Physica B-condensed Matter最新文献_第4页

Lithium-modulated dual-functionality of diamond (110): First-principles study of high-efficiency ion transport and tunable electromagnetic response 锂调制金刚石的双功能（110）：高效离子输运和可调谐电磁响应的第一性原理研究

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-04 DOI: 10.1016/j.physb.2025.417485

Qingchen Hao , Jing Li , Wenzhe Cheng, Jiyao Fu, Dongchao Qiu

{"title":"Lithium-modulated dual-functionality of diamond (110): First-principles study of high-efficiency ion transport and tunable electromagnetic response","authors":"Qingchen Hao , Jing Li , Wenzhe Cheng, Jiyao Fu, Dongchao Qiu","doi":"10.1016/j.physb.2025.417485","DOIUrl":"10.1016/j.physb.2025.417485","url":null,"abstract":"<div><div>The dynamic modulation of electromagnetic properties on the diamond (110) surface via lithium adsorption and migration is investigated using spin-polarized density functional theory. Three adsorption configurations (Dia(110)-Li<sub>S7'</sub>, Dia(110)-Li<sub>S2</sub>, and Dia(110)-Li<sub>S5</sub>) are identified, with Dia(110)-Li<sub>S7'</sub> exhibiting the lowest adsorption energy. Li shows anisotropic migration, with a low energy barrier (0.137 eV) for S7'→S2→S7′ diffusion along the y-axis, outperforming many other anode materials. Reverse migration of S5→S7′ required a higher barrier, confirming S7′ as the dominant adsorption site. This facile migration pathway, coupled with structural stability, makes diamond particles an ideal dopant for Li-ion battery anodes, assisting rapid ion transport and dendrite suppression. Furthermore, Li adsorption induces spin polarization and band structure changes. The reversible transport results in a tunable electronic and magnetic response, suggesting potential applications in adaptive electromagnetic materials and semiconductors. Our findings provide a theoretical basis for utilizing diamond surfaces in energy storage and multifunctional material design.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417485"},"PeriodicalIF":2.8,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144221393","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}

引用次数: 0

A review of TiO2 nanostructured materials for hydrogen generation through photocatalytic and photoelectrochemical water splitting 光催化和光电化学水分解制氢纳米TiO2材料的研究进展

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-04 DOI: 10.1016/j.physb.2025.417466

Taixiang Feng , F.K. Yam

{"title":"A review of TiO2 nanostructured materials for hydrogen generation through photocatalytic and photoelectrochemical water splitting","authors":"Taixiang Feng , F.K. Yam","doi":"10.1016/j.physb.2025.417466","DOIUrl":"10.1016/j.physb.2025.417466","url":null,"abstract":"<div><div>In this comprehensive review, recent advances in water-splitting applications using TiO<sub>2</sub> as a photocatalyst are explored, with a focus on the fundamental principles of TiO<sub>2</sub> nanostructures and an overview of photocatalytic (PC) and photoelectrochemical (PEC) water splitting. The basic mechanism of water splitting is discussed in detail, covering the requirement for the photocatalysts, interfacial charge transport, and process quantification. The history, properties, and characterization techniques of TiO<sub>2</sub> photocatalysts are thoroughly reviewed, along with fabrication methods such as anodization, hydrothermal synthesis, sol-gel processes, and template-assisted methods, as well as modification strategies like doping, heterojunctions, and other treatments. Finally, a comparison of PC and PEC water-splitting processes is provided, highlighting system differences, their advantages, limitations, and recent advancements to offer readers a comprehensive understanding of hydrogen generation using TiO<sub>2</sub> nanostructures and to inspire innovative strategies for hydrogen production.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417466"},"PeriodicalIF":2.8,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144263192","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}

引用次数: 0

Nano-sized ZnO particles on fabric substrates: Achieving ultra-flexible, self-healing UV photodetectors with superior anti-distortion performance 织物衬底上的纳米ZnO粒子：实现具有优异抗畸变性能的超柔性、自修复紫外光电探测器

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-03 DOI: 10.1016/j.physb.2025.417482

Xinnan Shi, Leyao Wu, Haibo Fan, Peng Hu, Qiujie Li, Feng Teng

{"title":"Nano-sized ZnO particles on fabric substrates: Achieving ultra-flexible, self-healing UV photodetectors with superior anti-distortion performance","authors":"Xinnan Shi, Leyao Wu, Haibo Fan, Peng Hu, Qiujie Li, Feng Teng","doi":"10.1016/j.physb.2025.417482","DOIUrl":"10.1016/j.physb.2025.417482","url":null,"abstract":"<div><div>Flexible photodetectors have received a lot of attention due to their potential applications in wearable electronic devices. In order to solve the problem of particle adhesion on fabric substrates, a flexible ultraviolet photodetector based on ZnO nanoparticles was prepared on the fabric substrate by adjusting the particle size of ZnO nanoparticles. A series of ZnO nanoparticles with different particle sizes were synthesized by hydrothermal method, and the effects of particle sizes on the performance of photodetectors were systematically studied. The results show that ZnO quantum dots (QDs) are easily attached to fabric fibers due to their very small particle size, showing a switching ratio of 110 and a response speed of 7.38/4.12 s. The photocurrent recovered by 50 % after 1000 bends compared to the device bending to 2 cm, indicating that the photodetector has excellent anti-distortion and self-healing ability, which is of great significance for the development of fabric-based flexible photodetectors and provides a new idea for the development of flexible electronic devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417482"},"PeriodicalIF":2.8,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213128","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}

引用次数: 0

Exploring the impact of air annealing on zinc sulfide thin films for enhancing ultraviolet photodetection in environmental monitoring applications 探讨空气退火对硫化锌薄膜的影响，以增强紫外光探测在环境监测中的应用

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-03 DOI: 10.1016/j.physb.2025.417481

Naveed Afzal , Anas A. Ahmed , Mohsin Rafique , Sadia Bilal , Hamdan A.S. Al-Shamiri , Ahlaam T. Nomaan , Amani M. Alansi , Talal F. Qahtan

{"title":"Exploring the impact of air annealing on zinc sulfide thin films for enhancing ultraviolet photodetection in environmental monitoring applications","authors":"Naveed Afzal , Anas A. Ahmed , Mohsin Rafique , Sadia Bilal , Hamdan A.S. Al-Shamiri , Ahlaam T. Nomaan , Amani M. Alansi , Talal F. Qahtan","doi":"10.1016/j.physb.2025.417481","DOIUrl":"10.1016/j.physb.2025.417481","url":null,"abstract":"<div><div>Zinc sulfide (ZnS) thin films were deposited on p-type silicon substrates using RF magnetron sputtering and annealed in air between 125 °C and 500 °C. XRD and XPS confirmed the gradual formation of ZnS–ZnO mixed phases due to oxidation during and after deposition. AFM showed that the films retained a smooth morphology after post-annealing. The optical band gap increased from ∼3.54 eV (unannealed) to ∼3.89 eV at 250 °C, then dropped to ∼3.42 eV at 500 °C due to phase transformation and defect formation. Photodiodes fabricated from both unannealed and annealed films showed typical p–n junction behavior. The device annealed at 500 °C exhibited enhanced UV photodetection under 365 nm light exposure at 1.22 mW/cm<sup>2</sup>, with a sensitivity of 1.16 × 10<sup>4</sup> %, responsivity of 0.6 A/W, and rise/fall times of 0.17/0.26 s. These results demonstrate that air annealing is a simple and eco-friendly strategy to enhance the optoelectronic properties of ZnS films for UV photodetector applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417481"},"PeriodicalIF":2.8,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144240960","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}

引用次数: 0

Impact of angle and bond distance variation on the transport properties of perovskites 角度和键距变化对钙钛矿输运性质的影响

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-03 DOI: 10.1016/j.physb.2025.417472

Youssef Moualhi, Hedi Rahmouni

{"title":"Impact of angle and bond distance variation on the transport properties of perovskites","authors":"Youssef Moualhi, Hedi Rahmouni","doi":"10.1016/j.physb.2025.417472","DOIUrl":"10.1016/j.physb.2025.417472","url":null,"abstract":"<div><div>Relations between the electrical conductivity responses, the direct and indirect cation interactions, the Cation-Anion bond distances, and the Cation-Anion-Cation angles are discussed. It is shown that both Cation-Cation and Cation-Anion-Cation interactions govern essentially the dynamics of the charge carriers in various oxide compounds. The electrical transport properties for materials containing transition metal cations are directly related to the Cation-Cation/Cation-Anion bond distances and Cation-Anion-Cation (α) angle values. Accordingly, for α > 135° and for weak Cation-Anion length, strong Cation-Anion-Cation interactions are observed, thus implying the appearance of a semiconductor behavior. Explicitly, for elevated Cation-Anion-Cation angle (α around 180°), no Cation-Cation interaction can be seen, which supports the development of materials with a semiconductor behavior. In this work, the temperature dependence of the electrical conductivity is considered to estimate the relative magnitudes of the Mn - Mn versus Mn-O-Mn interactions. Accordingly, for manganites with strong Mn - Mn interactions, covalent-type bonds may be formed at low temperatures. The appearance of metallic behavior within the mentioned material family is linked to the improvement of the Mn - Mn interactions degree. For various oxide systems, covalent-type Cation-Cation bond formation improves the phase transition from the metallic to the semiconductor behaviors, which can be cooperative or non-cooperative. The cooperative transition is observed at a definite temperature value. While, the non-cooperative transition can be noticeable over a finite temperature domain.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417472"},"PeriodicalIF":2.8,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213126","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}

引用次数: 0

Leveraging strain-induced staggered Dzyaloshinskii-Moriya interaction for altermagnetic Néel vector control 利用应变诱导的交错Dzyaloshinskii-Moriya相互作用进行交变nsamel病媒控制

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-03 DOI: 10.1016/j.physb.2025.417475

Jae-Hun Sim , Chang-Jong Kang , Soong-Geun Je

引用次数: 0

DFT study of dynamical stability, electronic structure, and thermoelectric properties of the Cs2CuOsCl6 double perovskite DFT研究了Cs2CuOsCl6双钙钛矿的动力学稳定性、电子结构和热电性能

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-03 DOI: 10.1016/j.physb.2025.417479

Nazir Ahmad Teli, Showkat Hassan Mir, Basharat Want

引用次数: 0

Interface-modulated large MAE in hcp-M2/Sin superlattice hcp-M2/Sin超晶格中接口调制的大MAE

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-03 DOI: 10.1016/j.physb.2025.417477

Jijun Xue, Shixin Hu, Xiaoying Wang, Hua Pang

{"title":"Interface-modulated large MAE in hcp-M2/Sin superlattice","authors":"Jijun Xue, Shixin Hu, Xiaoying Wang, Hua Pang","doi":"10.1016/j.physb.2025.417477","DOIUrl":"10.1016/j.physb.2025.417477","url":null,"abstract":"<div><div>Magnetocrystalline anisotropy (MCA) plays a crucial role in magnetic materials. Achieving high MCA has long been a challenging problem, especially for 3d transition metals. In this paper, we construct a hexagonal close-packed (<em>hcp</em>) M<sub>2</sub>/Si<sub><em>n</em></sub> (M = Co, Fe) superlattice with a space group switched by the parity of <em>n</em> between P-3m1 (even <em>n</em>) and <em>P</em>6<sub>3</sub>/<em>mmc</em> (odd <em>n</em>). Via density-functional theory, we demonstrate the dependence of the electronic structure near the Fermi energy on the crystal symmetry, which induces quantum oscillations in the strength of M/Si interface coupling and magnetocrystalline anisotropy energy (MAE) with the parity of <em>n</em>. The local environment of the Fe atom has C<sub>3v</sub> symmetry at odd <em>n</em>, giving rise to orbital degeneracy of <span><math><mrow><msub><mi>d</mi><mrow><mi>x</mi><mi>y</mi></mrow></msub><mo>/</mo><msub><mi>d</mi><mrow><msup><mi>x</mi><mn>2</mn></msup><mo>−</mo><msup><mi>y</mi><mn>2</mn></msup></mrow></msub></mrow></math></span> and <span><math><mrow><msub><mi>d</mi><mrow><mi>x</mi><mi>z</mi></mrow></msub><mo>/</mo><msub><mi>d</mi><mrow><mi>y</mi><mi>z</mi></mrow></msub></mrow></math></span>, leading to perpendicular MAE and enhancing the spin-orbit coupling matrix element. This mechanism yields an MAE of −8.54 meV/f.u. in <em>hcp</em>- Fe<sub>2</sub>/Si<sub>7</sub>, surpassing bulk Fe by two orders and rivaling L1<sub>0</sub> Fe-Pt alloys (∼1 meV/f.u.). In addition, the perpendicular MAE remains when the lattice distortion Δ(<em>c</em>/<em>a</em>) ranges from −3 % to 2 %, implying potential thermal stability if used as nanodevices. Our C<sub>3</sub>ᵥ symmetry-preserving interfacial engineering strategy provides a heavy-element-free route to achieving highly anisotropic magnets.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417477"},"PeriodicalIF":2.8,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144263185","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}

引用次数: 0

Controllable bending behavior of nanotube driven by the polar water molecules under the orthogonal electric fields 正交电场下极性水分子驱动纳米管的可控弯曲行为

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-03 DOI: 10.1016/j.physb.2025.417478

Yuechen Xia , Lili Zhou , Yonggang Zheng , Hongfei Ye

{"title":"Controllable bending behavior of nanotube driven by the polar water molecules under the orthogonal electric fields","authors":"Yuechen Xia , Lili Zhou , Yonggang Zheng , Hongfei Ye","doi":"10.1016/j.physb.2025.417478","DOIUrl":"10.1016/j.physb.2025.417478","url":null,"abstract":"<div><div>The convenient strategy for controlling deformation of nanomaterials has great application in nanoswitch, nanochip and so on. In this work, by using an electric field with two mutually orthogonal components, it is discovered that the bending deformation of water-filled CNTs could be precisely controlled. The molecular dynamics simulations indicate that the bending deflection increases with the intensity of transverse electric field, while the bending direction could be conveniently altered through switching the direction of longitudinal electric field. This controllable deformation primarily originates from the response of polar water molecules to electric field, and two theoretical models are established considering the coupling effects of bending moment or shear force with tension. The results show that the shear force mechanism has less deviation. This work uncovers the deformation characteristics of liquid-filled CNTs under an electric field and lays a solid foundation for their potential applications in nanoelectromechanical systems, sensors, etc.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417478"},"PeriodicalIF":2.8,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144221395","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}

引用次数: 0

Impact of heat treatment on structural and optical properties of europium based phosphate glasses for photonic applications 热处理对光子用铕基磷酸盐玻璃结构和光学性能的影响

IF 2.8 3区物理与天体物理

Physica B-condensed Matter Pub Date : 2025-06-03 DOI: 10.1016/j.physb.2025.417483

Pardeep Kaur , Tejbir Singh , Preet Kaur

{"title":"Impact of heat treatment on structural and optical properties of europium based phosphate glasses for photonic applications","authors":"Pardeep Kaur , Tejbir Singh , Preet Kaur","doi":"10.1016/j.physb.2025.417483","DOIUrl":"10.1016/j.physb.2025.417483","url":null,"abstract":"<div><div>Effect of heat treatment on optical and structural properties of Eu<sup>3+</sup>-doped glasses with composition xEu<sub>2</sub>O<sub>3</sub>-20BaO-20Bi<sub>2</sub>O<sub>3</sub>-1.5Al<sub>2</sub>O<sub>3</sub>-(58.5-x)P<sub>2</sub>O<sub>5</sub> (x = 0, 0.5, 1.0, 1.5 mol%) are investigated. XRD pattern reveals the commencement of crystallization, attributed to the segregation of crystalline phases of barium, bismuth and phosphate. EDX analysis confirms the presence of Ba, Bi. P, O, Eu and Al in all samples, except HT-0.0-EuBiPBa sample which shows no detectable Eu-content. Increasing content of Eu<sub>2</sub>O<sub>3</sub> promotes crystallization. Optical studies demonstrated that absorption band is slightly blue shifted (from 457 nm to 450 nm). A decrease in optical bandgap across all samples is linked to introduction of defect states on heating. Photoluminescence measurements showed enhanced luminescence intensity, particularly in the hypersensitive <sup>5</sup>D<sub>0</sub> → <sup>7</sup>F<sub>2</sub> transition, indicating improved local environment around Eu<sup>3+</sup> ions. Concentration quenching is evident on increasing the content of Eu<sub>2</sub>O<sub>3</sub> beyond 1.0 mol%. Findings highlight the potential of heat treatment to tailor the properties of rare-earth doped glasses for photonics applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"714 ","pages":"Article 417483"},"PeriodicalIF":2.8,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229894","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}

引用次数: 0