Chemical Physics Impact最新文献

{"title":"Fe₂O₃/NiO/C nanocomposite synthesis via the coprecipitation method for the photocatalytic degradation of methylene blue dye: synergetic effect","authors":"Abinet Mekonnen ,&nbsp;Nejat Redwan Habib ,&nbsp;Mamaru Bitew Alem ,&nbsp;S. Giridhar Reddy ,&nbsp;C.R. Ravikumar ,&nbsp;B. Avinasha ,&nbsp;H.C. Ananda Murthy ,&nbsp;Buzuayehu Abebe","doi":"10.1016/j.chphi.2026.101005","DOIUrl":"10.1016/j.chphi.2026.101005","url":null,"abstract":"<div><div>Wastewater generated from textile industries mostly consists of a persistent synthetic organic dye, which has adverse effects on human health and aquatic ecosystems. In this study, the Fe₂O₃/NiO/carbon nanocomposites were synthesized via a coprecipitation method. The source of carbon is from spent coffee grounds. Different molar ratios of precursor salts, Fe(NO₃)₃.9H₂O (0.2 M, 0.1 M, and 0.2 M) and Ni(NO₃)₂.6H₂O (0.2 M, 0.2 M, and 0.1 M), were used. These precursor salts were combined with a constant 0.2 g of carbon coded as (1:1)C, (1:2)C and (2:1)C ratios, respectively. From the XRD pattern analysis, the approximate average crystallite size was found to be 20, 13, and 16 nm for (1:1)C, (1:2)C, and (2:1)C composites, respectively. The porous morphology (BET surface area = 122.826 m²/g), well-scattered elemental distribution, and composition were confirmed from the FESEM-EDS elemental mapping analysis. The approximate particle size obtained from the TEM image is found to be in the range of 10–60 nm. The HRETM image confirmed the composites' formation with <span>d</span>-spacing values of 0.24 and 0.16 nm for Fe₂O₃ and NiO, respectively. The white spots and concentric rings on the SAED ring image confirm the crystalline nature of the materials. FTIR results showed that there was a bending vibration that had to do with the Fe-O and Ni-O bonds. From the PL result, the (1:2)C composite showed the lowest PL intensity compared to (1:1)C and (2:1)C, indicating the presence of greater electron-hole recombination hindrance within (1:2)C heterostructures. The (1:2)C composite also showed the highest methylene blue dye degradation efficiency of 93.35% (<em>k</em> = 0.101 min⁻¹) at the optimized conditions and 30 min irradiation time.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 101005"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921782","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}

{"title":"From static to tunable: Strain-engineered functional modulation in Mg3PX3(X = I, Br, Cl, and F) inorganic perovskites using first-principles calculations","authors":"I.K. Gusral Ghosh Apurba ,&nbsp;Md Rasidul Islam ,&nbsp;Okba Saidani ,&nbsp;Farhad Ilahi Bakhsh ,&nbsp;Sourav Roy ,&nbsp;A.M. Quraishi ,&nbsp;Sobhi M. Gomha ,&nbsp;Md Masud Rana","doi":"10.1016/j.chphi.2026.101008","DOIUrl":"10.1016/j.chphi.2026.101008","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Over several years, solar technology has been concentrating on inorganic perovskite-based materials due to their unique optical, electrical, and structural properties. This study explored the influence of biaxial compressive and tensile strain on the optical, electrical, and structural attributes of the inorganic halide perovskites &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;X&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;(X=I, Br, Cl, and F) in detail, applying first-principles density-functional theory (FP-DFT). The work notably pioneered the identification of the Mg-cation's impact on the optical, electrical, and structural properties of inorganic perovskites. The semiconductor substances &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;&lt;em&gt;,&lt;/em&gt; &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;l&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; have an indirect bandgap of 0.4726 eV, 1.4705 eV, 2.3284 eV between the points of R and Γ(gamma), and&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; have a direct bandgap of 3.5028 eV at the Γ(gamma)-point, based on the electronic band structures. The bandgaps of the &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;I&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;, &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;mi&gt;B&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;r&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;&lt;em&gt;,&lt;/em&gt; &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;mi&gt;C&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;l&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;F&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; Perovskites have band gaps of 0.6477 eV, 1.8032 eV, 2.6710 eV, and 4.3676 eV, while the spin-orbital coupling (SOC) quantum effect is also gradually taken into account. Similarly, bandgaps of all structures tend to increase with compressive load and decrease under tensile strain. The visible part of the spectrum can be significantly absorbed, exhibited by losses of electron ratios, owing to optical metrics like dielectric functions, absorption parameters, heat capacity, entropy, Elastic constants, Poisson's ratio, anisotropic factor, Pugh's ratio, bulk modulus, and the band characteristics of these materials. Reduced compressive strain leads to a redshift in the dielectric constant, reaching its highest value of &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;M&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;g&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mi&gt;P&lt;/mi&gt;&lt;msub&gt;&lt;mi&gt;X&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;mspace&gt;&lt;/mspace&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;(X=I, Br, Cl, and F), whereas reductions in tensile strain cause","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 101008"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921784","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}

{"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 (&lt;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 &lt;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}

{"title":"Selenium-doped zirconium oxide nanoparticles as a promising electrode material for high-performance supercapacitors","authors":"Ephrald Jebishkumar H,&nbsp;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 (ZrO₂: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 (Se⁰/Se^2-, Se⁴⁺ and Se⁶⁺), 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^-1 at 2 A g^-1, an energy density of 79.12 Wh kg^-1, and a power density of 2000 W kg^-1. 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}

{"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,&nbsp;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⁻¹) was resulted in adsorbent dosage= 1 g/L, C₀=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 (R²=0.9965). The maximum adsorption capacity of PMA-6/AC-30/UiO-66 for IND was 588.235 mg.g⁻¹. 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 R² 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 Q₀. 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}

{"title":"Corrigendum to “Repurposing antiviral drugs targeting the PARP-1 and HER2 pathways with multifaceted impacts through integrated network analysis and molecular mechanics” [Chemical Physics Impact 10 (2025) 100812]","authors":"Uma Maheshwari Mugundan ,&nbsp;Praveen Sekar ,&nbsp;Rajanandh Muhasaparur Ganesan","doi":"10.1016/j.chphi.2025.100899","DOIUrl":"10.1016/j.chphi.2025.100899","url":null,"abstract":"","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100899"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148230929","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}

{"title":"Surface-mediated electrochemistry and interfacial thermodynamics of halide perovskite quantum dots for advanced batteries","authors":"Ghada Al-Assi ,&nbsp;Abbas Hashim Abdulsalam ,&nbsp;Israa abdulhameed ahmad ,&nbsp;Praharshkumar B. Raj ,&nbsp;Subbulakshmi Ganesan ,&nbsp;Priyanka Sharma ,&nbsp;Sadridin Eshkaraev ,&nbsp;Erkabay Eshchanov ,&nbsp;Naser Aslanian","doi":"10.1016/j.chphi.2026.101083","DOIUrl":"10.1016/j.chphi.2026.101083","url":null,"abstract":"<div><div>Halide perovskite quantum dots (HPQDs) have emerged as promising multifunctional electrochemical materials for advanced battery technologies owing to their quantum-confined electronic structure, tunable bandgap, and chemically active interfaces. This review examines the surface-mediated electrochemical behavior of HPQDs and their role in addressing persistent limitations in next-generation energy-storage systems, including sluggish ionic transport, interfacial instability, and limited catalytic activity. By analyzing the structural and compositional origins of HPQD performance, we highlight how surface ligand chemistry, quantum dot–electrolyte thermodynamics, and band alignment with host redox materials govern electrochemical functionality in solid polymer electrolytes, lithium–sulfur batteries, and photo-assisted electrochemical systems. Three unifying design principles are identified: Lewis acid–base surface engineering, thermodynamic host-state matching, and light–electrochemical coupling. These concepts provide a framework for rational interface design to improve charge transfer, ionic mobility, and reaction kinetics. Despite their considerable promise, practical implementation remains limited by long-term stability, lead toxicity, scalability, and techno-economic constraints. Future progress will depend on scalable synthesis routes, advanced encapsulation and recycling strategies, and the development of stable lead-free HPQDs compatible with commercially relevant battery architectures.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 101083"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148230928","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}

{"title":"Structural, morphological, mechanical and biological behavior of TiN thin film coated terbium stabilized zirconia for dental and orthopedic applications","authors":"Aishwariya Rajendiran,&nbsp;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}

{"title":"Synthesis of Mn(II)-doped SnO2 quantum dots as high-performance photocatalysts for rapid degradation of textile dyes","authors":"Govindhasamy Murugadoss ,&nbsp;Nachimuthu Venkatesh ,&nbsp;Balachandar Vijayakumar ,&nbsp;Vengatesh Panneerselvam ,&nbsp;Pandurengan Sakthivel ,&nbsp;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}

{"title":"Artificial Intelligence-Based Applications in Perovskite Photovoltaic Cells","authors":"Usman Mohammed Saidu ,&nbsp;Monika Srivastava ,&nbsp;Abubakar Sadiq Umar ,&nbsp;Serguei V. Savilov ,&nbsp;Markas Diantoro","doi":"10.1016/j.chphi.2025.100988","DOIUrl":"10.1016/j.chphi.2025.100988","url":null,"abstract":"<div><div>Perovskites have proved themselves to be the champion material in terms of producing highly efficient solar cells. But due to their instability in ambient condition and toxicity of lead the commercialization of perovskite solar cells has not possible till date. The usage of Artificial Intelligence and Machine learning in photovoltaics have paved new ways which leads to formation of new perovskite compositions and materials, optimized deposition techniques and also the predicted performance of the device. A descriptive review of the research in optimization of the perovskites for its application in solar cells and the various Artificial Intelligence and machine learning models used for these prediction studies has been described here.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100988"},"PeriodicalIF":4.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145788323","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}