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High-sensitivity NH₃ sensors based on spray-pyrolyzed cadmium-modified tin oxide thin films 基于喷雾热解镉改性氧化锡薄膜的高灵敏度NH₃传感器
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-22 DOI: 10.1007/s00339-025-09206-2
Mahalingam Sakthivel Revathy, Rajan Jansi, Lakshmanan Muthulakshmi, Arokia Anto Jeffery, Vanga Ganesh, Majahar Hussain Mahammd

Cd-doped SnO₂ thin films were deposited by nebulizer spray pyrolysis and systematically investigated for their structural, optical, morphological, and gas sensing characteristics. X-ray diffraction confirmed the tetragonal rutile phase with crystallite sizes in the range of 65–76 nm. Optical transmission studies showed a direct band gap between 4.11 and 4.07 eV, with slight variations due to Cd incorporation. Surface morphology observed by FESEM revealed that doping strongly influenced grain structure: while pure SnO₂ exhibited compact grains, the 3 wt% Cd-doped film displayed a chain-like nanostructure with enhanced porosity and uniform grain distribution. Gas sensing measurements demonstrated that the 3 wt% Cd-doped film exhibited the best response toward NH₃ at room temperature, with a gas response of 1470 % for 250 ppm, a rapid response time of 6.5 s, and a recovery time of 9.1 s. The improved sensing properties were attributed to the synergy between Cd-induced oxygen vacancies, increased surface area, and the chain-like morphology, which provided abundant active sites for adsorption. Furthermore, the sensor’s response was strongly influenced by relative humidity. Higher RH levels facilitated water dissociation into hydroxyl groups, which interacted with adsorbed oxygen species and enhanced NH₃ adsorption, leading to a monotonic increase in response. These results demonstrate that controlled Cd doping optimizes the structure and surface chemistry of SnO₂ thin films, making the 3 wt% composition a promising candidate for room-temperature ammonia detection in humid environments.

采用雾化器喷雾热解法制备了掺杂镉的sno2薄膜,并对其结构、光学、形态和气敏特性进行了系统的研究。x射线衍射证实为方形金红石相,晶粒尺寸在65 ~ 76 nm之间。光传输研究表明,直接带隙在4.11和4.07 eV之间,由于Cd的掺入而略有变化。FESEM对薄膜表面形貌的观察表明,掺杂对薄膜的晶粒结构有明显的影响:纯sno2薄膜的晶粒致密,而掺杂3wt % cd的薄膜呈现链状纳米结构,孔隙度增强,晶粒分布均匀。气敏测量表明,3wt %掺杂cd的薄膜在室温下对NH₃表现出最好的响应,在250 ppm时,气体响应为1470%,快速响应时间为6.5 s,恢复时间为9.1 s。传感性能的提高是由于cd诱导的氧空位、表面积的增加和链状形貌的协同作用,从而为吸附提供了丰富的活性位点。此外,传感器的响应受到相对湿度的强烈影响。较高的RH水平促进了水解离成羟基,羟基与吸附的氧相互作用,增强了NH₃的吸附,导致反应单调增加。这些结果表明,可控的镉掺杂优化了SnO₂薄膜的结构和表面化学性质,使3wt %的SnO₂薄膜成为潮湿环境下室温氨检测的有希望的候选材料。
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引用次数: 0
Microfluidics-based ZnO 3D-hierarchical nanostructures for stable and high efficiency perovskite solar cells 基于微流控的稳定高效钙钛矿太阳能电池的ZnO三维分层纳米结构
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-22 DOI: 10.1007/s00339-025-09224-0
Khalid Mahmood, Arshi Khalid, Syed Waqas Ahmad, Saqib Sabir

Microfluidics-based reactors allow governable synthesis of micro-/nanostructures for an extensive range of applications from materials science, bioengineering to drug delivery. In the current study, hierarchical ZnO nanostructures composed of nanosheets are firstly produced using a viable and rapid method without the use of any template or surfactant via a microfluidic reactor in a continuous motion. This method represents a clear and systematic route to manufacture the 3D ZnO nanostructures compared to the conventionally used synthesis schemes. Perovskite solar cells (PSCs) are fabricated using the produced 3D ZnO nanosheets for the first time ever. The PSCs based on ZnO nanosheets produces the average power conversion efficiency (PCEavg) of 15.87% and the maximum power conversion efficiency (PCEmax) of 18.97%, thanks to unique nanostructure which increases the chances of improved perovskite penetration into it and rapid electron transport. Conversely, devices based on ZnO nanoparticles lack in performance (PCEavg = 11.14%) compared to 3D ZnO nanosheets owing to their zero dimensional geometry and slow electron transport.

基于微流体的反应器允许可控的微/纳米结构合成,广泛应用于材料科学,生物工程和药物输送。本研究首次采用一种可行且快速的方法,在不使用任何模板或表面活性剂的情况下,通过微流控反应器连续运动制备了由纳米片组成的层次化ZnO纳米结构。与传统的合成方法相比,该方法为制备三维ZnO纳米结构提供了一条清晰、系统的途径。钙钛矿太阳能电池(PSCs)是有史以来第一次使用生产的三维ZnO纳米片制成的。基于ZnO纳米片的PSCs的平均功率转换效率(PCEavg)为15.87%,最大功率转换效率(PCEmax)为18.97%,这得益于其独特的纳米结构,提高了钙钛矿对其的渗透能力和快速的电子传递能力。相反,与3D ZnO纳米片相比,基于ZnO纳米颗粒的器件由于其零维几何形状和缓慢的电子传递而缺乏性能(PCEavg = 11.14%)。
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引用次数: 0
Tuning mechanical and microstructural properties of Bi-2212 ceramics through optimal Nd³⁺ substitution: findings from experimental and theoretical approach 通过优化Nd³+替代调整Bi-2212陶瓷的力学和微观结构性能:实验和理论方法的发现
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-22 DOI: 10.1007/s00339-025-09216-0
B. Akkurt, A. S. Erturk, A. T. Ulgen, Y. C. Demir, M. B. Turkoz, U. Erdem, G. Yildirim
<div><p>This study systematically investigates the mechanical and structural behavior of Nd<sup>3+</sup>-substituted Bi<sub>2.0-x</sub>Nd<sub>x</sub>Sr<sub>2.0</sub>Ca<sub>1.0</sub>Cu<sub>2.0</sub>O<sub>y</sub> ceramics synthesized by the conventional solid-state reaction method using combined experimental microhardness (H<sub>v</sub>) testing and theoretical modeling approaches. Incorporating Nd ions into the Bi-2212 lattice enhances microstructural stability, grain boundary coupling, and crystallographic coherence, with optimal mechanical performance at x = 0.01. Complementary SEM, XRD, and EDX analyses confirm the correlation between improved surface morphology, crystallinity, and enhanced mechanical performance. EDX results further verified the successful replacement of Bi<sup>3+</sup> for Nd<sup>3+</sup> and compositional uniformity within the Bi-2212 lattice, supporting the structural integrity and hardness improvements. At this concentration, strong ionic and partial covalent bonding interactions between Nd<sup>3+</sup> and the host lattice facilitate charge compensation, defect accommodation, and densification, resulting in superior Vickers hardness and resistance to deformation. As for the mechanical characterization examination, indentation behavior reveals classical Indentation Size Effect (ISE) behavior through all the synthesized compounds, with peak load resistance at x = 0.01 and marked degradation at higher dopant levels due to increased porosity, grain boundary decoupling, and strain localization. Bulk density (ρ) measurements correlate strongly with microhardness trends, confirming the interdependence of atomic packing, structural integrity, porosity, intergranular coherence, and mechanical durability. Accordingly, the optimal mechanical and structural performance is observed at x = 0.01, corresponding to the highest measured ρ value of 5.99 g/cm<sup>3</sup> and H<sub>v</sub> of 0.498 GPa at 0.295 N. These results indicate that Nd³⁺ substitution at this level promotes enhanced densification and grain boundary cohesion, leading to a defect-minimized microstructure with superior resistance to indentation and load-induced plastic deformation. Beyond this doping level, excessive Nd incorporation deteriorates crystallinity and promotes porosity formation, resulting in reduced mechanical durability and structural integrity. Consequently, the material exhibits increased susceptibility to load-induced plastic deformation and crack propagation along grain boundaries. At the highest substitution level, H<sub>v</sub> decreases from 0.333 GPa to 0.280 GPa across the same range of applied loads, confirming the adverse impact of over-doping on mechanical performance. A near-linear relationship between ρ and H<sub>v</sub> is observed, validating bulk density as a predictive metric for key mechanical design features in Bi-2212 systems. Additionally, key mechanical performance metrics, including load-independent H<sub>v</sub> results, are analyz
本研究采用实验显微硬度(Hv)测试和理论建模相结合的方法,系统研究了传统固相反应法制备的Nd3+取代Bi2.0-xNdxSr2.0Ca1.0Cu2.0Oy陶瓷的力学和结构行为。在Bi-2212晶格中加入Nd离子增强了微观结构稳定性、晶界耦合和晶体学相干性,在x = 0.01时力学性能最佳。SEM、XRD和EDX分析证实了表面形貌、结晶度和机械性能的改善之间的相关性。EDX结果进一步验证了Bi3+被Nd3+成功取代,以及Bi-2212晶格内的成分均匀性,支持了结构完整性和硬度的提高。在此浓度下,Nd3+与基体晶格之间的强离子键和部分共价键相互作用促进了电荷补偿、缺陷调节和致密化,从而获得了优异的维氏硬度和抗变形能力。在力学表征方面,所有合成化合物的压痕行为都表现出经典的压痕尺寸效应(ISE)行为,在x = 0.01处具有峰值负载阻力,并且在较高掺杂水平下由于孔隙度增加、晶界解耦和应变局部化而明显降解。体积密度(ρ)测量与显微硬度趋势密切相关,证实了原子堆积、结构完整性、孔隙度、晶间相干性和机械耐久性之间的相互依赖性。因此,在x = 0.01时观察到最佳的力学和结构性能,对应于在0.295 n时测量到的最高ρ值为5.99 g/cm3, Hv为0.498 GPa。这些结果表明,在该水平上的Nd³取代可以增强致密化和晶界内聚性,从而获得缺陷最小化的微观结构,具有优异的抗压痕和抗载荷引起的塑性变形能力。超过这个掺杂水平,过量的Nd掺入会恶化结晶度,促进孔隙形成,导致机械耐久性和结构完整性降低。因此,材料表现出对载荷引起的塑性变形和沿晶界扩展的敏感性增加。在最高取代水平下,在相同的载荷范围内,Hv从0.333 GPa下降到0.280 GPa,证实了过量掺杂对机械性能的不利影响。观察到ρ和Hv之间的近似线性关系,验证了体积密度作为Bi-2212系统中关键机械设计特征的预测指标。此外,利用已建立的理论模型,在平台极限(PL)区域内分析了nd取代Bi-2212结构的关键力学性能指标,包括与载荷无关的Hv结果,以阐明结构-性能关系,并预测实际应用条件下的使用寿命和材料可靠性。对比分析表明,压痕诱发裂纹(IIC)模型能最准确地描述掺杂体系的力学响应。实验结果和理论结果强调了稀土取代在最佳浓度水平下在调整晶格内聚力、缺陷容忍度和机械弹性方面的关键作用,并确定了Nd/ bi取代Bi-2212作为高性能结构陶瓷应用的有前途的候选者的x = 0.01。
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引用次数: 0
On the wave propagation properties of the rotation triangular lattice 旋转三角形晶格的波传播特性
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-22 DOI: 10.1007/s00339-025-09219-x
Pengcheng Zhao, Zhigang Wang, Xiaojun Zhu, Xiaolin Dang, Chengxiang Zheng

Vibration suppression has a great interest in acoustic or elastic metamaterial engineering which has a wide range of potential applications and requires the use of lightweight structures and materials to achieve multiple band gaps with multiple generation mechanisms. This paper proposes a rotational triangular lattice composed of the external ligaments of a triangular lattice and a rotational triangle, and explores different band gaps and their generation mechanisms. The effect of the geometric parameters, such as the rotation angle and the slenderness ratio, on the band gap range was considered. By comparing the elastic wave band gaps with the vibration transmission responses, the different band gap generation mechanisms of the rotating triangular lattice were verified. Adjusting the geometric parameters of the rotating triangular lattice, a wide band gap can be achieved, which is used to suppress the propagation of elastic waves. This work provides a new structural design that can achieve multiple band gaps with different generation mechanisms, which is conducive to solving the vibration suppression problem of lightweight passive structures.

振动抑制在声学或弹性超材料工程中具有很大的兴趣,具有广泛的潜在应用,并且需要使用轻质结构和材料以多种产生机制实现多个带隙。本文提出了一种由三角形晶格和旋转三角形的外韧带组成的旋转三角形晶格,并探讨了不同带隙及其产生机制。考虑了旋转角度和长细比等几何参数对带隙范围的影响。通过对比弹性波带隙与振动传输响应,验证了旋转三角晶格不同带隙产生机理。通过调整旋转三角形晶格的几何参数,可以获得较宽的带隙,从而抑制弹性波的传播。本工作提供了一种新的结构设计,可以实现不同产生机制的多个带隙,有利于解决轻量化被动结构的减振问题。
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引用次数: 0
Effects of various monoethanolamine-modified precursors on the orientation, thickness, and transition of LaNiO3 thin films 不同单乙醇胺修饰前驱体对LaNiO3薄膜取向、厚度和过渡的影响
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-22 DOI: 10.1007/s00339-025-09237-9
Changsuo Yu, Chaodong Li, Fuqiang Qiu, Xianwu Tang

Thick, preferentially oriented, and highly conductive LaNiO3 thin films were successfully grown on silicon wafers through a low-cost chemical solution deposition process. The use of monoethanolamine (MEA) to modify the precursors is crucial for controlling the film thickness, orientation, and electronic properties. When the molar ratio of MEA to LaNiO3 is 1, the film achieves over 98% c-axis preferred orientation and increased thickness under the same deposition conditions. For ratios greater than zero but less than 0.5, the derived films are randomly oriented, even after rapid thermal annealing. Although all LaNiO3 films display similar electronic transition characteristics, those deposited with MEA show a lower resistivity of about 0.7 mΩ·cm, compared to 1.41 mΩ·cm for films without MEA at room temperature. The conductivity first increases and then decreases as MEA content rises, due to the combined effects of reduced grain boundaries and altered orientation. BiFeO3 was also fabricated on the 180 µl-MEA modified-LaNiO3 electrode, exhibiting a similar (00l) preferred orientation and strong ferroelectric properties. Additionally, optimizing the MEA dosage will aid in developing thick and well-oriented LNO electrodes for silicon-compatible functional devices with the sol-gel.

通过低成本的化学溶液沉积工艺,在硅片上成功地生长出厚的、优先取向的、高导电性的LaNiO3薄膜。利用单乙醇胺(MEA)修饰前驱体对于控制薄膜的厚度、取向和电子性能至关重要。当MEA与LaNiO3的摩尔比为1时,在相同的沉积条件下,薄膜获得了98%以上的c轴优先取向和增加的厚度。对于大于零但小于0.5的比率,即使经过快速热退火,导出的薄膜也是随机取向的。虽然所有LaNiO3薄膜都表现出相似的电子跃迁特征,但在室温下,经MEA沉积的LaNiO3薄膜的电阻率约为0.7 mΩ·cm,而未经MEA沉积的LaNiO3薄膜的电阻率为1.41 mΩ·cm。随着MEA含量的增加,电导率先升高后降低,这是由于晶界减小和取向改变的共同作用。在180µl-MEA修饰的lanio3电极上制备了BiFeO3,具有相似的(00l)择优取向和强铁电性能。此外,优化MEA用量将有助于开发用于硅相容功能器件的厚且定向良好的LNO电极。
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引用次数: 0
Investigation of the half-Heusler MnZrTe surfaces and the MnZrTe/AlSb interface: electronic structure, half-metallicity, and magnetic characteristics 半heusler MnZrTe表面和MnZrTe/AlSb界面的研究:电子结构、半金属丰度和磁性
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-19 DOI: 10.1007/s00339-025-09189-0
H. Abdulhussein Ibrahim, Jabbar M. Khalaf Al-zyadi

In this paper, first principles studies using density functional theory were conducted to examine the electronic, half-metallic, and magnetic characteristics of the bulk on MnZrTe (111) and (001) surfaces of the half-Heusler alloy and the MnZrTe/AlSb (111) interfaces. The MnZrTe combination exhibited half-metallic ferromagnetism, showing an energy gap of 1.16 eV at an equilibrium lattice constant of 6.20 Å. The Slater-Pauling rule was used to determine the total magnetic moment, yielding a value of 1µB. The findings also demonstrated that the Zr- and Te-terminated (111) surfaces fully preserve the bulk’s half-metallicity, but this characteristic is not observed in Mn-terminated (111), ZrTe-terminated (001), and Mn-terminated (001) surfaces. In addition, the Zr-Sb (111) interface preserved its half-metallic feature, exhibiting complete spin polarization (100%), while the Zr-Al contact of (111) MnZrTe/AlSb forfeited this characteristic. Relative to the total bulk, the atomic magnetic moments of Zr atoms diminish at the Zr-Al and Zr-Sb interfaces, while the magnetic moments of Al atoms at the Zr-Al (111) and Sb atoms at the Zr-Sb (111) interfaces are augmented. The half Heusler MnZrTe alloy is a promising spin filter and spin source for spintronic devices, as our results illustration overall.

本文利用密度泛函理论对半heusler合金MnZrTe(111)和(001)表面和MnZrTe/AlSb(111)界面上的块体的电子、半金属和磁性进行了第一性原理研究。MnZrTe组合具有半金属铁磁性,平衡晶格常数为6.20 Å,能隙为1.16 eV。使用Slater-Pauling规则确定总磁矩,结果为1µB。研究结果还表明,Zr端和te端(111)表面完全保留了体块的半金属性,但在mn端(111)、zrte端(001)和mn端(001)表面没有观察到这种特征。此外,Zr-Sb(111)界面保持了半金属特征,呈现出完全的自旋极化(100%),而(111)MnZrTe/AlSb的Zr-Al界面则丧失了这一特征。相对于总体积,Zr原子在Zr-Al和Zr-Sb界面处的原子磁矩减小,而Al原子在Zr-Al(111)和Sb原子在Zr-Sb(111)界面处的原子磁矩增大。半Heusler MnZrTe合金是一种很有前途的自旋滤波器和自旋源,用于自旋电子器件。
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引用次数: 0
Effect of a site substituents in AFe2O4 (A = Co, Ni, Fe, Mn) on structural, dielectric and magnetic properties 位取代基对AFe2O4 (a = Co, Ni, Fe, Mn)结构、介电和磁性能的影响
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-19 DOI: 10.1007/s00339-025-09161-y
Muhammad Hamza Maqbool, Ali Raza, Muhammad Aleem, Shehzad Haider

In this study, we synthesized AFe2O4 (A = Co, Ni, Fe, Mn) ferrites using the hydrothermal technique with urea, glycine and ammonium chloride as the fuel agents. The hydrothermal synthesis took place in an autoclave for 6 h at 190 °C. For characterization, the resulting pellets were calcined for 2 h at 600 °C and sintered for 1 h at 400 °C. X-ray diffraction (XRD) analysis showed that all samples had a face centered cubic (fcc) structure. The samples were investigated for surface morphology using a scanning electron microscope (SEM) which showed that morphology and grain size are affected by A-site substitution. Energy Dispersive X-ray (EDX) spectroscopy verified the elemental configuration and closely agreed with the expected empirical formula. The dielectric characteristics were studied using a precision impedance tester, where we scanned the impedance, tangent loss, AC conductivity, dielectric constant and their variations with frequency. The vibrating sample magnetometer (VSM) was used for measuring the magnetic parameter, we determined that the hysteresis loops were indicative of the formation of ferrimagnetic nanoparticles. We concluded that the A-site substitution had a noticeable influence on the structural, dielectric and magnetic parameters of the AFe2O4 ferrites.

本研究以尿素、甘氨酸和氯化铵为燃料,采用水热法合成了AFe2O4 (A = Co, Ni, Fe, Mn)铁氧体。水热合成在190℃的高压釜中进行6 h。为了进行表征,所得到的球团在600℃下煅烧2小时,在400℃下烧结1小时。x射线衍射(XRD)分析表明,所有样品均具有面心立方(fcc)结构。用扫描电镜观察了样品的表面形貌,发现a位取代对样品的形貌和晶粒尺寸都有影响。能量色散x射线(EDX)光谱验证了元素构型,与预期的经验公式基本一致。采用精密阻抗测试仪研究了材料的介电特性,扫描了材料的阻抗、正切损耗、交流电导率、介电常数及其随频率的变化。用振动样品磁强计(VSM)测量磁性参数,确定磁滞回线表明铁磁性纳米颗粒的形成。结果表明,a位取代对AFe2O4铁氧体的结构、介电和磁性参数有显著影响。
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引用次数: 0
Spectroscopic and computational evaluation of 4-chlorochalcone as a promising therapeutic candidate against cervical cancer 4-氯查尔酮作为宫颈癌有前途的治疗候选物的光谱和计算评价
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-19 DOI: 10.1007/s00339-025-09177-4
R. Sangeetha, R. Senthil Kumar, Nachammai Kathiresan, T. Rajesh Kumar, Pandi Sangavi, Langeswaran Kulanthaivel

Cervical cancer continues to be a major cause of cancer mortality among women globally, primarily because of continued infection with high-risk human papillomavirus (HPV) types In this research, 4-chlorochalcone was act as a potential inhibitor to treat cervical cancer using both spectroscopic and computational methods. Molecular geometry and electronic properties were determined by FT-IR, Raman, and UV–Vis spectroscopy, along with quantum chemical descriptors such as HOMO–LUMO energy gap, chemical hardness, softness, chemical potential, electronegativity, and electrophilicity, and reported to exhibit excellent chemical stability and reactivity. Molecular docking experiments with HPV E6 and E7 oncogenic proteins showed strong binding affinities, which were also validated by non-bonded interaction profiling and molecular dynamics simulations, validating the stability and selectivity of the ligand–protein complexes at longer timescales. Overall, these results reveal 4-chlorochalcone as a lead compound in cervical cancer therapy and provide a computational rationale for further experimental validation and drug development.

宫颈癌仍然是全球妇女癌症死亡的主要原因,主要是因为高危人乳头瘤病毒(HPV)类型的持续感染。在本研究中,4-氯查尔酮被用作一种潜在的抑制剂,使用光谱和计算方法治疗宫颈癌。通过FT-IR,拉曼和UV-Vis光谱,以及HOMO-LUMO能隙,化学硬度,柔软度,化学势,电负性和亲电性等量子化学描述符确定了分子的几何和电子性质,并报告了优异的化学稳定性和反应性。与HPV E6和E7致癌蛋白的分子对接实验显示出较强的结合亲和力,非键合相互作用谱和分子动力学模拟也验证了这一点,验证了配体-蛋白复合物在更长的时间尺度上的稳定性和选择性。总的来说,这些结果揭示了4-氯查尔酮作为宫颈癌治疗的先导化合物,并为进一步的实验验证和药物开发提供了计算基础。
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引用次数: 0
Quantum rings in gapped graphene with topological disclinations: electronic structure and shannon entropy analysis 具有拓扑畸变的石墨烯中的量子环:电子结构和香农熵分析
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-19 DOI: 10.1007/s00339-025-09202-6
Allan R. P. Moreira, Abdelmalek Bouzenada, Mona Abdi, Quezia R. D. S. Moreira, Faizuddin Ahmed

We investigate the electronic properties of a two-dimensional quantum ring embedded in a gapped graphene layer containing a topological disclination, under the influence of a uniform magnetic field and an Aharonov-Bohm flux. In this case, the system is modeled within the framework of the Dirac equation for (spin-1/2) particles in a curved background, incorporating both a confinement potential and a non-Abelian gauge field induced by the disclination. Moreover, we have used the exact solutions of the Dirac spinor, from which the corresponding energy spectrum is derived analytically, showing the relation between the topological defect, magnetic fluxes, and the mass gap. To quantify the spatial distribution of the electronic states, we employ Shannon entropy, providing insights into the localization properties of the quasiparticle wavefunctions. In this context, our results illustrate how geometric deformation parameters and external fields collectively influence the energy levels (n) and informational content of quantum states in gapped graphene, offering potential applications in quantum devices and nanoscale electronics.

我们研究了在均匀磁场和Aharonov-Bohm通量的影响下,嵌入在含有拓扑畸变的间隙石墨烯层中的二维量子环的电子特性。在这种情况下,系统在弯曲背景下(自旋1/2)粒子的狄拉克方程的框架内建模,结合了约束势和由偏差引起的非阿贝尔规范场。此外,我们还利用狄拉克旋量的精确解,解析地导出了相应的能谱,显示了拓扑缺陷、磁通和质量间隙之间的关系。为了量化电子态的空间分布,我们使用香农熵,提供对准粒子波函数局域化特性的见解。在这种情况下,我们的研究结果说明了几何变形参数和外场如何共同影响缺口石墨烯中量子态的能级(n)和信息含量,为量子器件和纳米级电子学提供了潜在的应用。
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引用次数: 0
Physical mechanisms of carrier transport at the frictional interface of 3 C-SiC-Based tribovoltaic nanogenerator 碳硅基摩擦伏打纳米发电机摩擦界面载流子输运的物理机制
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-19 DOI: 10.1007/s00339-025-09223-1
Hongjian Li, Yuguang Luo, Hua Yuan, Tengxiao Xiongsong, Yangyang Liu, Guozhang Dai

The coupling of the tribovoltaic effect and photovoltaic effect (Tribo-Photovoltaic Effect) based on semiconductor dynamic heterojunctions represents an emerging mechanical energy harvesting strategy. Although tribovoltaic nanogenerators (TVNGs) have achieved numerous breakthroughs in the development of new materials and device fabrication, in-depth clarification of their physical mechanisms and promotion to practical applications still require extensive exploration. In this study, high-quality 3C-SiC microcrystalline thin films were successfully prepared via chemical vapor deposition (CVD), and a Cu/3C-SiC dynamic Schottky junction was constructed to enable synergistic harvesting of mechanical energy and ultraviolet light. Compared with commercial 4 H-SiC, the 3C-SiC-based TVNG exhibits higher triboelectric current. Typically, under 360 nm illumination with a power intensity of 2 mW/cm², the output current of the 3C-SiC-based TVNG reaches 18.75 µA, representing a 2.35-times enhancement over the dark environment. Furthermore, by deeply investigating the dominant mechanisms of interfacial and built-in electric fields in the tribovoltaic effect, the theoretical possibility of interfacial electric field existence was verified. This work confirms that CVD-processed 3C-SiC thin films possess significant application potential and broad development prospects in the field of high-performance optoelectronic devices.

基于半导体动态异质结的摩擦伏打效应(tribovoltaic effect)和光伏效应(photovoltaic effect)的耦合是一种新兴的机械能收集策略。虽然摩擦伏打纳米发电机在新材料开发和器件制造方面取得了诸多突破,但对其物理机制的深入阐明和实际应用的推广仍需大量探索。在本研究中,通过化学气相沉积(CVD)成功制备了高质量的3C-SiC微晶薄膜,并构建了Cu/3C-SiC动态肖特基结,实现了机械能和紫外光的协同收获。与商用4h - sic相比,3c - sic基TVNG具有更高的摩擦电流。通常,在360 nm照明下,功率强度为2 mW/cm²,基于3c - sic的TVNG输出电流达到18.75µa,比黑暗环境增强2.35倍。此外,通过深入研究摩擦伏效应中界面电场和内置电场的主导机制,验证了界面电场存在的理论可能性。本研究证实了cvd加工的3C-SiC薄膜在高性能光电器件领域具有显著的应用潜力和广阔的发展前景。
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Applied Physics A
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