Physica B-condensed Matter最新文献_第9页

SiC/Ga2S3 heterostructures: A versatile platform for high-efficiency photovoltaics and photodetection SiC/Ga2S3异质结构：高效光伏和光探测的通用平台

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-20 DOI: 10.1016/j.physb.2026.418307

Jia-Wang Tan, Zi-Song Zhang, Ren Wen, Jia-Jian He, Yi-Bo Zhou, Xiaoqing Deng, Lin Sun

In recent decades, wide bandgap semiconductors have attracted considerable attention due to their unique electrical properties. This study focuses on two such materials, SiC and Ga₂S₃, and employs the generalized lattice matching (GLM) approach to construct two van der Waals heterostructures. Computational results indicate that both heterojunctions exhibit type II band alignment with different band gaps, 1.55 (2.13) eV for M1 and 0.55 (0.93) eV for M2 with PBE (HSE06) methods. The electronic properties of the heterojunctions, including bandgap magnitude (E_g), direct/indirect nature, and band alignment type (type II or type I), can be efficiently modulated through applied electric fields and vertical strain, enabling dynamic control over their functional behavior. Additionally, the heterojunction exhibits a high optical absorption coefficient exceeding 10⁵ and achieves a photoconversion efficiency of 21.11 %, while also satisfying the thermodynamic requirements for photocatalytic water splitting at pH = 0. These outstanding attributes underscore its strong potential for applications in photocatalytic water splitting, energy conversion, and storage, positioning it as a promising candidate material for high-performance optoelectronic devices and efficient photocatalysts.

近几十年来，宽带隙半导体以其独特的电学特性引起了人们的广泛关注。本研究以SiC和Ga2S3两种材料为研究对象，采用广义晶格匹配（GLM）方法构建了两种范德华异质结构。计算结果表明，采用PBE （HSE06）方法，两种异质结均表现为II型带向，带隙不同，M1为1.55 (2.13)eV， M2为0.55 (0.93)eV。异质结的电子特性，包括带隙大小（Eg）、直接/间接性质和带对准类型（II型或I型），可以通过外加电场和垂直应变有效地调制，从而实现对其功能行为的动态控制。此外，该异质结具有超过105的高光学吸收系数，光转换效率达到21.11%，同时满足pH = 0时光催化水分解的热力学要求。这些突出的特性强调了其在光催化水分解、能量转换和存储方面的强大应用潜力，使其成为高性能光电器件和高效光催化剂的有前途的候选材料。

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引用次数: 0

Investigation of layer-dependent electronic, optical and thermoelectric transport properties of α-In2Se3 based on first principles calculations 基于第一性原理计算的α-In2Se3层相关电子、光学和热电输运性质研究

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-20 DOI: 10.1016/j.physb.2026.418308

Chanchal Jeengar , Tahir Ahmad , Kajal Jindal , Anjali Sharma , Sonia Chahar Srivastava , Monika Tomar , Pradip Kumar Jha

Here, the electronic, optical and thermoelectric transport properties are studied using DFT for the bulk and the monolayer α-In₂Se₃. The electronic bandgap is observed to be 1.36 eV for the monolayer and 1.25 eV for the bulk α-In₂Se₃ using HSE06 hybrid functional. The optical properties such as the dielectric constant, absorption coefficient, refractive index, birefringence, reflectivity, energy loss functions and optical conductivity were also studied for the bulk and the monolayer of α-In₂Se₃. It was also observed that bulk α-In₂Se₃ exhibits a Seebeck coefficient of 850 μV/K and 1056 μV/K for monolayer α-In₂Se₃ at 300 K indicating it as a potential room temperature layered thermoelectric material. Further, the electronic part of figure of merit, ZT_e found to reach 103 for monolayer α-In₂Se₃ and 104 for bulk α-In₂Se₃ at 300 K. Further, the total figure of merit, ZT was found to be 1.64 for the n-type monolayer α-In₂Se₃ at 300 K. The present work highlights the promising application of α-In₂Se₃ in next generation sub-nm scale optoelectronic and thermoelectric devices.

本文利用离散傅里叶变换研究了体和单层α-In2Se3的电子、光学和热电输运性质。利用HSE06杂化函式，观察到单层α-In2Se3的电子带隙为1.36 eV，体α-In2Se3的电子带隙为1.25 eV。研究了α-In2Se3的介电常数、吸收系数、折射率、双折射、反射率、能量损失函数和光电导率等光学性质。体α-In2Se3在300 K时的塞贝克系数为850 μV/K，单层α-In2Se3的塞贝克系数为1056 μV/K，表明它是一种有潜力的室温层状热电材料。此外，中兴通讯发现，在300 K时，单层α-In2Se3的电子性能指数达到103，块状α-In2Se3达到104。此外，在300 K时，n型单层α-In2Se3的总品质值ZT为1.64。本研究强调了α-In2Se3在下一代亚纳米尺度光电和热电器件中的应用前景。

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引用次数: 0

Strain engineering for significantly enhanced electron transport in monolayer arsenene 在单层砷中显著增强电子传递的应变工程

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-20 DOI: 10.1016/j.physb.2026.418296

Xiaomei Zhang , Yongxiu Wang , Xin Ma , Xiaohui Zhou , Chenhai Shen , Congxin Xia , Yufang Liu

Two-dimensional (2D) layered semiconductors are emerging as promising materials for next-generation electronics, but their development is hampered by typically low intrinsic carrier mobility. Herein, we have systematically investigated the carrier transport in monolayer arsenene by integrating first-principles calculations with the ab initio Boltzmann transport theory. The predicted hole mobility of 768 cm²V⁻¹s⁻¹ at room temperature is clearly larger than that in common 2D semiconductors. A mode-by-mode analysis of scattering rates reveals that the hole transport is primarily limited by out-of-plane optical (ZO) phonons. We further demonstrate that the carrier transport in arsenene could be significantly enhanced through applying biaxial tensile strain. When applied strain exceeds 3 %, the optimal transport performance has been achieved. The obtained electron mobility of ∼1500 cm²V⁻¹s⁻¹ renders arsenene more appealing in practical application. Strain-induced indirect-to-direct bandgap transition is identified as the primary mechanism for the enhanced electron transport. In particular, the resultant isotropic and parabolic band structure with exceptionally small effective masses emerges as the crucial factor, which not only ensures high band velocity but also confers a low density of states (DOS) that severely limits available phase space for electron scattering. These findings advance the understanding of carrier transport in monolayer arsenene. The superior electron transport and bandgap characteristics under strain render arsenene highly promising for future electronic devices.

二维（2D）层状半导体正在成为下一代电子产品的有前途的材料，但其发展受到典型的低固有载流子迁移率的阻碍。本文通过将第一性原理计算与从头算玻尔兹曼输运理论相结合，系统地研究了单层砷中的载流子输运。室温下768 cm2V−1s−1的空穴迁移率明显大于普通二维半导体。对散射速率的逐模分析表明，空穴输运主要受面外光学声子的限制。我们进一步证明，通过施加双轴拉伸应变可以显著增强砷中的载流子输运。当施加的应变超过3%时，获得了最佳的输运性能。得到的电子迁移率为~ 1500 cm2V−1s−1，使得砷在实际应用中更具吸引力。应变诱导的间接到直接带隙跃迁被认为是电子输运增强的主要机制。特别是，由此产生的各向同性和抛物线带结构具有极小的有效质量成为关键因素，这不仅保证了高带速度，而且还提供了低态密度（DOS），严重限制了电子散射的可用相空间。这些发现促进了对单层砷中载体运输的认识。在应变下优异的电子输运和带隙特性使砷在未来的电子器件中具有很大的应用前景。

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引用次数: 0

Raman spectroscopy and first-principles calculations of trigonal and cubic Mg3Sb2 thin films 三角形和立方Mg3Sb2薄膜的拉曼光谱和第一性原理计算

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-19 DOI: 10.1016/j.physb.2026.418303

Jun-ichi Tani, Hiromichi Ishikawa

In recent years, thermoelectric conversion technologies that transform unused waste heat into electricity have attracted considerable attention as potential solutions to global environmental and energy challenges. Among candidate materials, the Zintl-phase compound Mg₃Sb₂ has emerged as a promising candidate owing to its excellent thermoelectric properties. However, detailed investigations of its lattice vibrational characteristics using Raman spectroscopy remain limited, particularly for the β-phase, for which experimental reports are scarce. In this study, α- and β-Mg₃Sb₂ thin films were fabricated using RF magnetron sputtering, and their Raman spectra were measured at room temperature. Furthermore, first-principles calculations based on density functional theory and density functional perturbation theory were performed to obtain theoretical Raman spectra, which were subsequently compared with the experimental results. Four Raman peaks were experimentally observed for α-Mg₃Sb₂ at 72, 118, 212, and 240 cm⁻¹, showing good agreement with theoretical predictions. For β-Mg₃Sb₂, nine peaks were experimentally identified for the first time in the 66–270 cm⁻¹ range, with vibrational mode analysis revealing contributions from both Sb and Mg atoms. These findings provide new insights into the crystal structure and lattice vibrational properties of Mg₃Sb₂.

近年来，将未使用的废热转化为电能的热电转换技术作为解决全球环境和能源挑战的潜在解决方案受到了广泛关注。在候选材料中，zintl相化合物Mg3Sb2因其优异的热电性能而成为有希望的候选材料。然而，利用拉曼光谱对其晶格振动特性的详细研究仍然有限，特别是对于β相，实验报告很少。本研究采用射频磁控溅射法制备了α-和β-Mg3Sb2薄膜，并在室温下测量了它们的拉曼光谱。基于密度泛函理论和密度泛函微扰理论进行第一性原理计算，得到理论拉曼光谱，并与实验结果进行比较。α-Mg3Sb2在72、118、212和240 cm−1处有4个拉曼峰，与理论预测一致。对于β-Mg3Sb2，在66 ~ 270 cm−1范围内首次通过实验确定了9个峰，振动模式分析揭示了Sb和Mg原子的贡献。这些发现为Mg3Sb2的晶体结构和晶格振动特性提供了新的见解。

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引用次数: 0

Probing the physical properties of rare earth metal based double perovskites Sr2Ce(Ni,Sn)O6 through first-principles investigations 用第一性原理研究稀土金属基双钙钛矿Sr2Ce(Ni,Sn)O6的物理性质

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-19 DOI: 10.1016/j.physb.2026.418306

Iftikhar Ahmed , Calvyn T. Howells , Mubashir Nazar , Gamil A.A.M. Al-Hazmi

This research work probes the physical attributes of rare earth metal-based double perovskites Sr₂CeNiO₆ and Sr₂CeSnO₆ using first-principles calculations with the generalized gradient approximation and modified Becke-Johnson (GGA + mBJ) method. To check their structural stability, tolerance (τ) and octahedral (μ) factors, and formation energy (ΔH) were calculated with calculated τ values of 0.90 and 0.91, and ΔH of −3.96 eV and −4.37 eV for respective Sr₂CeNiO₆ and Sr₂CeSnO₆. Mechanical firmness was further confirmed by means of elastic tensor based Born stability criteria. The electronic structures obtained from the mBJ method reveals direct band gaps of 1.55 eV and 2.44 eV, with Ce-4f states appearing near the conduction bands edge and effectively influencing the band dispersion. Optical conductivity analysis shows enhanced conductivity in the UV light, representing possible contender for optoelectronic technologies, such as UV detection and photovoltaic devices. Thermoelectric properties of Sr₂CeNiO₆ and Sr₂CeSnO₆ show favorable Seebeck coefficients and reduced thermal conductivity, resulting the ZT of 0.82 at 700 K and 0.77 at 500 K. These findings showcase the possibility of these rare earth based oxides for efficient energy conversion, making them perfect contenders for future-generation thermoelectric systems.

本研究采用广义梯度近似和改进的Becke-Johnson （GGA + mBJ）方法对稀土金属基双钙钛矿Sr2CeNiO6和Sr2CeSnO6的物理性质进行了第一性原理计算。为了验证其结构稳定性，计算了Sr2CeNiO6和Sr2CeSnO6的耐受性（τ）和八面体（μ）因子以及地层能（ΔH），计算τ值分别为0.90和0.91，ΔH分别为- 3.96 eV和- 4.37 eV。利用基于弹性张量的Born稳定性判据进一步确定了结构的力学牢固性。通过mBJ方法得到的电子结构显示出1.55 eV和2.44 eV的直接带隙，Ce-4f态出现在导带边缘附近，有效地影响了能带色散。光电导率分析显示，紫外光下的电导率增强，代表了光电子技术的可能竞争者，如紫外光检测和光伏器件。Sr2CeNiO6和Sr2CeSnO6的热电性能表现出良好的塞贝克系数和降低的导热系数，在700 K和500 K时ZT分别为0.82和0.77。这些发现展示了这些稀土基氧化物用于高效能量转换的可能性，使它们成为下一代热电系统的完美竞争者。

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引用次数: 0

Quench-induced thermo-mechanical coupling damage of Nb3Sn composite superconductor based on a machine-learning augmented molecular dynamics study 基于机器学习增强分子动力学的Nb3Sn复合超导体猝灭热-机械耦合损伤研究

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-19 DOI: 10.1016/j.physb.2026.418304

Qiaoyi Du , Xiaohua Liu , He Ding , Gesheng Xiao , Lin Yang , Li Qiao

Quenching in Nb₃Sn superconducting magnets causes a sudden energy release, leading to localized overheating and high voltages that severely damage the coil and the overall system. To study the thermomechanical response during quenching, an accurate second-nearest-neighbor modified embedded-atom method (2NN MEAM) potential was developed using a multi-objective tree-structured Parzen estimator algorithm. The 2NN MEAM potential captured the nonlinear temperature-dependent evolution of the elastic and thermodynamic properties of Nb₃Sn magnets between 0 and 300 K. Damage mechanisms under varying heating and strain rates were systematically investigated via molecular dynamics simulations. Results show that thermal shock nucleated amorphous zones at grain boundaries, whereas mechanical shock triggered either intergranular or transgranular fracture depending on the strain rate. Under thermomechanical shock, higher heating rates reduced the yield stress and strength via thermal softening, whereas higher strain rates enhanced strain hardening, thereby improving the ultimate strength and fracture strain.

在Nb3Sn超导磁体中淬火会导致突然的能量释放，导致局部过热和高压，严重损坏线圈和整个系统。为了研究淬火过程中的热力学响应，采用多目标树结构Parzen估计算法建立了精确的第二近邻修正嵌入原子法（2NN MEAM）电位。2NN MEAM势捕获了Nb3Sn磁体在0 ~ 300 K之间弹性和热力学性质的非线性温度依赖演化。通过分子动力学模拟系统地研究了不同加热和应变速率下的损伤机制。结果表明，热冲击在晶界处形成非晶核区，而机械冲击则根据应变速率的不同引发沿晶或穿晶断裂。在热力冲击下，较高的加热速率通过热软化降低了屈服应力和强度，而较高的应变速率增强了应变硬化，从而提高了极限强度和断裂应变。

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引用次数: 0

Density functional theory insights into A2BBiCl6 (A = Cs, K; B = Ag, Au) halide double perovskites for next-generation photovoltaics A2BBiCl6 （A = Cs， K; B = Ag, Au）卤化物双钙钛矿的密度泛函理论研究

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-19 DOI: 10.1016/j.physb.2026.418286

Katarzyna Mądra-Gackowska , Marcin Gackowski , Łukasz Szeleszczuk

Halide double perovskites have been developed as an alternative to lead-based perovskites, with tunable optoelectronic and thermodynamic properties enabling promising applications in energy conversion technology. The structural, dynamical, electronic, mechanical, optical, and thermal properties of cation-modified A₂BBiCl₆ (A = Cs, K; B = Ag, Au) double perovskites are investigated using density functional theory (DFT) with PBE-GGA and the HSE06 hybrid functional. The negative formation energies confirm their thermodynamic stability, while the absence of imaginary phonon modes further ensures their dynamical stability. Electronic band structure calculations show indirect band gaps of 2.236 eV (Cs₂AgBiCl₆), 2.149 eV (K₂AgBiCl₆), and 1.215 eV (K₂AuBiCl₆), all within the desirable range for photovoltaic applications. Density of states and charge density analyses are reported to understand the dominance of covalent Bi–Cl, Ag–Cl, and Au–Cl interactions, while the ionic A–Cl bonding is maintained in equilibrium. Mechanical analysis confirms that all compounds satisfy the Born stability criteria and display anisotropic behavior, with Cs₂AgBiCl₆ identified as the stiffest. Moreover, all calculated compounds display a ductile nature, making them highly suitable for device fabrication. Optical measurements indicate good absorption in the UV band and a high dielectric constant, whereas K₂AuBiCl₆ exhibits appropriate absorption in the visible range, making it highly promising for photovoltaic applications. Thermodynamic studies indicate low Debye temperatures (<200 K) and moderate melting points, as well as lattice thermal conductivities that decrease with atomic mass, while K₂AuBiCl₆ exhibits the highest anharmonicity. These results indicate that Cs₂AgBiCl₆ is stable both mechanically and thermally and promising for UV light absorption, while K₂AuBiCl₆ is a promising photovoltaic material with an ideal band gap and effective visible-light absorption.

卤化物双钙钛矿已被开发为铅基钙钛矿的替代品，具有可调谐的光电和热力学性质，使其在能量转换技术中具有广阔的应用前景。采用密度泛函理论（DFT），结合PBE-GGA和HSE06杂化泛函研究了阳离子修饰的A2BBiCl6 （A = Cs， K; B = Ag, Au）双钙钛矿的结构、动力学、电子、机械、光学和热性质。负的形成能证实了它们的热力学稳定性，而没有虚声子模式进一步保证了它们的动力学稳定性。电子能带结构计算表明，间接带隙为2.236 eV （Cs2AgBiCl6）、2.149 eV （K2AgBiCl6）和1.215 eV (K2AuBiCl6)，均在光伏应用的理想范围内。据报道，状态密度和电荷密度分析了解共价Bi-Cl， Ag-Cl和Au-Cl相互作用的优势，而离子A-Cl键保持平衡。力学分析证实，所有化合物均满足Born稳定性标准，并表现出各向异性行为，其中Cs2AgBiCl6的硬度最高。此外，所有计算的化合物都显示出延展性，使它们非常适合于器件制造。光学测量表明，K2AuBiCl6在紫外波段具有良好的吸收性能和较高的介电常数，而K2AuBiCl6在可见光范围内具有适当的吸收，这使其在光伏应用中具有很大的前景。热力学研究表明，K2AuBiCl6具有低德拜温度（<200 K）和中等熔点，晶格热导率随原子质量而降低，而K2AuBiCl6表现出最高的非调和性。这些结果表明，Cs2AgBiCl6具有机械和热稳定性，具有良好的紫外光吸收性能，而K2AuBiCl6具有理想的带隙和有效的可见光吸收，是一种有前途的光伏材料。

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引用次数: 0

Aloevera–Assisted synthesis of Dy3+-doped zinc chromite nanoparticles: Structural, photoluminescence, and supercapacitor studies 芦荟辅助合成Dy3+掺杂锌铬铁矿纳米颗粒：结构、光致发光和超级电容器研究

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-17 DOI: 10.1016/j.physb.2026.418257

Priyanka M. , Vidya Y.S. , Manjunatha H.C. , Munirathnam R. , Manjunatha S. , Shivanna M. , Suman Kumar , Krishnakanth E.

In this study, Dysprosium-doped Zinc chromite nanoparticles (NPs) were synthesized via Exothermic Combustion Synthesis using

A l o e v e r a

extract as a green fuel. The calcined samples (500 °C, 3 h) were thoroughly characterized. X-ray diffraction confirmed a pure cubic spinel structure with crystallite size decreasing from 14.42 nm to 11.18 nm as Dy content increased. Morphological analysis revealed randomly shaped nanoparticles and nanorods. The optical band gap narrowed from 3.12 eV to 3.03 eV. Photoluminescence spectra (

λ_{e x}

= 275 nm) exhibited a strong emission at 567 nm, with concentration quenching beyond 5 mol%. Chromaticity and correlated color temperature analyses verified yellowish-green emission from Dy

^{3 +}

ions, suitable for indoor lighting. Electrochemical studies, including cyclic voltammetry, elucidated the redox behavior and electrode kinetics. The specific capacitance varied from 79.28 F/g to 114.34 F/g, depending on dopant concentration. These findings highlight Dy

^{3 +}

-doped ZnCr₂O₄ as a promising material for energy storage and display applications.

本研究以芦荟提取物为绿色燃料，采用放热燃烧合成法合成了掺杂镝的锌铬铁矿纳米颗粒（NPs）。焙烧样品（500°C, 3 h）进行了彻底的表征。x射线衍射证实为纯立方尖晶石结构，随着Dy含量的增加，晶粒尺寸从14.42 nm减小到11.18 nm。形态分析显示纳米颗粒和纳米棒的形状随机。光学带隙从3.12 eV缩小到3.03 eV。光致发光光谱（λex = 275 nm）在567 nm处表现出强发射，浓度在5 mol%以上猝灭。色度和相关色温分析证实了Dy3+离子的黄绿色发光，适合室内照明。电化学研究，包括循环伏安法，阐明了氧化还原行为和电极动力学。比电容随掺杂剂浓度的变化范围为79.28 ~ 114.34 F/g。这些发现强调了Dy3+掺杂ZnCr2O4是一种很有前途的能量存储和显示材料。

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引用次数: 0

Hydrothermal synthesis of ZnO:M (M = V, In, Al, Ga, and mg) nanoflowers for ultraviolet photodetector applications 紫外探测器用ZnO:M （M = V, In, Al, Ga, mg）纳米花的水热合成

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-17 DOI: 10.1016/j.physb.2026.418275

Zhaolin Yuan , Kuanxin Li , Zhiwen Xie , Shengyu You , Yu Xu

The state-of-the-art ultraviolet (UV) photodetectors can be extensively used in many important fields. The pristine ZnO UV photodetectors often exhibit low responsivity and slow response/recovery speed. In this paper, five metals (V, In, Al, Ga and Mg)-doped ZnO (ZnO:M) nanoflowers (NFs) were synthesized via a hydrothermal method, all the ratios of metal to Zn were 1 atom%, the samples were then characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS), respectively. The results showed that all the samples exhibited flower-like structure, all the metallic elements (V, In, Al, Ga and Mg) were successfully doped into the ZnO lattice. Furthermore, five ZnO:M NFs were used to fabricate UV photodetectors, respectively. It can be found that all the devices present good response to 365 nm light. Of these devices, ZnO:V NFs UV photodetector had the highest responsivity, external quantum efficiency, photogenerated gain and detectivity, the values were 107.96A/W, 36769.57 %, 367.22, and 3.29 × 10¹³ Jones, respectively. The response times for V, Al, and Mg-doped ZnO NFs UV photodetectors were 6.96, 5.13 and 5.37 s, respectively. This work demonstrated that the ZnO:M NFs could be potential candidates for cost-efficient and high-performance UV photodetectors.

最先进的紫外探测器可以广泛应用于许多重要领域。原始的ZnO UV光电探测器通常表现出低响应率和慢响应/恢复速度。本文采用水热法制备了五种金属（V、In、Al、Ga和Mg）掺杂ZnO （ZnO:M）纳米花（NFs），金属与Zn的比例均为1原子%，并分别用x射线衍射（XRD）、扫描电镜（SEM）、透射电镜（TEM）和x射线光电子能谱（XPS）对样品进行了表征。结果表明，所有样品均呈花状结构，所有金属元素（V, In, Al， Ga和Mg）均成功掺杂到ZnO晶格中。此外，还分别用5种ZnO:M - NFs制备了紫外光电探测器。可以发现，所有器件对365 nm光都有良好的响应。其中ZnO:V NFs紫外探测器的响应率、外量子效率、光生增益和探测率最高，分别为107.96A/W、36769.57%、367.22和3.29 × 1013 Jones。V、Al和mg掺杂ZnO NFs紫外探测器的响应时间分别为6.96、5.13和5.37 s。该研究表明，ZnO:M NFs可能是具有成本效益和高性能的紫外光电探测器的潜在候选者。

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引用次数: 0

Identification and monitoring platform for methanol adulteration in alcoholic beverages using porous silicon photonic structures: Possible implementation of AI platform 使用多孔硅光子结构的酒精饮料中甲醇掺假的识别和监测平台：AI平台的可能实现

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2026-01-16 DOI: 10.1016/j.physb.2026.418295

V. Castillo Gallardo , J.E. Frias-Castro , L.F. Ávalos-Ruiz , J. Campos Álvarez , J.F. Gómez Aguilar , V. Agarwal

The detection of methanol adulteration in alcoholic beverages remains a critical area of research due to its direct impact on public health and the well-being of the consumers. Methanol-contaminated alcohol can be identified via physical or chemical methods. Although the most commonly used technique is gas/liquid chromatography, the involvement of expensive equipment and professionals for data acquisition and interpretation makes it relatively inaccessible for many producers. This study involves the design, synthesis, and application of porous silicon-based photonic structures with multiple resonance modes for distinguishing between various alcoholic beverages. The spectral differences in their optical response additionally allow the detection of methanol adulteration. Based on the spectral differences observed for each adulterated alcoholic beverage, pattern recognition played a vital role in substance classification by facilitating the identification of unique characteristics within large datasets. This project employed spectroscopic data from adulterated samples of various beverages to apply machine learning techniques for the classification of different types of alcoholic drinks. The machine learning models achieved accuracies surpassing 90 % in the estimation of alcohol level in methanol adulterated beverages. The artificial neural network attained an accuracy exceeding 98 % on the test set, showcasing its capability in classifying the beverages on the basis of the experimental spectroscopic data.

酒精饮料中甲醇掺假的检测仍然是一个重要的研究领域，因为它直接影响到公众健康和消费者的福祉。甲醇污染的酒精可通过物理或化学方法进行鉴定。虽然最常用的技术是气相/液相色谱法，但由于需要昂贵的设备和专业人员进行数据采集和解释，许多生产商相对难以使用该技术。本研究涉及多共振模式多孔硅基光子结构的设计、合成和应用，用于区分不同的酒精饮料。其光学响应的光谱差异还允许检测甲醇掺假。基于观察到的每种掺假酒精饮料的光谱差异，模式识别在物质分类中发挥了至关重要的作用，有助于在大型数据集中识别独特的特征。该项目利用各种饮料掺假样品的光谱数据，应用机器学习技术对不同类型的酒精饮料进行分类。机器学习模型在估计甲醇掺假饮料中的酒精含量方面达到了超过90%的精度。人工神经网络在测试集上获得了超过98%的准确率，显示了其基于实验光谱数据对饮料进行分类的能力。

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