Solid State Communications最新文献

{"title":"Enhanced red light detection in eco- friendly perovskite-based photodetector with improved low- light sensitivity","authors":"Richa Srivastava,&nbsp;Sudhanshu Verma,&nbsp;Akhilesh Kumar Chaudhary,&nbsp;Anupam Sahu","doi":"10.1016/j.ssc.2025.115983","DOIUrl":"10.1016/j.ssc.2025.115983","url":null,"abstract":"<div><div>The design of a high-performance photodetector using a combination of Tin oxide (SnO₂) as the electron transport layer, zinc phosphide (Zn₃P₂) as the hole transport layer, and methylammonium tin bromide (CH₃NH₃SnBr₃) as the absorber layer has been proposed in this work. The perovskite absorber layer exhibits strong light-harvesting capability, particularly under low-intensity illumination, ensuring enhanced photon absorption and improved charge carrier generation efficiency, thereby facilitating superior photocurrent production in dim-light conditions. The photodetector exhibits excellent performance within the 610–690 nm wavelength range, achieving a responsivity of 0.48 A/W under light and a maximum detectivity of 8.5 × 10¹⁴ Jones, highlighting its exceptional sensitivity to red light. The quantum efficiency (QE) exceeds 95 % in the visible range. The optimization of the proposed design is conducted using SCAPS-1D software, enhancing the device's overall performance. The results indicate that the strategic selection of materials, optimization of layer thicknesses, and reduction of defects are crucial for enhancing the optoelectronic performance of photodetectors.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115983"},"PeriodicalIF":2.1,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900287","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":"Impact of Ca2+ substitution on the dielectric and ferroelectric behavior of BaTi0.95Sn0.05O3: A study of electron density distribution","authors":"Subramanian Sasikumar ,&nbsp;Jeganathan Mangaiyarkkarasi ,&nbsp;Dhanushkodi Sivaganesh ,&nbsp;Subramanian Saravanakumar","doi":"10.1016/j.ssc.2025.115981","DOIUrl":"10.1016/j.ssc.2025.115981","url":null,"abstract":"<div><div>In this study, lead-free Ba_1-<em>x</em>Ca_<em>x</em>Ti_0.95Sn_0.05O₃ (<em>x</em> = 0.0, 0.05, 0.10, 0.15, and 0.20) ceramics were prepared using the conventional solid-state sintering route. The effects of Ca²⁺ doping at the A-site on the structural, dielectric, ferroelectric, and electrostrain properties were investigated. XRD, Rietveld refinement, and Raman spectra results revealed the coexistence of orthorhombic (<em>O</em>) and tetragonal (<em>T</em>) phases within the composition range of 0.0 ≤ <em>x</em> ≤ 0.10. The covalent bond between Ti and O atoms was confirmed through charge density analysis using refined structure factors. The Curie temperature (<em>T</em>_C) showed an increasing trend from 71.1 °C to 91.5 °C with the addition of Ca²⁺ content. The best electrical properties were observed at <em>x</em> = 0.05, with values of <em>P</em>_m ⁓ 16.56 μC/cm², <em>P</em>_r ⁓ 10.78 μC/cm², <em>E</em>_C ⁓ 3.02 kV/cm, <em>S</em>_max = 0.096 %, and <em>d</em>₃₃∗ = 355 p.m./V. The compositions exhibited improved ferroelectric and electrostrain properties for <em>x</em> ranging from 0.0 to 0.05, making them promising candidates for lead-free piezoelectric ceramics.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115981"},"PeriodicalIF":2.1,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904001","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":"Influence of Mn doping on magneto-thermoelectric properties of spintronic material ZnMnxSn1-xAs2","authors":"Anuj Kumar ,&nbsp;Navneet Singh ,&nbsp;Aman Kumar ,&nbsp;Anjeli Garg ,&nbsp;Sandeep Kumar Pundir ,&nbsp;Nempal Singh","doi":"10.1016/j.ssc.2025.115971","DOIUrl":"10.1016/j.ssc.2025.115971","url":null,"abstract":"<div><div>In present investigation a comprehensive spin-polarized density functional theory (DFT) analysis of Mn-doped ZnSnAs₂ chalcopyrite carried out by utilizing the Full-Potential Linearized Augmented Plane Wave (FP-LAPW) method with Tran-Blaha’s modified Becke-Johnson (TB-mBJ) functional. Electronic, magnetic, and thermoelectric properties of doped ZnMn<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span>Sn<span><math><msub><mrow></mrow><mrow><mrow><mo>(</mo><mn>1</mn><mo>−</mo><mi>x</mi><mo>)</mo></mrow></mrow></msub></math></span>As<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> investigated within the doping range <span><math><mrow><mn>0</mn><mo>≤</mo><mi>x</mi><mo>≤</mo><mn>0</mn><mo>.</mo><mn>5</mn></mrow></math></span>. Mn doping at Sn site induces a significant spin magnetic moment, leading to a half-metallic and high-spin ferromagnetic state. With increasing Mn concentration, the majority spin state retains bandgap while the minority spin state behaves like a degenerate semiconductor. This results an overall increase in magnetic moment and making the material promising for spintronic applications. This study also explores thermoelectric properties using Boltzmann transport theory within the constant scattering time approximation. The key thermoelectric parameters, including the Seebeck coefficient (S), electrical conductivity (<span><math><mi>σ</mi></math></span>), and electronic thermal conductivity (<span><math><mi>κ</mi></math></span>) were evaluated as functions of temperature and doping concentrations. Mn doping enhances the thermoelectric performance and we get highest Figure of merit (ZT) nearly 1.2 at 500 K for higher Mn concentrations. Spin-dependent contributions play a crucial role, minority-spin state exhibiting higher specific heat (<span><math><msub><mrow><mtext>C</mtext></mrow><mrow><mi>v</mi></mrow></msub></math></span>) and power factor (PF) values as compared with majority-spin states. These findings suggest that Mn doping not only boosts the spintronic application of Mn doped ZnSnAs₂ but also enhances thermoelectric efficiency of the materials and may be utilized for energy conversion applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115971"},"PeriodicalIF":2.1,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143894807","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":"Single-walled and multi-walled boron nanotubes: Novel DFTB parameterization and electrical conductivity calculations","authors":"Dmitry A. Kolosov ,&nbsp;Olga E. Glukhova","doi":"10.1016/j.ssc.2025.115984","DOIUrl":"10.1016/j.ssc.2025.115984","url":null,"abstract":"<div><div>In this work, was developed a novel SCC DFTB Slater-Koster parameter set for boron atoms. The developed set provides high-precision calculation of the metric parameters of the atomic lattice of the 1D and 2D configuration of borophene. Taking into account the interatomic bonds and the lengths of the translation vectors for the three considered types of crystal lattice, the average error relative to DFT method is no more than 1.69 %, which is 10.7 times less than the error when using the matsci set. Applying the developed parameterization, new results were obtained: a) it was revealed a pattern of changes in the interlayer bond energy: with an increase in the number of layers in the tube, the bond energy increases in absolute value; b) it was found that with an increase in the diameter of a single-layer BNT, its electrical conductivity increases significantly: for a zigzag-type nanotube with a diameter of 64.1 Å, twisted from β12 borophene, the resistance value is 164.2 Ohm. The electrical conductivity of a boron nanotube is approximately 26 times higher than the conductivity of a carbon nanotube of the same diameter.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115984"},"PeriodicalIF":2.1,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900285","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":"Bimetallic CoNi subnanoclusters supported on N-doped graphene as novel CO sensors with improved sensitivity","authors":"D.C. Navarro-Ibarra ,&nbsp;F. Montejo-Alvaro ,&nbsp;R. Román-Doval ,&nbsp;F. Aguilera-Granja ,&nbsp;A.Y. Tenorio-Barajas ,&nbsp;H. Cruz-Martínez","doi":"10.1016/j.ssc.2025.115982","DOIUrl":"10.1016/j.ssc.2025.115982","url":null,"abstract":"<div><div>In this work, composites formed by Co₆_-_nNi_n (n = 0–6) subnanoclusters supported on N-doped graphene (PNG) were theoretically studied as novel CO gas sensors. Firstly, the stabilities of Co₆_-_nNi_n (n = 0–6) subnanoclusters deposited on PNG were investigated. Then, reactivities of Co₆_-_nNi_n (n = 0–6)/PNG composites towards the CO detection were investigated. All electronic structure calculations were conducted using the generalized gradient approximation density functional theory. The computed binding energies (E_b) for Co₆_-_nNi_n (n = 0–6) on the PNG were higher than pristine graphene, suggesting a good stability of the subnanoclusters over PNG. The adsorption energies (E_ads) of the CO molecule on the Co₆_-_nNi_n (n = 0–6)/PNG composites were higher than −1.5 eV, indicating a strong interaction between the CO molecule and the Co₆_-_nNi_n (n = 0–6)/PNG composites. These results suggest that the composites studied may be good candidates for CO detection.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115982"},"PeriodicalIF":2.1,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900286","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":"Revisiting the physical properties of (LaS)1+δ(NbS2) misfit-layered compounds","authors":"Masanori Nagao ,&nbsp;Dan Mouri ,&nbsp;Yuki Maruyama ,&nbsp;Akira Miura ,&nbsp;Yoshihiko Takano ,&nbsp;Satoshi Watauchi","doi":"10.1016/j.ssc.2025.115980","DOIUrl":"10.1016/j.ssc.2025.115980","url":null,"abstract":"<div><div>Electrical transport in polycrystalline and single-crystalline (LaS)_{1+<em>δ</em>}(NbS₂) misfit-layered compounds was measured. Polycrystalline samples were synthesized using S raw materials of different purities (2N or 6N), and single-crystalline samples were grown using two types of transport agents (2NH₄Cl + PbCl₂ or NH₄Cl) via the chemical vapor transport method. The temperature dependence on resistivity dropped at ∼1.3–2.0 K for some of the samples, which might be affected by the unknown impurity. (LaS)_{1+<em>δ</em>}(NbS₂) misfit-layered compounds for the main phase of those obtained samples exhibited no superconductivity above 0.2 K by the resistivity measurement.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115980"},"PeriodicalIF":2.1,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143886167","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":"Effects of dopant interlayer distance, magnetic field and electric field on nonlinear optical rectification, second and third harmonic generation in double δ-doped quantum wells","authors":"Eddy Rabanales-Marquez ,&nbsp;Humberto Noverola-Gamas ,&nbsp;Outmane Oubram ,&nbsp;Luis Manuel Gaggero-Sager","doi":"10.1016/j.ssc.2025.115951","DOIUrl":"10.1016/j.ssc.2025.115951","url":null,"abstract":"<div><div>The influence of the variation in separation between the doped layers on key optical properties, such as the nonlinear rectification coefficient (NOR), the second harmonic generation coefficient (SHG), and the third harmonic generation coefficient (THG), has been investigated. A symmetric double V-shaped potential model was utilized, where an external electric field was applied to break the symmetry and enhance the second-order susceptibility. In this context, the analysis of the combined effects of both electric and magnetic fields on these nonlinear optical properties is included. This study focuses on a double delta-doped quantum well structure (DDDQW), composed of <span><math><mi>n</mi></math></span>-type GaAs, with identical doping densities in both dopant layers. The electronic structure of the system was derived using the finite-difference method employing the Thomas–Fermi, effective mass, and parabolic band approximations. Our results reveal that altering the distance between dopant layers and varying the external electric and magnetic fields modifies both the position and magnitude of the maximum peaks of the NOR, SHG, and THG coefficients. These findings have implications for the optoelectronics industry, contributing to the design and development of materials and devices capable of advanced light manipulation and detection within specific frequency ranges in the terahertz domain.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"403 ","pages":"Article 115951"},"PeriodicalIF":2.1,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143894806","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":"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}