Solid State Communications最新文献

{"title":"Anti-cancer chlorambucil drug delivery by Pt, au, and Ir-decorated ZnO nanotubes","authors":"Yousef Ahmed ,&nbsp;Abdulrahman T. Ahmed ,&nbsp;Mohammed Ahmed Mustafa ,&nbsp;Ashish Kakkad ,&nbsp;Suhas Ballal ,&nbsp;Rishiv Kalia ,&nbsp;Aziz Kubaev ,&nbsp;Renu Arya ,&nbsp;Ali Yousif Ibraheem ,&nbsp;M. Bekit ,&nbsp;Ahmed M. Naglah","doi":"10.1016/j.ssc.2025.115972","DOIUrl":"10.1016/j.ssc.2025.115972","url":null,"abstract":"<div><div>The pristine ZnO nanotube (ZnONT) and the X (X = Pt, Au, and Ir)-decorated ZnONT (X@ZnONT) forms were studied as drug delivery systems (DDSs) for the anti-cancer chlorambucil (ChB) drug using DFT computations. The pure ZnONT was not ideal for the drug delivery with the adhesion energy (AE) from −5.9 to −6.8 kcal/mol. The AE increased to −29.7, −27.1, and −30.8 kcal/mol after decorating the Pt, Au, and Ir onto the ZnONT, respectively. The presence of X atoms had a significant influence on creating the virtual orbitals in X@ZnONT. Consequently, it increases the adhesion capacity which makes the nanotube more favorable for drug delivery purposes. A drug release mechanism was proposed in low-pH cancerous tissues. In this mechanism, ChB becomes significantly protonated, causing it to separate from the surface. The reaction type of ChB with ZnONT changes from a covalent bond to a hydrogen bond in the acidic cancerous cells.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115972"},"PeriodicalIF":2.1,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143878969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modulation of biaxial strains on the optical responses of defective Ti3C2 Tx (T = F, O, OH) MXenes","authors":"Yulong Zhang ,&nbsp;Zhongwei Zhao ,&nbsp;Jieyun Yan ,&nbsp;Huajie Song ,&nbsp;Wenting Lv ,&nbsp;Yu Yang","doi":"10.1016/j.ssc.2025.115970","DOIUrl":"10.1016/j.ssc.2025.115970","url":null,"abstract":"<div><div>MXenes have potential applications for adsorbing radioactive elements and protecting surfaces of radioactive materials. Keeping integrity is important for practical applications. Thus, an efficient way for detecting hole defects as well as strain conditions becomes required. Here based on first-principles calculations on the electronic structures and optical properties, we present a systematic result for optical detections on hole defects as well as strain conditions of Ti₃C₂<em>T</em>₂ (<em>T</em> = F, O, OH) MXenes. Introduction of hole defects affects the chemical bondings of surrounding functional groups, and biaxial strains from −4 % to 4 % causes negligible bonding distortions. The change in bonding lengths under different strains is below 0.05 Å. Since the electronic states of functional groups distribute deeply away from the Fermi level, the absorption spectra in the ultraviolet frequency range show obvious modulation effects for hole defects and strain conditions. A quantitative relationship has been established. Our results can be used for detecting both the defect structures and strain conditions of Ti₃C₂<em>T</em>₂ (<em>T</em> = F, O, OH) MXenes.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115970"},"PeriodicalIF":2.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143873984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of antibacterial and anticancer activities of WO3 nanostructures","authors":"M. Muniyalakshmi ,&nbsp;D. Thilaga Sundari ,&nbsp;R. Sarika ,&nbsp;D. Silambarasan ,&nbsp;V. Prasanna Venkatesh","doi":"10.1016/j.ssc.2025.115969","DOIUrl":"10.1016/j.ssc.2025.115969","url":null,"abstract":"<div><div>In this work, tungsten trioxide nanoparticles (WO₃ NPs) was prepared by hydraulic acid-assisted precipitation method and WO₃ nanorods (NRs) and WO₃ nanosheets (NSs) were synthesized by sol-gel method. Structural, morphological, vibrational, specific surface and pore size distribution, optical, thermal, electrochemical properties, antibacterial and anticancer activities of the synthesized nanostructures were analysed. X-ray diffraction (XRD) was employed to find the phase and lattice parameters. The synthesized WO₃ nanostructures were of monoclinic (NPs), triclinic (NRs) and monoclinic (NSs) crystalline phases. The morphology analyses inferred that the NPs were equally distributed with almost uniform size without any agglomeration, NRs entangled, grew up in batches and the NSs stacked together. Raman and Fourier Transform Infrared Spectroscopy (FTIR) studies indicated the presence of various vibrations and functional groups in WO₃ nanostructures, respectively. Specific surface area and pore size distribution were studied by using BET analysis. The calculated specific surface areas for WO₃ NPs, NRs and NSs are 12.98, 09.26 and 11.37 m²/g, respectively. Ultraviolet–Visible (UV–Vis) spectroscopy was utilized to study the optical characteristics. Thermogravimetric analysis (TGA) inferred that the synthesized nanostructures exhibited higher thermal stability. Strong interaction within the WO₃ network is accounted for their higher thermal stability till 800 °C. To analyse the electrochemical properties, cyclic voltammetry measurements were conducted. The antibacterial activity of WO₃ nanostructures was examined against S.aureus and E.coli strains. The anticancer activity of WO₃ nanostructures was investigated on human breast cancer cells. The production of reactive oxygen species (ROS) was responsible for the efficiency of WO₃ nanostructures towards toxic effect. Higher porous structure of WO₃ NPs offered more active sites and large specific surface area. This authenticated the better electrochemical, antibacterial and anticancer performance of WO₃ NPs, as compared to NRs and NSs.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115969"},"PeriodicalIF":2.1,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143858296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Marigold-like mesoporous CuO flowers: An efficient adsorbent for nitrate ion removal from aqueous solutions","authors":"Subhasini Dhorma Chenchu,&nbsp;Meenal Deo","doi":"10.1016/j.ssc.2025.115967","DOIUrl":"10.1016/j.ssc.2025.115967","url":null,"abstract":"<div><div>Global nitrate contamination, spurred by agricultural and industrial activities, poses severe risks to groundwater and human health. This study explores the potential use of mesoporous copper oxide (CuO) flowers as an efficient adsorbent for nitrate ion removal in water. The nitrate adsorption efficiency and capacity of CuO flowers were experimentally determined to be ∼83.5 ± 3.39 % and 156 mg/g for 50 mg/L of NO₃ nitrate ion concentration at neutral pH under dark conditions. The experimental data showed the best model fitting for Dubinin-Radushkevich adsorption isotherm and pseudo-first order kinetics, indicating a pore-filling and physisorption mechanism. The study shows that these mesoporous CuO flowers are promising material for effective nitrate removal in water treatment applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115967"},"PeriodicalIF":2.1,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143859405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Luminescence kinetic characterization of CeF3-YF3-TbF3 nanoparticles for lifetime temperature sensing","authors":"M.S. Pudovkin ,&nbsp;S.I. Kalinichenko ,&nbsp;A.S. Nizamutdinov","doi":"10.1016/j.ssc.2025.115942","DOIUrl":"10.1016/j.ssc.2025.115942","url":null,"abstract":"<div><div>The Ce_0.5Y_0.5-XTb_XF₃ (X = 0.001, 0.01, 0.05, 0.1, and 0.2) nanoparticles were synthesized via the co-precipitation method. The samples demonstrated average diameters around 20 nm and hexagonal phase corresponding to the CeF₃ matrix. Under 266 nm excitation (4f – 5d absorption band of Ce³⁺), all the samples showed bright green luminescence of Tb³⁺. In turn, the effective decay times (τ_eff) demonstrated the complicated temperature dependence in the 303–523 temperature range including rising and decaying parts. We suggested two hypotheses explaining such temperature dependence of τ_eff of Tb³⁺. The first one is related to the thermal expansion phenomenon when Tb³⁺ ions distance from each other with the temperature increase and the efficiency of the concentration quenching decreases. The second hypothesis suggests that the excitation of Tb³⁺ is performed through both Ce³⁺ ions or crystal lattice defects. In the case of defects, they “collect” the excitation energy and then populate Tb³⁺ ions. The efficiency of this population increases with the increase of temperature which leads to the increase of the lifetime of Tb³⁺. The decreasing part of the τ_eff function at higher temperatures was explained by the contribution of multi-phonon quenching of the luminescence. The studied Ce_0.5Y_0.5-XTb_XF₃ (X = 0.001, 0.01, 0.05, 0.1, and 0.2) samples showed competitive performances. Specifically, the maximal S_r values are in the 0.2–0.4 %/K range.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115942"},"PeriodicalIF":2.1,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143854514","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Spin-wave and random magnetic anisotropy studies in amorphous Tb1-xAux alloys","authors":"A. El Boubekri ,&nbsp;M. Sajieddine ,&nbsp;M. Lassri ,&nbsp;M. Sahlaoui ,&nbsp;A. Razouk ,&nbsp;H. Lassri","doi":"10.1016/j.ssc.2025.115965","DOIUrl":"10.1016/j.ssc.2025.115965","url":null,"abstract":"<div><div>The influence of gold (Au) on the magnetic properties of amorphous alloy Tb_1−xAu_x foils with compositions of <em>x</em> = 20, 25, 30 and 33 at.% is examined. Magnetic measurements were conducted over a temperature range of 4.2–250 K under an external applied field of 0.5 T. It was observed that the Curie temperature (<em>T</em>_<em>C</em>) decreases with the substitution of (Tb) by (Au). By applying Bloch's law to the analysis of the temperature dependence of magnetization, we successfully extracted several crucial parameters, such as the spin wave stiffness constant (<em>D</em>) and the exchange constant (<em>A</em>). The approach to saturation magnetization in the system was further explored, with the findings interpreted through the lens of the random magnetic anisotropy model. This insightful analysis enabled us to unveil several fundamental parameters. It was discovered that the local magnetic anisotropy constant <em>K</em>_<em>L</em> increases significantly, rising from 2.30 × 10⁷ erg/cm³ to a peak of a 9.1 × 10⁷ erg/cm³ as the <em>x</em> value increases from 0.20 to 0.30. However, for <em>x</em> = 0.33 we notice that <em>K</em>_<em>L</em> decreases, reaching 3.28 × 10⁷ erg/cm³.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"402 ","pages":"Article 115965"},"PeriodicalIF":2.1,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850698","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Leveraging molecular dynamics and machine learning to predict impact performance in polycrystalline magnesium alloys","authors":"Guoyao Chen ,&nbsp;Xuanyu Liu ,&nbsp;Yue Zhang ,&nbsp;Dan Lin ,&nbsp;Pingli Mao","doi":"10.1016/j.ssc.2025.115961","DOIUrl":"10.1016/j.ssc.2025.115961","url":null,"abstract":"<div><div>There is currently a lack of research on the effects of grain spatial orientation distribution and shape characteristics on the mechanical properties of nanocrystalline magnesium alloys. To provide a means of studying such problems, this paper employs molecular dynamics simulations to construct a dataset that incorporates the spatial distribution and orientation features of grains within the model. Using 12 different machine learning methods, In this study predict the material's high-velocity impact response and analyze the predictive performance of various machine learning algorithms on this dataset. Additionally, through feature selection and segmented training sets, In this study demonstrate the capability of machine learning methods to perceive grain characteristics such as spatial distribution in this dataset. This validates the feasibility and effectiveness of applying machine learning methods to study such data. Furthermore, In this study offer recommendations for employing machine learning techniques in conjunction with datasets that include grain spatial distribution and orientation characteristics. By analyzing molecular dynamics datasets, In this study also predict the high-velocity impact response of over a thousand magnesium alloy compositions, shedding light on the mechanical properties of magnesium alloys under high-velocity impact.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115961"},"PeriodicalIF":2.1,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143854515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Semiconducting transport properties of graphene doped by metal oxide","authors":"Chang-Soo Park ,&nbsp;Heetae Kim","doi":"10.1016/j.ssc.2025.115964","DOIUrl":"10.1016/j.ssc.2025.115964","url":null,"abstract":"<div><div>The band gap research in graphene remains a critical topic for materials applications. Here, we report a band gap opening and p-type semiconducting property of graphene achieved through electrochemical doping on its surface. Manganese-oxide nanoparticles adsorbed on the graphene are used as dopants in an electrolyte, inducing the band gap opening and altering the electronic structure. Additionally, the fabricated graphene FET exhibits p-type semiconductor behavior. The temperature-dependent conductivity of the p-type doped graphene, at an applied potential of 1.5 V during electrochemical doping, indicates the formation of a 0.23 eV band gap, as determined from fitting the conductivity equation. The semiconducting properties of manganese-oxide doped graphene are attributed to the formation of manganese-oxide nanoparticles on the graphene surface.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"402 ","pages":"Article 115964"},"PeriodicalIF":2.1,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143843123","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetization reversal dynamics of electrodeposited Ni1-xFex nanowires","authors":"Pinaki Laha ,&nbsp;Rabindra Nath Gayen ,&nbsp;P. Sabareesan","doi":"10.1016/j.ssc.2025.115954","DOIUrl":"10.1016/j.ssc.2025.115954","url":null,"abstract":"<div><div>We report on the magnetization reversal dynamics of Ni-rich Ni_1-xFe_x electrodeposited nanowires. Ordered arrays of Ni_1-xFe_x nanowires with varying Ni and Fe composition (in percentage) are synthesized using the pulsed electrochemical deposition method through porous track-etched polycarbonate templates. The shape and size of the nanowires are investigated by Scanning Electron Microscopy (SEM). X-ray diffraction (XRD) analysis shows the polycrystalline nature of the nanowires, having an average crystallite size of ∼6.9 nm. Structural characterization is carried out to establish the material and structural property by TEM, while the chemical composition is analyzed with Energy Dispersive X-ray analysis (EDX). Atomic Force Microscopy (AFM) and Magnetic Force Microscopy (MFM) are employed to investigate the topography and magnetic domain structures of these nanowires. The vibrating sample magnetometer (VSM) technique has been carried out to measure the magnetic hysteresis loops for the Ni_1-xFe_x nanowires with different compositions embedded in the template. The hysteresis loops measured with an external magnetic field applied parallel and perpendicular to the axis of the nanowires show a clear difference in the shape and the coercive field, indicating the effect of texture and iron content in these samples. Micromagnetic simulations (OOMMF) are performed to comprehend the experimental results and to make a correlation with the magnetization reversal mechanism in magnetic nanowires.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"402 ","pages":"Article 115954"},"PeriodicalIF":2.1,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850699","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Communicated by: FrancoisComprehensive DFT investigation of mechanical and electronic properties in Cs2AuMoX6 (X = Cl, Br) for advanced optoelectronic applications","authors":"Nimra Azeem ,&nbsp;M.W Iqbal ,&nbsp;Abhinav Kumar ,&nbsp;Subhash Chandra ,&nbsp;Ibad Ur Rehman ,&nbsp;Vijay Mishra ,&nbsp;Nermin A ,&nbsp;Ahmad A. Ifseisi ,&nbsp;Mohamed E. Assal","doi":"10.1016/j.ssc.2025.115946","DOIUrl":"10.1016/j.ssc.2025.115946","url":null,"abstract":"<div><div>This article investigated the mechanical, optoelectronic, and transport properties of the double perovskites Cs₂AuMoX₆ (X = Cl, Br) using density functional theory (DFT). We confirm that both Cs₂AuMoCl₆ and Cs₂AuMoBr₆ adopt a stable cubic crystal structure with slightly off unity tolerance factors (τ, 0.97 and 0.95). Negative formation and Gibbs free energies were used to validate their thermodynamic stability them for practical applications. Mechanical stability within a brittle nature and anisotropic behavior were observed in consideration of elastic properties. Electronic band structure calculations indicated Cs₂AuMoCl₆ has indirect band gaps of 1.4 eV while Cs₂AuMoBr₆ possesses 0.8 eV direct band gaps. Evaluation of these compounds suggests that these are appropriate band gaps for their application in photovoltaic and optoelectronics. The optical properties, including light absorption, polarization, and refractive index, exhibited strong absorption in the visible region, which renders these materials good candidates for photovoltaic applications. Calculations based on the BoltzTraP code predictions suggest modest thermoelectric figures of merit (ZT) of 0.73 and 0.72 for Cs₂AuMoCl₆ and Cs₂AuMoBr₆, respectively. These results demonstrate that Cs₂AuMoX₆ compounds may find applications in sustainable energy.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115946"},"PeriodicalIF":2.1,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}