Chemical Physics Impact最新文献_第3页

DFT-guided engineering of hydroxylated Ti₃C₂Tₓ MXene for efficient arsenic removal and electrochemical monitoring in vietnamese groundwater dft指导下羟基化Ti₃C₂TₓMXene工程在越南地下水中高效除砷及电化学监测

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2025-12-17 DOI: 10.1016/j.chphi.2025.100993

Vu Thi Hoa

{"title":"DFT-guided engineering of hydroxylated Ti₃C₂Tₓ MXene for efficient arsenic removal and electrochemical monitoring in vietnamese groundwater","authors":"Vu Thi Hoa","doi":"10.1016/j.chphi.2025.100993","DOIUrl":"10.1016/j.chphi.2025.100993","url":null,"abstract":"<div><div>Arsenic contamination in Vietnamese groundwater threatens millions, with concentrations frequently exceeding 600 μg/L in the Mekong and Red River Deltas. Herein, we report the rational design of a hydroxyl‑enriched two-dimensional Ti₃C₂(OH)₂ MXene nano-assembly that simultaneously achieves ultrahigh arsenic adsorption and ultrasensitive electrochemical detection. Advanced DFT calculations incorporating implicit (PCM) and explicit (AIMD) solvation reveal that surface −OH groups drive the spontaneous formation of highly ordered, self-assembled bidentate arsenate monolayers through a supramolecular-like recognition motif, delivering the strongest aqueous-phase binding energy (−2.15 eV for As(V)) among all terminations (−<em>O</em>, −<em>F</em>) via 0.34 e⁻ interfacial charge transfer and a pronounced 0.32 eV work-function shift. These atomically engineered surface nano-assemblies translate into exceptional experimental performance: adsorption capacities of 58.3 mg/g (As(V)) and 41.7 mg/g (As(III)), ultra-fast kinetics (<30 min), wide pH tolerance (4–9), and robust selectivity in complex natural matrices. The same material enables portable electrochemical sensing with a 1.8 μg/L limit of detection and <5 % deviation from ICP-MS across real Vietnamese groundwater samples. A 60-day decentralized household pilot in An Giang province consistently delivered effluent arsenic below 10 μg/L without electricity or chemicals. This work establishes hydroxylated Ti₃C₂Tₓ MXene as a powerful dual-functional 2D nano-assembly platform, bridging molecular-level supramolecular design with field-deployable arsenic mitigation in resource-limited regions.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100993"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921787","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Selenium-doped zirconium oxide nanoparticles as a promising electrode material for high-performance supercapacitors 硒掺杂氧化锆纳米颗粒作为高性能超级电容器极具前景的电极材料

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2025-12-15 DOI: 10.1016/j.chphi.2025.100991

Ephrald Jebishkumar H, Sumithraj Premkumar P

{"title":"Selenium-doped zirconium oxide nanoparticles as a promising electrode material for high-performance supercapacitors","authors":"Ephrald Jebishkumar H, Sumithraj Premkumar P","doi":"10.1016/j.chphi.2025.100991","DOIUrl":"10.1016/j.chphi.2025.100991","url":null,"abstract":"<div><div>Selenium-doped zirconium oxide (ZrO<sub>2</sub>:Se) nanoparticles were synthesized via a microwave-assisted solution combustion route to develop efficient materials for clean energy storage. Structural and morphological studies confirmed a tetragonal crystal structure with a nanocrystalline size of ∼14 nm, as observed from TEM analysis. XPS analysis confirmed the presence of selenium in mixed oxidation states (Se<sup>0</sup>/Se<sup>2-</sup>, Se<sup>4+</sup> and Se<sup>6+</sup>), predominantly existing as surface-adsorbed oxidized species forming Se–O–Zr linkages. Nitrogen adsorption isotherms revealed a high surface area, promoting enhanced electrochemical activity. Electrochemical investigations in 6 M KOH electrolyte demonstrated clear pseudocapacitive behavior, delivering a specific capacitance of 703 F g<sup>-1</sup> at 2 A g<sup>-1</sup>, an energy density of 79.12 Wh kg<sup>-1</sup>, and a power density of 2000 W kg<sup>-1</sup>. The electrode exhibited good cycling stability, retaining approximately 83 % capacitance after 4000 cycles. These findings highlight that selenium incorporation improves electrical conductivity, ion transport, and surface redox activity, making selenium-doped zirconium oxide a promising electrode material for high-performance pseudocapacitor and sustainable energy storage applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100991"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient adsorptive denitrogenation of model fuel using phosphomolybdic acid encapsulated in bio-sorbents synthesized from walnut-based activated carbon and UiO-66(Zr) metal–organic framework 以核桃基活性炭和UiO-66（Zr）金属有机骨架合成的生物吸附剂包封磷钼酸对模型燃料的高效吸附脱氮研究

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2026-02-09 DOI: 10.1016/j.chphi.2026.101021

Sadra Rostami, Amin Alamdari

{"title":"Efficient adsorptive denitrogenation of model fuel using phosphomolybdic acid encapsulated in bio-sorbents synthesized from walnut-based activated carbon and UiO-66(Zr) metal–organic framework","authors":"Sadra Rostami, Amin Alamdari","doi":"10.1016/j.chphi.2026.101021","DOIUrl":"10.1016/j.chphi.2026.101021","url":null,"abstract":"<div><div>PMA-Y/AC-X/UiO-66 composites were prepared and used for the elimination of indole (IND) from a model fuel. The composites were synthesized by hydrothermal technique. The phosphomolybdic acid-encapsulated into bio-sorbents synthesized with walnut-based activated carbon and UiO-66(Zr) metal organic framework were investigated through FTIR, FE-SEM, EDX, XRD, BET, and TGA methods. The role of several parameters, such as phosphomolybdic acid (PMo) content, activated carbon (AC) to metal-organic framework (MOF) ratio, process time, temperature, adsorbent dosage, initial concentration of nitrogen-containing compounds (NCCs), aromatic co-solvent, removal of other basic and neutral NCCs like quinoline (QUI), and carbazole (CBZ), and selectivity was investigated on the adsorptive removal of NCCs. The optimal adsorption capacity for IND (558.2 mg.g<sup>−1</sup>) was resulted in adsorbent dosage= 1 g/L, C<sub>0</sub>=1500 ppm, <em>T</em> = 25 °C for 240 min over PMA-6/AC-30/UiO-66(Zr). Moreover, the experimental data were applied using various isothermal models such as Temkin, Freundlich, Langmuir, and Dubinin-Radushkevich. The isotherm model of Langmuir had a proper fit to the experimental data over PMA-6/AC-30/UiO-66 (R<sup>2</sup>=0.9965). The maximum adsorption capacity of PMA-6/AC-30/UiO-66 for IND was 588.235 mg.g<sup>−1</sup>. Based on the experimental data the pseudo-second order kinetics model showed the best fit over PMA-6/AC-30/UiO-66 for IND with linear regression R<sup>2</sup> of 0.9998. The reusability of PMA-Y/AC-X/UiO-66 composite was affirmed via regeneration through ethanol as solvent. π-complexation of IND with activated carbon (AC) has created a significant role, resulting in an enhancement in Q<sub>0</sub>. From isothermal studies and adsorption kinetics, it was proved that the synthesized composite showed a great potential in removing of NCCs.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 101021"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Structural, morphological, mechanical and biological behavior of TiN thin film coated terbium stabilized zirconia for dental and orthopedic applications TiN薄膜涂层铽稳定氧化锆的结构、形态、力学和生物学行为

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2026-01-23 DOI: 10.1016/j.chphi.2026.101014

Aishwariya Rajendiran, Vijayalakshmi Uthirapathy

{"title":"Structural, morphological, mechanical and biological behavior of TiN thin film coated terbium stabilized zirconia for dental and orthopedic applications","authors":"Aishwariya Rajendiran, Vijayalakshmi Uthirapathy","doi":"10.1016/j.chphi.2026.101014","DOIUrl":"10.1016/j.chphi.2026.101014","url":null,"abstract":"<div><div>Titanium Nitride (TiN) coatings have developed as a decisive surface modification technique for enhancing the performance of biomedical devices, owing to their exceeding mechanical strength and biocompatibility. Titanium nitride (TiN) coated terbium-stabilized zirconia (TbSZ) is a novel material for dental implants with extraordinary mechanical and biocompatibility properties. The high quality TbSZ fabrication is still remains a challenge, yet it shows great promise due to its superior hardness and biocompatibility compared to other doped zirconia ceramics. In this study, TbSZ was synthesized using a co-precipitation method, followed by TiN coating via magnetron sputtering. The incorporation of Tb³⁺ ions into the zirconia structure and the resulting effects on the material’s properties were analysed through various techniques, including Fourier Transform Infrared Spectroscopy (FTIR), Powder X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) with Energy Dispersive X-ray Analysis (EDAX). The TiN coatings were characterized by UV–Vis spectroscopy, XRD, Atomic Force Microscopy (AFM), SEM-EDAX and Micro-CT scanning used to analyse porosity. The results show a significant reduction in porosity in the coated composites. <em>In vitro</em> biocompatibility studies using MG-63 cells at various concentrations ranging from 25 to 500 µg/ml showed that the TiN-coated composites were non-toxic up to 250 µg/ml. Mechanical and biological properties confirmed the enhanced properties of the TiN-coated TbSZ composite. This study suggests that TiN-coated TbSZ is a promising candidate for dental implant applications, with improved biological and mechanical performance.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 101014"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073850","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of Mn(II)-doped SnO2 quantum dots as high-performance photocatalysts for rapid degradation of textile dyes Mn（II）掺杂SnO2量子点用于纺织染料快速降解的高性能光催化剂的合成

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2025-12-29 DOI: 10.1016/j.chphi.2025.100998

Govindhasamy Murugadoss , Nachimuthu Venkatesh , Balachandar Vijayakumar , Vengatesh Panneerselvam , Pandurengan Sakthivel , Thiruppathi Kannappan

{"title":"Synthesis of Mn(II)-doped SnO2 quantum dots as high-performance photocatalysts for rapid degradation of textile dyes","authors":"Govindhasamy Murugadoss , Nachimuthu Venkatesh , Balachandar Vijayakumar , Vengatesh Panneerselvam , Pandurengan Sakthivel , Thiruppathi Kannappan","doi":"10.1016/j.chphi.2025.100998","DOIUrl":"10.1016/j.chphi.2025.100998","url":null,"abstract":"<div><div>Transition-metal doping can significantly tailor the physicochemical properties of SnO₂, improving its optical, structural, and catalytic performance. In this work, Mn-doped SnO₂ quantum dots (1–5 % and 10 %) were synthesised via a simple chemical precipitation method. XRD confirmed a cubic fluorite phase with crystallite sizes of 5–6 nm, while TEM analysis revealed uniformly dispersed hexagonal nanoparticles with an average size of ∼5 nm. UV–DRS and Tauc analysis showed band-gap reduction from 3.12 eV (pure SnO₂) to 2.96 eV (5 % Mn–SnO₂), enhancing visible-light absorption. Photocatalytic studies under natural sunlight demonstrated that 5 % Mn–SnO₂ exhibited the highest degradation efficiencies, achieving 91.2 % for bromophenol blue (BP) and 95.5 % for methylene blue (MB). The corresponding rate constants (0.045 min⁻¹ for BP and 0.055 min⁻¹ for MB) were approximately two times higher than those of undoped SnO₂. A mechanistic pathway based on band-gap narrowing, Mn-induced defect levels, and efficient charge separation is proposed to explain the enhanced photocatalytic performance.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100998"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146022561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Artificial Intelligence-Based Applications in Perovskite Photovoltaic Cells 人工智能在钙钛矿光伏电池中的应用

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2025-12-11 DOI: 10.1016/j.chphi.2025.100988

Usman Mohammed Saidu , Monika Srivastava , Abubakar Sadiq Umar , Serguei V. Savilov , Markas Diantoro

引用次数: 0

In Silico Design of Isoindolinone-Hydrazide Hybrid Compounds as Antiplasmodium Through Molecular Docking, Molecular Dynamics Simulation, and MM-PBSA Calculation 基于分子对接、分子动力学模拟和MM-PBSA计算的抗疟原虫异吲哚酮-肼杂化化合物的硅晶设计

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2025-12-12 DOI: 10.1016/j.chphi.2025.100990

Herlina Rasyid , Muhammad Idham Darussalam Mardjan , Maulidan Firdaus , Nur Asmi , Bahrun Bahrun

{"title":"In Silico Design of Isoindolinone-Hydrazide Hybrid Compounds as Antiplasmodium Through Molecular Docking, Molecular Dynamics Simulation, and MM-PBSA Calculation","authors":"Herlina Rasyid , Muhammad Idham Darussalam Mardjan , Maulidan Firdaus , Nur Asmi , Bahrun Bahrun","doi":"10.1016/j.chphi.2025.100990","DOIUrl":"10.1016/j.chphi.2025.100990","url":null,"abstract":"<div><div>Malaria remains a major global health issue due to the emergence of drug-resistant <em>Plasmodium falciparum</em>. The discovery of new compounds targeting essential enzymes such as <em>P. falciparum</em> lactate dehydrogenase (PfLDH) and <em>P. falciparum</em> dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) is a potential strategy for the development of antimalarials. In this study, 30 Isoindolinone-Hydrazide hybrid compounds were designed and evaluated using <em>in silico</em> molecular docking, molecular dynamics simulations, and MM-PBSA analysis. The molecular docking showed that all compounds exhibited stronger interactions than the native ligands of each protein. In PfLDH, the top three compounds (<strong>1e, 1l</strong>, and <strong>1t</strong>) showed binding energies ranging from -8.3 to -8.6 kcal/mol, more favorable than the native ligand (-5.7 kcal/mol). In PfDHFR-TS, compounds <strong>1k</strong> and <strong>1l</strong> have the best affinity with binding energies of -11.1 and -10.8 kcal/mol, better than the native ligand (-8.1 kcal/mol). Molecular dynamics simulations indicate that the <strong>1l</strong>-PfLDH and <strong>1k</strong>-PfDHFR-TS complex provides the best stability of protein interactions and structure, characterized by low Rg values, minimal RMSD fluctuations, and stable RMSF patterns in key residues. Physicochemical analysis confirms that all compounds comply with Lipinski's rules, supporting their candidacy as drug-like molecules.</div></div><div><h3>Conclusions</h3><div>This computational investigation identifies Isoindolinone-Hydrazide hybrids, particularly compounds <strong>1l</strong> (for PfLDH) and <strong>1k</strong> (for PfDHFR-TS), as promising <em>in silico</em> antimalarial inhibitor candidates. These findings provide a theoretical basis for future experimental validation to confirm their predicted antiplasmodial potential.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100990"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145788325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theoretical investigation on interaction of octopamine neurotransmitter with BN nanocage 章鱼胺类神经递质与BN纳米笼相互作用的理论研究

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2025-12-11 DOI: 10.1016/j.chphi.2025.100989

Tarun Yadav , Ehsan Shakerzadeh , Vetrivelan Vaithiyanathan , Vaibhav Jaiswal , Dileep Kumar Gupta , Anchit Modi , Pradeep Kumar

{"title":"Theoretical investigation on interaction of octopamine neurotransmitter with BN nanocage","authors":"Tarun Yadav , Ehsan Shakerzadeh , Vetrivelan Vaithiyanathan , Vaibhav Jaiswal , Dileep Kumar Gupta , Anchit Modi , Pradeep Kumar","doi":"10.1016/j.chphi.2025.100989","DOIUrl":"10.1016/j.chphi.2025.100989","url":null,"abstract":"<div><div>The present investigation addresses the adsorptive response of octopamine neurotransmitter onto the surface of B<sub>12</sub>N<sub>12</sub> nanocage with density functional theory (DFT) at B3LYP/6–311G(d,p) level of theory. Accordingly, the adsorption behaviour and electronic properties such as HOMO and LUMO energies, chemical potential, Fermi energy, and work function have been explored. The calculations consequences three possible configuration of octopamine@B<sub>12</sub>N<sub>12</sub> nanohybrid offering configuration-(a) as the most favourable configuration with the adsorption energy value of -33.52 kcal/mol. The natural bond orbital (NBO) assessment revealed a charge transfer of 0.382<span><math><mrow><mo>|</mo><mi>e</mi><mo>|</mo></mrow></math></span> from octopamine to B<sub>12</sub>N<sub>12</sub> nanocage, indicating the charge transfer direction from drug to cage. Also, the energy gap of considered nanocage shows reduction by 14% upon interaction with octopamine neurotransmitter. The influence of aqueous medium on the adsorption energy and electronic properties have been also considered.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100989"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Starch/PVA electrospun nanoscaffolds loaded with ultrasonic-assisted green-synthesis of CuO nanoparticles from marine macroalgae (Gracilaria corticata) extract: Cytotoxicity and antioxidant analysis 超声辅助绿色-淀粉/PVA静电纺丝纳米支架-海洋巨藻（Gracilaria corticata）提取物纳米氧化铜合成：细胞毒性和抗氧化分析

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2026-01-30 DOI: 10.1016/j.chphi.2026.101018

Aksitha Sakthiraj , Sivaramakrishnan R , Suresh Subramaniyam , Gopalakrishnan Velliyur Kanniappan , Vijayalakshmi Pandurangan , Selvaraj Jayaraman , Vinoth Kumar Dhayalan , Monica Mironescu , Ion Dan Mironescu , Chella Perumal Palanisamy

{"title":"Starch/PVA electrospun nanoscaffolds loaded with ultrasonic-assisted green-synthesis of CuO nanoparticles from marine macroalgae (Gracilaria corticata) extract: Cytotoxicity and antioxidant analysis","authors":"Aksitha Sakthiraj , Sivaramakrishnan R , Suresh Subramaniyam , Gopalakrishnan Velliyur Kanniappan , Vijayalakshmi Pandurangan , Selvaraj Jayaraman , Vinoth Kumar Dhayalan , Monica Mironescu , Ion Dan Mironescu , Chella Perumal Palanisamy","doi":"10.1016/j.chphi.2026.101018","DOIUrl":"10.1016/j.chphi.2026.101018","url":null,"abstract":"<div><div>A sustainable strategy was developed for the fabrication of starch/polyvinyl alcohol (PVA) electrospun nanoscaffolds loaded with copper oxide (CuO) nanoparticles synthesized via an ultrasonic-assisted green route using <em>Gracilaria corticata</em> extract. Ultrasonication enhanced phytochemical availability, enabling the formation of phase-pure, nanocrystalline CuO with effective stabilization. The resulting nanoparticles were uniformly incorporated into starch/PVA nanofibers, yielding smooth, bead-free scaffolds with improved thermal stability. In vitro studies using 3T3-L1 fibroblasts demonstrated excellent cytocompatibility, with enhanced metabolic activity relative to controls. The nanoscaffolds also exhibited superior antioxidant activity in DPPH, nitric oxide, and superoxide assays compared to CuO nanoparticles or algal extract alone, indicating a synergistic effect between the biopolymer matrix and CuO nanofillers. This work highlights the novelty of combining ultrasonic-assisted algal green synthesis with electrospun biopolymer scaffolds to obtain a multifunctional, cytocompatible nanocomposite with promising antioxidant properties for future biomedical material development.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 101018"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170410","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A CN/MO heterojunction with high stability for efficient environmental pollution removal 高稳定性的CN/MO异质结，高效去除环境污染

IF 4.3

Chemical Physics Impact Pub Date : 2026-06-01 Epub Date: 2025-12-04 DOI: 10.1016/j.chphi.2025.100987

Yanan Liu , Ji Zheng , Long Bao , Yuke Qi , Qian Zhang , Zhongpeng Wang

{"title":"A CN/MO heterojunction with high stability for efficient environmental pollution removal","authors":"Yanan Liu , Ji Zheng , Long Bao , Yuke Qi , Qian Zhang , Zhongpeng Wang","doi":"10.1016/j.chphi.2025.100987","DOIUrl":"10.1016/j.chphi.2025.100987","url":null,"abstract":"<div><div>Photocatalytic is a promising technology for pollutants treatment, however, the practical application is still hindered by the lack of efficient photocatalysts. Herein, a novel Z-scheme g-C<sub>3</sub>N<sub>4</sub>/MoO<sub>3</sub> (CN/MO) heterojunction photocatalyst was designed via in-situ calcination method for efficient degrading methylene blue (MB). The introduction of CN can greatly improve the light absorption capacity and accelerate the migration and separation efficiency of photoinduced e<sup>-</sup>-h<sup>+</sup> pairs, showing a significant enhancement in photocatalytic activity. Upon visible light irradiation, the optimal CN/MO composites exhibited superior MB removal efficiency (95 % within 25 min), which is 2.0 times and 3.3 times greater than those of pure CN and MO. In addition, the CN/MO composites showed excellent recycling stability. The radical experiments unveiled that the •OH, O<sub>2</sub>˙<sup>−</sup> and h<sup>+</sup> play major roles in MB removal, then a Z-scheme degradation mechanism was proposed. This work provided new insights into the design of more efficient photocatalysts for environmental degradation applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100987"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0