Physica B-condensed Matter最新文献

{"title":"Theoretical studies on a 2D quasi discrete Ferromagnetic spin system with NNN interactions","authors":"L. Malkija ,&nbsp;M.M. Latha ,&nbsp;M.S. Mani Rajan","doi":"10.1016/j.physb.2024.416746","DOIUrl":"10.1016/j.physb.2024.416746","url":null,"abstract":"<div><div>We present a new Hamiltonian for a two dimensional Ferromagnetic system with nearest neighbour (NN) and next nearest neighbour (NNN) exchange interactions along with anisotropic interactions. The Dyson–Maleev transformation (DM) is used to bosonize the Hamiltonian. The method of multiple scales accompanying the quasi discreteness approach is attuned to arrive at the cubic nonlinear Schrödinger equation (CNLSE). The effect of NNN interactions on localized excitations in the system is theoretically investigated and analysed using Sine–Cosine, Inverse scattering methods. The respective wave patterns are presented and studied.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416746"},"PeriodicalIF":2.8,"publicationDate":"2024-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Electrochemical properties of silver nanoparticles decorated aminosilicate functionalized TiO2 nanocomposite in hydrazine sensing","authors":"Chinnappan Pandiyarajan ,&nbsp;Norazriena Yusoff ,&nbsp;Asiful Hossain Seikh ,&nbsp;Perumal Rameshkumar ,&nbsp;Mohammad Rezaul Karim ,&nbsp;Sepperumal Murugesan ,&nbsp;Karmegam Dhanabalan ,&nbsp;Tae Hwan Oh","doi":"10.1016/j.physb.2024.416818","DOIUrl":"10.1016/j.physb.2024.416818","url":null,"abstract":"<div><div>An electrochemical hydrazine sensor was constructed using a glassy carbon electrode (GCE) customized with a silver-decorated aminosilicate functionalized TiO₂ nanocomposite ((Ag/f-TiO₂)_NCM). Nanoporous TiO₂ spheres were prepared and functionalized with aminosilicate (APS), serving as the catalyst support. Silver nanoparticles (Ag_NPs) were then deposited onto the functionalized TiO₂ (f-TiO₂) using a chemical reduction method. The modified sensing electrode ((Ag/f-TiO₂)_NCM) demonstrated superior hydrazine detection capabilities, with a lower limit of detection (LoD) of 0.26 μM and a sensitivity of 1.297 μA μM⁻¹ cm⁻². Additionally, the selectivity of (Ag/f-TiO₂)_NCM for hydrazine was investigated, showing high selectivity over several potential interferents, including Li⁺, Na⁺, K⁺, Cl⁻, Mg²⁺, NH₄⁺, Ca²⁺, and NO₃⁻. The strong metal-support interaction between Ag and TiO₂ was thought to modify the electronic properties, thereby enhancing the catalytic activity through efficient charge transfer and improving the stability of the catalysts. This sensing strategy paves the way for the sensitive detection of hydrazine in spiked water samples.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416818"},"PeriodicalIF":2.8,"publicationDate":"2024-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Maximization of electrochemical sensing and photocatalytic activity using nickel oxide embedded Bi2WO6 heterostructure","authors":"M. Malathi ,&nbsp;Sateesh Kumar Vavilala ,&nbsp;T. Sangeetha ,&nbsp;K.S. Balamurugan","doi":"10.1016/j.physb.2024.416822","DOIUrl":"10.1016/j.physb.2024.416822","url":null,"abstract":"<div><div>The current investigation involved the synthesis of a composite material consisting of NiO and Bi₂WO₆ using a hydrothermal technique. The purpose was to assess the photocatalytic degradation and electrochemical sensing capabilities of the composite. The photocatalytic capability of all synthesized specimens was evaluated on the removal of acid orange with UV–Vis illumination for 150 min. Among the catalysts, the Bi₂WO₆-NiO composite catalyst demonstrated exceptional efficiency in photocatalytic degradation, achieving a degradation percentage of 93.98 %. This performance surpassed that of the individual Bi₂WO₆ and NiO catalysts. Furthermore, recycling and trapping tests were performed to test the stability and reactive radicals responsible for the fragmentation of dye molecules. Based on the findings, we observed that the catalysts exhibited excellent stability across eight consecutive cycles. In addition, the detection of uric acid and dopamine employing synthesized catalysts was carried out, revealing that the Bi₂WO₆/NiO composite exhibited excellent sensing capabilities.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416822"},"PeriodicalIF":2.8,"publicationDate":"2024-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"High harmonic generation in graphene quantum dots with vacancy defects","authors":"Suresh Gnawali,&nbsp;Vadym Apalkov","doi":"10.1016/j.physb.2024.416793","DOIUrl":"10.1016/j.physb.2024.416793","url":null,"abstract":"<div><div>We study theoretically the generation of high-order harmonics in hexagonal and triangular graphene quantum dots (QDs) with vacancy defects in the field of an optical pulse. For intrinsic QDs, some high-order harmonics are suppressed due to symmetry of the systems. Then, the main effect of vacancies is the breaking of the QD’s symmetry and the enhancement of the corresponding harmonics. For a hexagonal QD, for an intrinsic case, even-order harmonics are suppressed for a linearly and circularly polarized pulses, while <span><math><mrow><mn>3</mn><mi>m</mi></mrow></math></span>-order (<span><math><mi>m</mi></math></span> is an integer) harmonics are also suppressed for a circularly polarized pulse, with a monovacancy, all high-order harmonics are strongly enhanced. Suppression and enhancement of high-order harmonics for triangular QDs with armchair edges is similar to the case of hexagonal QDs. For triangular QDs with zigzag edges, all high-order harmonics are visible in the intrinsic case, while the presence of a monovacancy enhances the intensities of all harmonics.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416793"},"PeriodicalIF":2.8,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 the packing factor variation on electro-optical properties of quantum dot clusters","authors":"W. Guttierrez ,&nbsp;L.F. García Russi ,&nbsp;I.D. Mikhailov ,&nbsp;José Sierra Ortega","doi":"10.1016/j.physb.2024.416814","DOIUrl":"10.1016/j.physb.2024.416814","url":null,"abstract":"<div><div>To examine how the packing factor affects the electro-optical properties of semiconductor quantum dots (QDs) assembled in cyclic clusters, we consider a simplified model with a 2D Muffin-tin-type confinement potential, related to the morphology of the nanostructure. Spectral properties of coupled QDs become essentially sensitive to the presence of an external electric field with an increase of the packing factor due to delocalization of the electronic states. This circumstance can be utilized to develop new technologies in terahertz spectroscopy and optoelectronic technology. Particularly, the non-linear Stark effect can be employed for analyzing the quantum dots cluster (QDC) geometry and for the detection of the presence of impurities. To examine such a possibility, we solve one-electron wave equations for some clusters with a configuration like cyclic molecules, using the finite element method. We present novel results that show the dependence of the energy spectra, the density of electronic states and the dipole moment, induced by the electric field, on the packing factor in the cluster. Our results show various experimental possibilities for applications of the non-linear Stark effect for analyzing both the cluster's geometry and the detection of possible presence of donors in them. The ability to join dots into sets with a desirable configuration will create many opportunities for scientific discovery in the future.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416814"},"PeriodicalIF":2.8,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095737","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Comprehensive analysis of the structural, electronic, elastic and optical properties of ternary chalcogenides pnictogens InPnCh3 (Pn = Bi, Sb; Ch = S, Se) compounds: First-Principles calculations","authors":"A. Benarroudj ,&nbsp;M. Bouchenafa ,&nbsp;O. Arbouche ,&nbsp;S. Maabed ,&nbsp;H. Hanifi ,&nbsp;Y. Bourourou ,&nbsp;L. Bentabet","doi":"10.1016/j.physb.2024.416802","DOIUrl":"10.1016/j.physb.2024.416802","url":null,"abstract":"<div><div>This study employs density functional theory to investigate the structural, electronic, elastic, and optical properties of InPnCh₃ chalcogenides (Pn = Sb, Bi; Ch = S, Se). These materials consist of elements that are abundant on Earth, non-toxic, and hold promise for applications in optoelectronics and energy conversion. All calculations are performed following optimization of calculation parameters and geometry using the <em>Pnma</em> (62) space group. Additionally, this study predicts the properties of InBiSe₃, which has not yet been synthesized. Band structure and density of states (DOS) analyses reveal that these materials exhibit indirect band gaps. Among them, InSbSe₃ exhibits the smallest band gap energy of 1.66 eV, while InBiS₃ demonstrates the largest at 2.45 eV (HSE06). The anisotropic nature of these materials is reflected in their directional-dependent properties, with the highest elastic moduli values along the y-axis (Young's modulus <em>E</em> = 87 GPa for InBiS₃). Furthermore, the optical properties of these chalcogenides, including absorption α(ω), dielectric function <span><math><mrow><mi>ε</mi><mrow><mo>(</mo><mi>ω</mi><mo>)</mo></mrow><mo>=</mo><msub><mi>ε</mi><mn>1</mn></msub><mrow><mo>(</mo><mi>ω</mi><mo>)</mo></mrow><mo>+</mo><msub><mi>ε</mi><mn>2</mn></msub><mrow><mo>(</mo><mi>ω</mi><mo>)</mo></mrow></mrow></math></span>, refractive index <span><math><mrow><mi>n</mi><mrow><mo>(</mo><mi>ω</mi><mo>)</mo></mrow></mrow></math></span>, and loss function <span><math><mrow><mi>L</mi><mrow><mo>(</mo><mi>ω</mi><mo>)</mo></mrow></mrow></math></span>, are investigated. The results indicate that these materials are efficient absorbers of visible radiation, with an absorption coefficient <span><math><mrow><mi>α</mi><mrow><mo>(</mo><mi>ω</mi><mo>)</mo></mrow></mrow></math></span> ≈ 95000 cm⁻¹ at 2.75 eV (450 nm) for InBiSe₃.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416802"},"PeriodicalIF":2.8,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"First-principles study of thermal conductivity of welded interface elements based on Mo interlayer SPS","authors":"Xiaoqi Jian ,&nbsp;Daochun Hu ,&nbsp;Lei Wang ,&nbsp;Yanqing Li ,&nbsp;Lili Zhi","doi":"10.1016/j.physb.2024.416813","DOIUrl":"10.1016/j.physb.2024.416813","url":null,"abstract":"<div><div>An Mo interlayer can effectively enhance the thermal conductivity of diamond-copper composite SPS diffusion welding interface. But the detailed microscopic mechanism underlying this enhancement remains unexplored. This study establishes potential interface models based on the elemental composition at the SPS diffusion welding interface and investigates the impact of the Mo interlayer on thermal conductivity. The analysis, grounded in first-principles calculations, examines interfacial spacing, work of adhesion, electronic state density, and phonon state density. Findings indicate that the formation of Mo₂C at the interface improves bonding, ameliorates the mismatch in phonon vibration frequencies between diamond and Cu, and thereby increases the interface's thermal conductivity. At the weld interface, the 2s and 2p orbitals of C in Mo₂ C exhibit new hybridization peaks distinct from those of C in diamond, while the 4p orbitals of Mo resonate with these new peaks. This results in strong bonding cooperation between Mo and the carbon in diamond, enhancing interfacial bonding strength. This enhanced bonding provides theoretical guidance for achieving high thermal conductivity in SPS diffusion welded interfaces.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416813"},"PeriodicalIF":2.8,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Enhancement of the structural, optical, and optoelectrical properties of nebulizer spray pyrolyzed SnO2 thin films by strontium doping","authors":"Abdullah Alsulami ,&nbsp;Ali Alsalme","doi":"10.1016/j.physb.2024.416783","DOIUrl":"10.1016/j.physb.2024.416783","url":null,"abstract":"<div><div>This work presents the fabrication of SnO₂ and Sr-doped SnO₂ thin films by spray pyrolysis at various Sr ratios. The influence of Sr doping on the structure, optical, and optoelectrical characterizations has been investigated. The XRD investigations confirmed that the Sr-doped SnO₂ layers exposed orthorhombic structures. The structural results illustrate that the growth in Sr content to 2.5 % w.t enhances the crystallite size and reduces the values of <span><math><mrow><msub><mi>ε</mi><mi>s</mi></msub></mrow></math></span>, <em>N</em>_<em>C,</em> and <span><math><mrow><mi>δ</mi></mrow></math></span> of the pure and Sr: SnO₂ layers. Furthermore, the boost of the Sr content to 5 % w.t and 7.5 % w.t enhances the values of <em>ε</em>_<em>s</em>, <em>N</em>_<em>C</em>, and <em>δ</em> of the pure and Sr: SnO₂ layers and reduces the crystallite size. The optical analysis of these layers displays an enhancement in the refractive index values from 2.37 to 4.81, Urbach energy from 0.138 to 0.176 eV, and dispersion energy values from 12.48 to 15.66 eV by enlarging the Sr concentration. The energy gap results of the inspected films showed that boosting the Sr concentration reduces the <em>E</em>_<em>g</em> values from 3.78 to 3.04 eV. Furthermore, the optoelectrical parameters of the Sr-doped SnO₂ samples, like the optical mobility, plasms frequency, optical dielectric indices, optical carrier concentration, and optical resistivity, were boosted by enlarging the Sr concentration. Furthermore, increasing the Sr content in these films increases the nonlinear refractive index and the nonlinear susceptibility of the pure and Sr: SnO₂ layers.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416783"},"PeriodicalIF":2.8,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Efficiency enhancement in dye-sensitized solar cells through neodymium-doped graphene quantum dot-modified TiO₂ photoanodes","authors":"G.K.R. Senadeera ,&nbsp;W.M.S.K. Weerasekara ,&nbsp;T. Jaseetharan ,&nbsp;P.U. Sandunika ,&nbsp;J.M.K.W. Kumari ,&nbsp;M.A.K.L. Dissanayake ,&nbsp;Mohammad Muhiuddin ,&nbsp;Mohammad Rizwan Rahman ,&nbsp;Udaya Bhat K ,&nbsp;Mohammad Waseem Akhtar ,&nbsp;Udaya Kumar ,&nbsp;A.B. Siddique ,&nbsp;Piyasiri Ekanayake","doi":"10.1016/j.physb.2024.416797","DOIUrl":"10.1016/j.physb.2024.416797","url":null,"abstract":"<div><div>This study explored the effects of Neodymium-doped graphene quantum dots (NdGQDs) on improving the performance efficiency of TiO₂ based dye-sensitized solar cells (DSSCs). By employing in-situ physical assisted mixing, DSSCs with optimized NdGQDs in TiO₂ photoanodes showed a power conversion efficiency of 8.76 %, a significant improvement compared to the 6.01 % efficiency of pristine TiO₂-based DSSCs under 100 mW cm⁻² illumination (AM 1.5). Notably, the short-circuit current density increased by 74 %. HRTEM analysis revealed that the NdGQDs have a size range of approximately 7–9 nm. UV–visible spectroscopy and Mott-Schottky analysis revealed a positive shift in the Fermi level, promoting better electron transfer and increased photocurrent density at the expenses of the open circuit voltage. Electrochemical impedance spectroscopy characterization of DSSCs incorporating NdGQD-modified photoanodes revealed a reduction in electron transfer resistance at the photoanode|dye|electrolyte interface, accompanied by an increase in recombination resistance within the device suppressing the electron recombination rate.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416797"},"PeriodicalIF":2.8,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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":"Molybdenum disulfide nanosheets hybridized with lysine molecules for highly efficient near-infrared photothermal energy conversion","authors":"Ivan E. Ushakov ,&nbsp;Alexander S. Goloveshkin ,&nbsp;Natalia D. Lenenko ,&nbsp;Valeria N. Talanova ,&nbsp;Mikhail I. Buzin ,&nbsp;Mariam G. Ezernitskaya ,&nbsp;Vladimir I. Zaikovskii ,&nbsp;Alexander V. Naumkin ,&nbsp;Alexandre S. Golub","doi":"10.1016/j.physb.2024.416812","DOIUrl":"10.1016/j.physb.2024.416812","url":null,"abstract":"<div><div>The paper reports a facile way for noncovalent functionalization of 1T-MoS₂ with L-lysine (Lys) monolayers. The structure of the resultant hybrid compound was revealed by the powder X-ray diffraction (PXRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), differential scanning calorimetry (DSC), Fourier transform infrared (FTIR) spectroscopy, absorption spectroscopy and density functional theory (DFT) calculations study. A significant strength of the in-layer organic and organic-inorganic hydrogen bonding amounting to 24.6 and 29.9 kcal per mole of Lys, respectively, was found to hold the hydrated Lys molecules arranged in 2D chains and keep these chains tightly bound to the MoS₂ sheets. The MoS₂ hybridization with Lys significantly rises the upper temperature stability limit of 1T-MoS₂ polymorph, which possesses the remarkable photothermal properties in near infra-red (NIR) region. The hybrid structure demonstrates excellent photothermal light-to-heat conversion efficiency reaching 49.5 % upon 808 nm laser irradiation and higher thermal durability than unmodified 1T-MoS₂.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"699 ","pages":"Article 416812"},"PeriodicalIF":2.8,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}