle, the hydrogel coating facilitated the removal of 6.1% weight without harming the scalpel surface. Electrochemical impedance measurements showed a significant charge transfer resistance reduction from 71.1 Kῼ (coated) to 34.2 Kῼ (uncoated) after removing the coating, highlighting its efficacy. These findings positions, Q<sup>10</sup>[V<sub>18</sub>O<sub>42</sub>] @ PVA–CS hydrogel as a multifunctional material with broad applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117637"},"PeriodicalIF":2.4,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144270743","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}
PolyhedronPub Date : 2025-06-09DOI: 10.1016/j.poly.2025.117635
Zhiqiang Hao , Jinyue Li , Hui Xu , Zhuohao Jiao , Zhihong Ma , Jinjin Zhao , Jin Lin
{"title":"Ruthenium(II) complexes-catalyzed direct oxidation of primary amines to amides using air as oxidant","authors":"Zhiqiang Hao , Jinyue Li , Hui Xu , Zhuohao Jiao , Zhihong Ma , Jinjin Zhao , Jin Lin","doi":"10.1016/j.poly.2025.117635","DOIUrl":"10.1016/j.poly.2025.117635","url":null,"abstract":"<div><div>The catalytic performance of salicylaldimine-based ruthenium carbonyl complexes [ArN = CH(3-<em><sup>t</sup></em>BuC<sub>6</sub>H<sub>3</sub>O)]<sub>2</sub>Ru(CO)<sub>2</sub> [Ar = C<sub>6</sub>H<sub>5</sub> (<strong>1a</strong>); 4-OMeC<sub>6</sub>H<sub>4</sub> (<strong>1b</strong>); 4-MeC<sub>6</sub>H<sub>4</sub> (<strong>1c</strong>); 2,4,6-Me<sub>3</sub>C<sub>6</sub>H<sub>2</sub> (<strong>1d</strong>); 4-ClC<sub>6</sub>H<sub>4</sub> (<strong>1e</strong>); 4-BrC<sub>6</sub>H<sub>4</sub> (<strong>1f</strong>)] were explored in aerobic oxidation of aromatic amines to amides in refluxing <em><sup>t</sup></em>BuOH. All the ruthenium complexes <strong>1a-1f</strong> showed good catalytic activity to selectivity access to amines and the complex <strong>1f</strong> was found to the best catalyst. The present catalytic system is operationally simple and displayed good functional group tolerance. A variety of amides were obtained in 47 %–90 % yields.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117635"},"PeriodicalIF":2.4,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144270744","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}
PolyhedronPub Date : 2025-06-07DOI: 10.1016/j.poly.2025.117628
A. Sahmi , H. Lahmar , M. Benamira , M. Trari
{"title":"Advances in photo-electrocatalytic materials for environmental protection: Application to water and wastewater treatment","authors":"A. Sahmi , H. Lahmar , M. Benamira , M. Trari","doi":"10.1016/j.poly.2025.117628","DOIUrl":"10.1016/j.poly.2025.117628","url":null,"abstract":"<div><div>This work explores the elimination of Rhodamine B (Rh B) via electrocatalytic and electro-photocatalytic processes, employing Ba<sub>2</sub>SnO<sub>4</sub> double perovskite as the anodic material. Ba<sub>2</sub>SnO<sub>4</sub> was synthesized via hydrothermal method and comprehensively characterized using structural, optical, and electrochemical techniques to evaluate its potential for Rhodamine B oxidation. X-ray diffraction confirmed the formation of a single-phase tetragonal structure (space group <em>I</em>4/<em>mmm</em>), with spherical particles approximately 50 nm in diameter. Dynamic light scattering (DLS) indicated an average particle size of 0.35 µm, and zeta potential measurements showed a surface charge of −5 mV. Scanning electron microscopy revealed a porous surface texture. Optical characterization via diffuse reflectance spectroscopy identified a direct bandgap of 3.23 eV, attributed to O<sup>2−</sup> (2p) to Sn<sup>4+</sup> (5 s) charge transfer. The material demonstrated high chemical resilience across a wide pH range. Mott-Schottky analysis confirmed its <em>n</em>-type semiconducting nature, likely due to oxygen vacancies. The observed low electron mobility was linked to the narrow conduction band formed by Sn<sup>4+</sup>: 5 s states, with an activation energy of 18 meV, indicative of small polaron hopping as the dominant transport mechanism. The current density–voltage (J–E) curve in NaCl (10<sup>−2</sup> M) displayed minimal hysteresis, characteristic of a chemically stable system akin to a chemical diode. In electrocatalytic tests, ∼65% of Rh B was degraded under a direct current of 150 mA, showcasing antibacterial effects. This performance was significantly enhanced under combined electro-photocatalytic conditions, reaching ∼95% degradation under simultaneous exposure to sunlight and electrical bias.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117628"},"PeriodicalIF":2.4,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144270745","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}