Physica E-low-dimensional Systems & Nanostructures最新文献

{"title":"Quantum discord in zigzag graphene nanoribbons","authors":"Xiao-Dong Tan ,&nbsp;Ya Feng Song ,&nbsp;Yu Shi ,&nbsp;Ru Hou","doi":"10.1016/j.physe.2024.116075","DOIUrl":"10.1016/j.physe.2024.116075","url":null,"abstract":"<div><p>Based on Hubbard model with the Hartree-Fock approximation, we study the properties of quantum discord (QD) between the nearest-neighbor sites <em>A</em> and <em>B</em> in zigzag graphene nanoribbons thermalized with a reservoir at temperature <em>T</em>. Several influences of the site position, on-site Coulomb repulsion <em>U</em>, temperature, and ribbon width on QD are discussed in detail. The results show that QD is robust against thermal fluctuations, and QD for the leg pairs along the zigzag chain near ribbon edges is always larger than that for the rung pairs linking two adjacent zigzag chains. QD for the rung pairs increases and then approaches to saturation as the ribbon width increases, where the velocity of saturation is strongly correlated to <em>U</em>. Moreover, for rung pairs the values of <em>U</em> at the QD peaks perform the scaling behaviors with increasing ribbon width.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116075"},"PeriodicalIF":2.9,"publicationDate":"2024-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142084092","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":"Study on the modulation of luminescence peak position and luminescence mechanism of black phosphorus","authors":"J.R. Chen,&nbsp;M.J. Peng,&nbsp;C. Chen,&nbsp;Y. Zhang,&nbsp;D.S. Ren","doi":"10.1016/j.physe.2024.116078","DOIUrl":"10.1016/j.physe.2024.116078","url":null,"abstract":"<div><p>The application of black phosphorus in optoelectronic devices is hindered because of its inherent band gap characteristics. In the paper, black phosphorus was prepared by high-energy ball milling, and its related structure and properties were characterized. At the same time, the luminescence mechanism of black phosphorus was explored, and the effect of ultrasonic time on the structure and optical properties of black phosphorus was studied. The luminescence peak of black phosphorus can be modulated to the visible light range after adding polyethylene glycol, and the luminescence of black phosphorus is closely related to the P (020) and P (021). It was found that the luminescence intensity of alcoholized black phosphorus decreases with the increase of ultrasonic time. When the ultrasonic time is 15min, the luminescence intensity of alcoholized black phosphorus decreases greatly, this is because that the content of P (020) in black phosphorus decreases with the increase of ultrasonic time, resulting in the decrease of luminescence intensity.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116078"},"PeriodicalIF":2.9,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141997513","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":"Piezoelectricity of Janus group-III monochalcogenide monolayers, multilayers and their vdW heterostructures: Insight from first-principles calculations","authors":"Kai Cheng ,&nbsp;Jinke Xu ,&nbsp;Peng Wu ,&nbsp;Xu Guo ,&nbsp;Sandong Guo ,&nbsp;Yan Su","doi":"10.1016/j.physe.2024.116072","DOIUrl":"10.1016/j.physe.2024.116072","url":null,"abstract":"<div><p>Using first-principles calculations, we have explored the piezoelectric properties of Janus multilayers and vdW heterostructures based on Janus group-III monochalcogenides. Our calculation results show that all the in-plane and out-of-plane piezoelectricity exists in Janus group-III monochalcogenide multilayers with the atomic radii difference and within intra-layer dipole moments affecting the <em>e</em>₃₃/<em>d</em>₃₃ value. For the vdW heterostructures, the <em>e</em>₃₃ depends on the stacking configuration and increases with the decreasing interlayer distance. Furthermore, the piezoelectric effect properties of the vdW heterostructures are independent of the biaxial strain. Our understanding of how the layer number and vdW integration affect the piezoelectric effect in 2D materials provides theoretical guidance for the experimental application of 2D Janus monolayer and their vdW heterostructures and will also contribute to the development of robust electrical-mechanical-coupled systems with large power densities and energy harvesting capabilities.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116072"},"PeriodicalIF":2.9,"publicationDate":"2024-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142007011","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":"Force-field modeling of single-chirality-angle multi-walled WS2 nanotubes","authors":"Sergey I. Lukyanov,&nbsp;Andrei V. Bandura,&nbsp;Dmitry D. Kuruch,&nbsp;Robert A. Evarestov","doi":"10.1016/j.physe.2024.116066","DOIUrl":"10.1016/j.physe.2024.116066","url":null,"abstract":"<div><p>The experimentally observed dependencies of the average interwall distances on the number of walls and diameters of multi-walled WS₂ nanotubes were reproduced in molecular mechanics simulations based on a recently developed force field. A common chiral angle was used for all walls inside each nanotube to ensure its one-dimensional periodicity. The data obtained make it possible to determine the nature of changes in the diameters of single-wall components inside the nanotube and variations in the distances between the walls in its inner, middle and outer parts. The stability of multi-walled nanotubes with respect to WS₂ nanolayers and free single-wall components was evaluated.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116066"},"PeriodicalIF":2.9,"publicationDate":"2024-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142011851","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":"Optimization of electron transmission on a 1D lattice","authors":"Walter Unglaub ,&nbsp;A.F.J. Levi","doi":"10.1016/j.physe.2024.116067","DOIUrl":"10.1016/j.physe.2024.116067","url":null,"abstract":"<div><p>Finding optimal multi-layer heterostructure configurations that result in desired current–voltage characteristics requires physical control of electron scattering processes. It is shown how a one-dimensional tight-binding Hamiltonian combined with the adjoint method may be employed to explore this non-convex and non-intuitive design space. Such optimal parameter exploration has application to study of vertical electron transport through van der Waals stacked few-layer quantum materials and nano-scale single-crystal semiconductor heterostructures.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116067"},"PeriodicalIF":2.9,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1386947724001711/pdfft?md5=e6d2d5569519b9b1e1c3ffdfee25c5af&pid=1-s2.0-S1386947724001711-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142002023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CSRR and EBG loaded wideband THz dielectric resonator MIMO antenna for nano communication and bio-sensing applications","authors":"Gaurav Saxena ,&nbsp;Y.K. Awasthi ,&nbsp;Shipra Srivastava ,&nbsp;T.M. Yunus Khan ,&nbsp;Naif Almakayeel ,&nbsp;Himanshu Singh","doi":"10.1016/j.physe.2024.116068","DOIUrl":"10.1016/j.physe.2024.116068","url":null,"abstract":"<div><p>In this paper, a wideband Graphene-inspired dielectric resonator THz MIMO antenna is designed. The antenna has dimensions of 56 × 56 × 3.6 μm³ and is designed on a Rogers RO3035 substrate with a relative permittivity of 3.6 and loss tangent of 0.0015. This antenna works in the range of 6.0 THz-12.5 THz (70.76 %) with a peak gain of 7.68 dBi and radiation efficiency (&gt;70 %) is suitable for use in medical imaging and THz wireless near-field applications. A CSRR is loaded to obtain band notch characteristic for avoiding interference between nearby wireless devices in the range of 10.6–10.8 THz. EBG was also introduced with a patch antenna to reduce surface wave loss and improve isolation, resulting in a high front-to-back ratio (FBR) in the range of 10–12.5 THz. Without the graphene disk, the silicon-based DRA did not achieve significant gain. At a chemical potential of 0.5 eV and a relaxation time of 0.1 ps, the proposed DRA demonstrated good antenna properties. By varying the chemical potential and relaxation time, frequency agility was easily achieved. A Graphene disk having a height of 3 μm is placed on a Silicon (ε_r = 11.1) based cylindrical DRA to provide high gain and improve the impedance bandwidth, achieving wide bandwidth from 6.0 THz to 12.5 THz. The proposed two element antenna performance is evaluated by parameters such as gain, return loss, isolation between two antenna elements, and diversity parameters like Envelope correlation coefficient ECC&lt;0.1, Directive Gain &gt;9.5 dB, Total Active reflection Coefficient &gt;10 dB and Avg. Channel capacity loss &lt;0.35bps/Hz so that the proposed antenna is suitable for wideband nano/optical communication in IoT-6G. Furthermore, the antenna is suitable for biological sensing applications due to its average sensitivity and FOM for hemoglobin and urine of 805.33GHz/RIU and 805.55GHz/RIU, respectively, and 3.37 and 10.55.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116068"},"PeriodicalIF":2.9,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141990603","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 inverted structure perovskite solar cell by CZTS nanoparticles","authors":"Aijie Ma ,&nbsp;Vicky Jain ,&nbsp;Ekaterina Diakina ,&nbsp;Adil Ismael Mohammed ,&nbsp;Halijah Hassan ,&nbsp;Heba Taha M. Abdelghani ,&nbsp;Xiaolin yang","doi":"10.1016/j.physe.2024.116069","DOIUrl":"10.1016/j.physe.2024.116069","url":null,"abstract":"<div><p>Inverted structure perovskite solar cells have attracted much attention in recent years due to their reliable operational stability, low residual, and low-temperature fabrication process. In the past few years, to accelerate their commercialization, the focus of research on the inverted structure perovskite solar cells was on the power conversion efficiency increasing. In this study nanoparticles of Cu₂ZnSnS₄ (CZTS) were doped into the PEDOT:PSS film as the hole transport layer (HTL) and then the interface carrier recombination quenching was observed. Consequently, it leads the s to charge carrier's collection enhancement of the Inverted perovskite solar cells. Compared to other types of HTLs, the use of CZTS HTL reduces the amount of interaction of the HTL film and the perovskite film, which results in an increment of the stability of the solar cell over time.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116069"},"PeriodicalIF":2.9,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141990573","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":"Electronic and optical properties of all-inorganic TiX3 transition metal halide nanowires","authors":"Junais Habeeb Mokkath","doi":"10.1016/j.physe.2024.116071","DOIUrl":"10.1016/j.physe.2024.116071","url":null,"abstract":"<div><p>Transition metal halides are promising for use in photovoltaics and optoelectronics. This research systematically investigated the composition-dependent electronic and optical properties of all-inorganic TiX₃ (X = Cl/Br/I) transition metal halide nanowires using first-principles density functional theory (DFT) and time-dependent DFT calculations. The findings emphasize the significant impact of the specific halide type on the electronic and optical characteristics of TiX₃ nanowires. Particularly, the type of halide significantly influences the electronic states near the Fermi level and the infrared photoabsorption properties. An important discovery is the exceptional photoabsorption strength observed in the TiCl₃ nanowire, reaching an impressive value of 26000 cm⁻¹. The study also offers insights into exciton generation, aided by Transition Contribution Maps. Apart from its theoretical implications, we expect that the insights gained from this research will contribute to the advancement of active optical devices utilizing all-inorganic halide perovskites.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116071"},"PeriodicalIF":2.9,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141984826","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":"Experimentation and simulation of gas flow field distribution during the growth of carbon nanotubes in a horizontal reactor","authors":"Qianpeng Dong ,&nbsp;Chenyu Gao ,&nbsp;Wenjuan Bai ,&nbsp;Lianlian Wang ,&nbsp;Dianming Chu ,&nbsp;Yan He","doi":"10.1016/j.physe.2024.116074","DOIUrl":"10.1016/j.physe.2024.116074","url":null,"abstract":"<div><p>Carbon nanotubes (CNTs) were grown in a horizontal reactor by chemical vapor deposition, and it was found in the experiments that different heating temperatures and the position of the porcelain boat affect the morphology and yield of CNTs. Computational fluid dynamics (CFD) software is used to simulate the gas flow field distribution in the horizontal reactor under different operating parameters, and the results revealed that the gas flow in the horizontal reactor was advancing with vortex, and this gas circulation is induced by the difference in density due to the existence of temperature difference between the gas streams. As the heating temperature and nitrogen gas velocity increase, this vortex distorts the laminar flow, which in turn weakens the growth of CNTs.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116074"},"PeriodicalIF":2.9,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141990571","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":"Unveiling thermally driven photoluminescence in CVD grown MoS2 dendritic flake","authors":"Anagha G. ,&nbsp;Kalyan Ghosh ,&nbsp;Pratap Kumar Sahoo ,&nbsp;Jyoti Mohanty","doi":"10.1016/j.physe.2024.116065","DOIUrl":"10.1016/j.physe.2024.116065","url":null,"abstract":"<div><p>High-quality MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> nanostructures were fabricated via chemical vapor deposition technique on SiO₂/Si substrate. In this paper, the effect of temperature on the photoluminescence behavior of MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> dendritic flake is addressed. We scrutinized the photoluminescence spectra of monolayer and multilayer regions of MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> in the temperature range 300 K–680 K. Monolayer and multilayer behavior of MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> flakes are confirmed by Raman and Photoluminescence spectroscopy. The excitonic peaks from the multilayer regime become less intense and show a red shift compared to the monolayer PL spectra. Thermally-induced bandgap modulation of MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> is demonstrated. The excitonic intensity and peak positions reveal pronounced temperature-dependent changes. These changes are explicable through the increased electron–phonon interaction and lattice rearrangements. Furthermore, first principle calculations are employed to glean insight into the impact of atomic rearrangements on the band gap behavior of MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>. Our research presents a detailed understanding of thermally driven band gap modulation of monolayer and multilayer MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, which is essential for designing optoelectronic devices.</p></div>","PeriodicalId":20181,"journal":{"name":"Physica E-low-dimensional Systems & Nanostructures","volume":"165 ","pages":"Article 116065"},"PeriodicalIF":2.9,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142002024","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}