Micro and Nanostructures最新文献_第2页

Graphitic carbon nitride coupled Zn–Fe doped NiCo2O4 nanocomposite: Structural, ferroelectric, dielectric, electrical, optical and solar-light-driven photocatalytic properties 石墨氮化碳偶联Zn-Fe掺杂NiCo2O4纳米复合材料：结构、铁电、介电、电学、光学和太阳能驱动光催化性能

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-02-04 DOI: 10.1016/j.micrna.2026.208590

Aqsa Naz , Ismat Bibi , Munawar Iqbal , Farzana Majid , Muhammad Aamir , Qasim Raza , Gul Fatima , Wissem Mnif , Arif Nazir , Norah Alwadai

The development of efficient photocatalysts through simple and sustainable synthesis routes has become a major research priority in recent years. In the present investigation, graphitic carbon nitride coupled Zn–Fe Doped NiCo₂O₄ composites were synthesized via a co-precipitation route and their ferroelectric, optical, dielectric and photocatalytic features were investigated. X-ray diffraction (XRD) analysis revealed the formation of a single-phase cubic spinel structure of substituted NiCo₂O₄/g-C₃N₄ with average crystallite size in the 31–39 nm range. The ferroelectric properties, remnant polarization (Pr), saturation polarization (Ps) and coercivity (Er) were increased with the dopant content. The dielectric loss was decreased and the dielectric constant was increased in nanocomposites with dopant contents. The nanocomposite also revealed higher AC conductivity. The NCZF3/g-C₃N₄ (x and y = 0.25) showed higher current density than pure NCO/g-C₃N₄. The PL study revealed that highly doped sample showed the h⁺-e^- recombination low. The bandgap declines from 2.1 to 1.5 eV in highly doped nanocomposite. The photocatalytic activity was assessed by degrading the Acid black 1 (AB1) dye under visible light and NCZF3/g-CN showed the best photocatalytic performance (90%) as compared to NCO/g-CN (63%). The reusability of nanocomposites was studied by recycling the nanocomposite by magnetic separation, which showed promising stability. The NiCo₂O₄/g-C₃N₄ is active under solar light irradiation which could have cost-effective applications for wastewater treatment.

通过简单和可持续的合成路线开发高效的光催化剂已成为近年来研究的重点。本研究采用共沉淀法合成了氮化碳石墨偶联Zn-Fe掺杂NiCo2O4复合材料，并对其铁电、光学、介电和光催化性能进行了研究。x射线衍射（XRD）分析表明，取代NiCo2O4/g-C3N4形成了一种平均晶粒尺寸为31 ~ 39 nm的单相立方尖晶石结构。铁电性能、残余极化（Pr）、饱和极化（Ps）和矫顽力（Er）随掺杂量的增加而增加。掺杂量的增加降低了复合材料的介电损耗，提高了复合材料的介电常数。纳米复合材料还显示出较高的交流电导率。NCZF3/g-C3N4 （x和y = 0.25）的电流密度高于纯NCO/g-C3N4。PL研究表明，高掺杂样品的h+-e-复合较低。高掺杂纳米复合材料的带隙从2.1 eV下降到1.5 eV。通过在可见光下降解酸性黑1 （AB1）染料来评价其光催化活性，NCZF3/g-CN的光催化性能为90%，NCO/g-CN的光催化性能为63%。通过磁分离回收纳米复合材料，研究了纳米复合材料的可重复使用性，表明其具有良好的稳定性。NiCo2O4/g-C3N4在太阳光照射下具有活性，可用于污水处理。

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引用次数: 0

Gas sensors optimization design by Pd- and Pt-doped Janus-HfSSe monolayer for industrial emission: A DFT study 工业排放用掺杂Pd和pt的Janus-HfSSe单层气体传感器优化设计：DFT研究

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-02-03 DOI: 10.1016/j.micrna.2026.208592

Wei Xie , Nan Liu , Hao Chen , Tianyan Jiang

Developing high-performance sensors for hazardous hydrogen fluoride (HF) gas is critical for industrial safety. In this study, we systematically investigate the gas-sensing properties of Pd- and Pt-doped Janus HfSSe monolayers towards HF and interfering gases (SO2, NO, NO2) using density functional theory (DFT). Our calculations reveal that transition metal doping significantly enhances the sensing performance of the inert intrinsic HfSSe by introducing d-orbital active sites near the Fermi level and effectively modulating the electronic structure. Notably, Pt@HfSSe exhibits the most superior sensing performance with a high sensitivity of 5.13% towards HF, driven by substantial work function changes. Although Pt@HfSSe shows strong chemisorption for both HF and NO, competitive adsorption simulations uncover a decisive site-blocking effect: pre-adsorbed HF generates a strong repulsive potential (+4.815 eV) against NO. This confirms Pt@HfSSe as a highly selective, dedicated HF sensor rather than a dual-gas sensor. While the strong adsorption (Eads = −0.561 eV) leads to a relatively long recovery time (381 s) at room temperature, this can be mitigated by moderate heating. These findings provide theoretical guidance for designing specific, high-sensitivity HF gas sensors based on functionalized Janus HfSSe.

开发高性能的有害氟化氢气体传感器对工业安全至关重要。本研究利用密度泛函理论（DFT）系统研究了掺杂Pd和pt的Janus HfSSe单层膜对HF和干扰气体（SO2， NO, NO2）的气敏特性。我们的计算表明，过渡金属掺杂通过在费米能级附近引入d轨道活性位点和有效地调制电子结构，显著提高了惰性本征HfSSe的传感性能。值得注意的是，Pt@HfSSe在功函数变化的驱动下，对HF的灵敏度高达5.13%，表现出最优越的传感性能。虽然Pt@HfSSe对HF和NO都有很强的化学吸附作用，但竞争性吸附模拟揭示了决定性的位点阻断效应：预吸附的HF对NO产生很强的排斥电位（+4.815 eV）。这证实Pt@HfSSe是一种高度选择性的专用高频传感器，而不是双气体传感器。虽然强吸附（Eads = - 0.561 eV）导致室温下相对较长的恢复时间（381 s），但可以通过适度加热来缓解。这些研究结果为设计基于功能化Janus HfSSe的高灵敏度高频气体传感器提供了理论指导。

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引用次数: 0

Indium oxide (In2O3) gas sensors - An insight study 氧化铟（In2O3）气体传感器-一项深入研究

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-02-03 DOI: 10.1016/j.micrna.2026.208586

Sathish Sugumaran

The paper presents a comprehensive investigation of indium Oxide (In₂O₃) gas sensors, emphasizing the material properties and the optimization of key parameters governing gas-sensing characteristics to achieve enhanced sensing performance. This paper infers the significance of preparation methods and optimized conditions of pure In₂O₃ and its nanocomposites/heterostructures, demonstrating their superior characteristics for sensing a wide range of toxic and non-toxic gases. The paper highlights the advantages, drawbacks, and challenges involved in In₂O₃ gas sensor fabrication, and discusses future prospects along with potential strategies in detail.

本文对氧化铟（In2O3）气体传感器进行了全面的研究，强调了材料性能和控制气敏特性的关键参数的优化，以实现增强的传感性能。本文推断了纯In2O3及其纳米复合材料/异质结构的制备方法和优化条件的意义，展示了其在广泛的有毒和无毒气体传感方面的优越特性。本文重点介绍了In2O3气体传感器制造的优点、缺点和挑战，并详细讨论了未来的前景和潜在的策略。

引用次数: 0

CO2 adsorption on ZIF-8 powder: Combined experimental and theoretical study with SPR sensor integration ZIF-8粉体对CO2的吸附：SPR传感器集成的实验与理论结合研究

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-02-03 DOI: 10.1016/j.micrna.2026.208599

Abdelhak Dhibi , Jabir Hakami , Chaker Briki , Nordin Felidj , Nadia Djaker

This investigation introduces an innovative synergy between advanced statistical physics modeling and surface plasmon resonance (SPR) sensor design, enabling enhanced analysis and real-time detection of CO₂ adsorption on ZIF-8 powder. To this end, a sophisticated monolayer adsorption model rooted in statistical physics was applied to fit and interpret experimental pressure-composition-temperature (PCT) isotherms reported in the literature [12], acquired at temperatures of 25 °C, 45 °C, 60 °C, and 80 °C. From the model fitting, key thermodynamic and microscopic parameters were extracted, including the receptor site density (N), the number of CO₂ molecules adsorbed per site (n), and the half-saturation pressure (P_hs). The temperature-dependent evolution of these parameters offers valuable insights into the adsorption mechanism and the nature of CO₂-ZIF-8 interactions. Furthermore, the adsorption energy was determined, providing a quantitative assessment of the interaction strength and adsorption affinity of the system. Based on this statistical approach, we developed an application to detect the quantity of CO₂ adsorbed using a surface plasmon resonance (SPR) sensor. Accordingly, the sensitivity of the proposed SPR sensor was evaluated under varying temperature and pressure conditions, highlighting its potential for practical gas sensing applications.

本研究引入了先进的统计物理建模和表面等离子体共振（SPR）传感器设计之间的创新协同作用，从而增强了对ZIF-8粉末上CO2吸附的分析和实时检测。为此，基于统计物理的复杂单层吸附模型被应用于拟合和解释文献b[12]中在25°C、45°C、60°C和80°C下获得的实验压力-成分-温度（PCT）等温线。从模型拟合中提取了关键的热力学和微观参数，包括受体位点密度(N)、每个位点吸附的CO2分子数(N)和半饱和压力（ph）。这些参数的温度依赖演化为CO2-ZIF-8的吸附机制和相互作用的性质提供了有价值的见解。进一步测定了吸附能，定量评价了体系的相互作用强度和吸附亲和力。基于这种统计方法，我们开发了一种使用表面等离子体共振（SPR）传感器检测CO2吸附量的应用程序。因此，在不同温度和压力条件下评估了所提出的SPR传感器的灵敏度，突出了其实际气体传感应用的潜力。

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引用次数: 0

Asymmetric dual-dielectric design for enhanced performance in armchair phosphorene nanoribbon TFETs toward low-power nanoelectronic applications 面向低功耗纳米电子应用的扶手型磷烯纳米带tfet的非对称双介电设计

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-02-01 DOI: 10.1016/j.micrna.2026.208587

H. Shamloo, A. Yazdanpanah Goharrizi

Armchair phosphorene nanoribbon tunnel field-effect transistors (APNR TFETs) are promising candidates for energy-efficient, high-speed nanoelectronics due to their favorable one-dimensional quantum transport properties and tunable bandgap. In this study, we introduce an asymmetric dual-dielectric gate configuration (K_Left = 3.9, K_Right = 16) to enhance APNR TFET performance, benchmarking it against uniform low-κ (3.9) and high-κ (16) designs. Quantum transport simulations demonstrate that the proposed asymmetric configuration achieves a high ON-state current (I_ON = 1.02 × 10⁻⁶ A), an ultra-low OFF-state current (I_OFF = 1.19 × 10⁻²² A), and significantly suppresses ambipolar leakage. The device delivers an ON/OFF current ratio of 8.57 × 10¹⁵ and a subthreshold swing of 54 mV/dec surpassing the thermionic limit of conventional MOSFETs. Furthermore, it exhibits an intrinsic switching delay of 5 fs/nm, a power-delay product of 3.5 eV/nm, and an average carrier velocity of 7 × 10⁵ m/s. These results highlight the dual-dielectric APNR TFET as a high-performance, low-power candidate for next-generation nanoelectronic devices. Prospects for further optimization include integration with multi-gate architectures and advanced dielectric engineering.

扶手椅型磷烯纳米带隧道场效应晶体管（APNR tfet）由于其良好的一维量子输运特性和可调谐的带隙而成为节能、高速纳米电子学的有希望的候选者。在本研究中，我们引入了非对称双介质栅极配置（KLeft = 3.9, KRight = 16）来提高APNR TFET的性能，并将其与均匀的低κ(3.9)和高κ(16)设计进行了基准测试。量子输运模拟表明，所提出的非对称结构实现了高导通电流（ION = 1.02 × 10−6 a）和超低关断电流（IOFF = 1.19 × 10−22 a），并显著抑制了双极泄漏。该器件的ON/OFF电流比为8.57 × 1015，亚阈值摆幅为54 mV/dec，超过了传统mosfet的热离子极限。此外，它的固有开关延迟为5 fs/nm，功率延迟积为3.5 eV/nm，平均载流子速度为7 × 105 m/s。这些结果突出了双介电APNR TFET作为下一代纳米电子器件的高性能、低功耗候选材料。进一步优化的前景包括与多栅极架构的集成和先进的介电工程。

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引用次数: 0

Effect of magnetic behavior of ZnO-based diluted magnetic semiconductors processed through TVA technique on room temperature CH3–CO–CH3 sensing properties TVA法制备zno基稀磁半导体的磁性行为对室温CH3-CO-CH3传感性能的影响

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-01-31 DOI: 10.1016/j.micrna.2026.208585

Nirlipta Kar, Sushanta Kumar Kamilla

The detection of hazardous volatile organic compounds such as acetone (CH₃–CO–CH₃), a highly flammable and widely used industrial solvent, is still a challenge at low temperature with fast response and recovery time. This study examines the impact of magnetic behaviour of Ni and Co doped ZnO (NZO and CZO) on the acetone sensing properties at room temperature (RT) processed by using thermo-vibrational annealing and vibrational dry-quenching (TVA) technique. Comparative analysis reveals that NZO processed through TVA exhibits better ferromagnetic behaviour and enhanced gas sensing performance compared to CZO, despite both having similarly reduced grain sizes. When exposed to 10 ppm of acetone at RT, NZO demonstrated higher sensitivity than CZO. Notably, NZO and CZO pellets processed via TVA shows higher sensitivity and shorter response/recovery time at RT over conventionally annealed counterparts. This sensor of NZO processed with TVA is found to have ∼37 % of sensitivity with fast response time of ∼23 s at RT. A strong correlation is observed between gas sensitivity and the squareness ratio of the magnetic hysteresis, highlighting the significant role of magnetic characteristics in gas sensing behavior. The temperature versus sensing behaviour indicates that the acetone response in Ni-doped ZnO is governed by coupled magneto-electronic interactions near the Curie temperature. Additionally, photoluminescence analysis reveals an increased oxygen vacancy concentration in Ni-doped samples, contributing to greater surface reactivity via enhanced active oxygen species. The increased surface area, the presence of surface dangling bonds of the TVA-processed samples further contributes to the observed performance. The exceptional sensing ability of TVA-processed NZO is primarily attributed to its robust ferromagnetic characteristics, establishing TVA as a promising route for tuning the multifunctional properties of oxide semiconductors.

丙酮（CH3-CO-CH3）是一种高度易燃且应用广泛的工业溶剂，在低温下快速响应和回收时间的检测仍然是一个挑战。本研究考察了Ni和Co掺杂ZnO （NZO和CZO）的磁性行为对室温（RT）热振动退火和振动干淬（TVA）工艺处理的丙酮传感性能的影响。对比分析表明，与CZO相比，经过TVA处理的NZO具有更好的铁磁行为和增强的气敏性能，尽管两者的晶粒尺寸相似。当暴露于10ppm的丙酮时，NZO比CZO表现出更高的灵敏度。值得注意的是，通过TVA处理的NZO和CZO颗粒在RT下比传统退火的颗粒具有更高的灵敏度和更短的响应/恢复时间。经TVA处理的NZO传感器具有~ 37%的灵敏度，在rt下的快速响应时间为~ 23 s。在气体灵敏度和磁滞的平方比之间观察到很强的相关性，突出了磁特性在气体传感行为中的重要作用。温度-传感行为表明，在居里温度附近，丙酮在ni掺杂ZnO中的响应受耦合磁电子相互作用的控制。此外，光致发光分析显示，ni掺杂样品中的氧空位浓度增加，通过增强的活性氧有助于提高表面反应性。tva处理样品的表面积增加，表面悬垂键的存在进一步有助于观察到的性能。TVA处理的NZO的特殊传感能力主要归功于其强大的铁磁特性，使TVA成为调节氧化物半导体多功能特性的有前途的途径。

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引用次数: 0

First-principles study of SF6 decomposition product adsorption on Ti-decorated WS2 monolayers for gas sensing applications SF6分解产物在ti修饰WS2单层气敏吸附的第一性原理研究

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-01-30 DOI: 10.1016/j.micrna.2026.208584

Hamza Ahmad , Yuhuai Liu , Fang Wang , Zuhaib Nishter , Munees Khan , Rana Muhammad Zulqarnain , Xolmurotov Fozil , Xolmuratov Xolilla Sariyevich

The current work utilized a DFT study to examine the structural, electronic, and gas-sensing properties of a titanium-decorated WS₂ (Ti-WS₂) monolayer. The calculated binding energy of −2.40 eV is consistent with the thermodynamic stability of Ti incorporation, which shows the feasibility of Ti substitution at W sites in the WS₂ lattice. Adsorption parameters for significant decomposition products of SF₆, including SO₂, SO₂F₂, H₂S, HF, and SOF₂, were thoroughly investigated. The Ti-WS₂ monolayer exhibits strong chemisorption interactions with these species, with adsorption energies of −1.71, −1.66, −1.54, −1.45, and −1.34 eV, respectively, signifying high affinity and selective adsorption ability. Electronic structure analysis highlighted that Ti decoration induces considerable modifications in the pristine WS₂ band gap, which varies upon gas adsorption. The band gap values reduce to 0.1, 0.2, 0.3, 0.5, and 0.6 eV for SO₂, SO₂F₂, H₂S, HF, and SOF₂, adsorption, corresponding to sensing responses of 84.3 %, 61.6 %, 71.1 %, 49.8 %, and 40.6 %, respectively. This leads to a comparatively slow desorption rate of 2.15 × 10¹² s at 300 K, which was reduced to 85 ms by exposure to UV illumination, demonstrating great reusability. These results specify that Ti-WS₂ monolayers can be positively used as effective and recyclable SF₆ decomposition gas sensors.

目前的工作利用DFT研究来检查钛修饰WS2 （Ti-WS2）单层的结构、电子和气敏性质。计算得到的结合能为−2.40 eV，与Ti掺入的热力学稳定性一致，表明了Ti在WS2晶格中W位取代的可行性。研究了SF6重要分解产物SO2、SO2F2、H2S、HF和SOF2的吸附参数。Ti-WS2单层膜与这些物质表现出较强的化学吸附作用，吸附能分别为- 1.71、- 1.66、- 1.54、- 1.45和- 1.34 eV，具有较高的亲和力和选择性吸附能力。电子结构分析表明，Ti修饰引起原始WS2带隙的显著变化，其变化随气体吸附而变化。SO2、SO2F2、H2S、HF和SOF2的带隙值分别降至0.1、0.2、0.3、0.5和0.6 eV，对应的传感响应分别为84.3%、61.6%、71.1%、49.8%和40.6%。这导致相对较慢的解吸速率为2.15 × 1012 s，在300 K下，暴露于紫外线照射下，解吸速率降低到85 ms，显示出良好的可重复使用性。这些结果表明，Ti-WS2单层膜可以作为有效的、可回收的SF6分解气体传感器。

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引用次数: 0

Thermomagnetic transport and field-tunable figures of merit in GaAs/AlGaAs superlattices GaAs/AlGaAs超晶格中的热磁输运和场可调谐参量

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-01-28 DOI: 10.1016/j.micrna.2026.208583

D. Sekyi-Arthur , S.Y. Mensah , K.A. Dompreh , F. Amo-Mensah

Herein, we present a comprehensive theoretical and computational investigation of both the longitudinal (

Z T_{x x}

) and off-diagonal (

Z T_{x y}

) thermoelectric performance of GaAs–AlGaAs superlattices subjected to combined alternating electric and perpendicular magnetic fields. Using the semiclassical Boltzmann transport framework, the model incorporates miniband electron dynamics, impurity and phonon scattering, donor activation, and both electronic and lattice contributions to heat transport. The applied magnetic field couples the longitudinal and transverse channels, giving rise to non-zero off-diagonal thermopower (

α_{x y}

) and electrical conductivity (

σ_{x y}

) components, while simultaneously modifying the longitudinal thermoelectric response (

α_{x x}

,

σ_{x x}

). Parametric analyses across temperature, miniband width, carrier density, chemical potential, and lattice thermal conductivity reveal that quantum confinement and magneto-thermoelectric coupling can substantially enhance both

Z T_{x x}

and

Z T_{x y}

, with the transverse component showing particularly strong gains at moderate magnetic fields at sub-room temperatures. These results demonstrate the potential of engineered GaAs–AlGaAs superlattices for high-efficiency longitudinal and transverse thermoelectric energy conversion, providing a predictive framework for optimising anisotropic thermoelectricity in low-dimensional semiconductor systems.

在此，我们对GaAs-AlGaAs超晶格在交变电场和垂直磁场联合作用下的纵向（ZTxx）和非对角线（ZTxy）热电性能进行了全面的理论和计算研究。利用半经典玻尔兹曼输运框架，该模型结合了小带电子动力学、杂质和声子散射、供体激活以及电子和晶格对热输运的贡献。外加磁场耦合纵向和横向通道，产生非零的非对角线热功率（αxy）和电导率（σxy）分量，同时改变了纵向热电响应（αxx, σxx）。温度、微带宽度、载流子密度、化学势和晶格导热系数的参数分析表明，量子约束和磁热电耦合可以显著增强ZTxx和ZTxy，其中横向分量在亚室温中等磁场下表现出特别强的增益。这些结果证明了工程GaAs-AlGaAs超晶格在高效纵向和横向热电能量转换方面的潜力，为优化低维半导体系统中的各向异性热电提供了预测框架。

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引用次数: 0

TCAD-DFT based modeling and optimization of Graphene/Silicon Schottky junction solar cells 基于TCAD-DFT的石墨烯/硅肖特基结太阳能电池建模与优化

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-01-23 DOI: 10.1016/j.micrna.2026.208581

Manoj Kumar , Purnendu Shekhar Pandey , Gvs Manoj Kumar , Akash Kumar Pradhan , M. Sudhakara Reddy , Anita Gehlot

This study presents a comprehensive investigation of graphene/silicon (Gr/Si) Schottky junction solar cells using an integrated approach that combines density functional theory (DFT) with Technology Computer-Aided Design (TCAD, Silvaco) simulations. DFT calculations were used to extract key optoelectronic properties of graphene, including refractive index, extinction coefficient, absorption, and interface charge density, which were incorporated into Silvaco TCAD simulations to model device behavior. The influence of graphene thickness, interfacial engineering, and graphene electron affinity on photovoltaic performance was systematically examined. The results show that graphene thickness strongly controls the tradeoff between optical transparency and electrical conductivity, with three graphene layers providing optimal performance. At this thickness, the device achieves a short-circuit current density of ∼23 mA/cm² and a fill factor of ∼83 %, while thicker layers reduce efficiency due to increased optical losses and recombination. Mechanical stress analysis reveals that increasing graphene layers amplifies interfacial stress and trap density, whereas TiO₂ emerges as the most effective stress-relieving interface layer due to its low residual stress and reduced defect formation. Tuning the graphene electron affinity (χ_Gr) from 4.1 to 4.7 eV, an optimum is observed at χ_Gr ≈ 4.4 eV (work function ≈ 5.5 eV), yielding a maximum power conversion efficiency of 19.26 %, with a short-circuit current density of 25 mA/cm², an open-circuit voltage of 0.92 V, and a fill factor of 83.6 %. These findings demonstrate that controlled graphene thickness, TiO₂-based interface passivation, and electron-affinity optimization are key to achieving high-efficiency Gr/Si Schottky junction solar cells.

本研究采用密度泛函理论（DFT）和计算机辅助设计（TCAD, Silvaco）模拟相结合的综合方法，对石墨烯/硅（Gr/Si）肖特基结太阳能电池进行了全面的研究。DFT计算用于提取石墨烯的关键光电特性，包括折射率、消光系数、吸收和界面电荷密度，并将其纳入Silvaco TCAD模拟中以模拟器件行为。系统考察了石墨烯厚度、界面工程和石墨烯电子亲和对光伏性能的影响。结果表明，石墨烯厚度在很大程度上控制了光学透明度和导电性之间的权衡，其中三层石墨烯具有最佳性能。在这种厚度下，器件实现了~ 23 mA/cm2的短路电流密度和~ 83%的填充系数，而较厚的层由于增加的光学损耗和复合而降低了效率。机械应力分析表明，石墨烯层数的增加增加了界面应力和陷阱密度，而TiO2由于其低残余应力和减少缺陷形成而成为最有效的应力消除界面层。将石墨烯的电子亲和度（χGr）从4.1 eV调整到4.7 eV，在χGr≈4.4 eV（功函数≈5.5 eV）处达到最优，得到的最大功率转换效率为19.26%，短路电流密度为25 mA/cm2，开路电压为0.92 V，填充系数为83.6%。这些发现表明，控制石墨烯厚度、tio2基界面钝化和电子亲和优化是实现高效Gr/Si肖特基结太阳能电池的关键。

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引用次数: 0

Optical response of Ag/poly-Si/ITO Schottky diodes under illumination: experiment and 2D modeling Ag/多晶硅/ITO肖特基二极管在光照下的光学响应：实验和二维建模

IF 3 Q2 PHYSICS, CONDENSED MATTER

Micro and Nanostructures

Pub Date : 2026-01-21 DOI: 10.1016/j.micrna.2026.208578

Amina Chaib, Mohammed Amrani, Zineb Benamara

We study an Ag/poly-Si (low-pressure chemical vapor deposition, LPCVD)/indium tin oxide (ITO) Schottky diode on glass using current–voltage (I–V) measurements at 300 K, in the dark and under helium–neon (He–Ne) laser illumination (λ = 632.8 nm; incident optical power at the device plane, P_in ≈ 0.2 mW). Under illumination, a net photocurrent (I_ph) ≈ 2.7 × 10⁻⁶ A is obtained at −2 V, yielding an optical contrast I_light/I_dark ∼ 10³, with a responsivity (R) ≈ 1.33 × 10⁻² A W⁻¹ and a specific detectivity (D∗) ≈ 1.15 × 10⁹ Jones at (−2 V). To interpret the illuminated characteristics, we develop a two-dimensional (2D) drift–diffusion model (Poisson + continuity) including optical generation (parameter powrm, normalized illumination level) and Shockley–Read–Hall (SRH) recombination through interface and grain-boundary traps (total trap density N_T, with N_TA and N_TD). The parametric analysis shows that optical generation sets the photocurrent amplitude, the donor concentration (N_D) governs forward conduction, and N_T controls recombination losses, strongly impacting the forward branch and the open-circuit voltage V_oc. No combination of these parameters reproduces the experimental reverse-bias behavior without impact ionization; introducing this mechanism captures the high-field rise and curvature while preserving the forward branch. Using N_D independently extracted from capacitance–voltage (C–V) measurements (1 MHz) and keeping the other inputs fixed from independent characterizations, the best agreement is obtained for N_TA = 2.85 × 10¹² cm⁻² and N_TD = 3.25 × 10¹² cm⁻², supporting the overall consistency of the 2D model and the coupled influence of optical generation, transport, recombination, and impact ionization on the illuminated I–V characteristics. Compared with prior reports on Ag/poly-Si diodes, this work combines systematic dark/illuminated measurements on an Ag/poly-Si/ITO device fabricated on glass with a dedicated 2D drift–diffusion model that incorporates trap-assisted recombination and impact ionization, enabling a physically constrained interpretation of the photoresponse and extracted parameters.

在300 K、黑暗和氦氖（He-Ne）激光照射下（λ = 632.8 nm，器件平面入射光功率P_in≈0.2 mW），利用电流-电压（I-V）测量方法研究了玻璃上的Ag/多晶硅（低压化学气相沉积，LPCVD）/氧化铟锡（ITO）肖特基二极管。在光照下，在−2v下获得净光电流(I_ph)≈2.7 × 10−6 a，产生光学对比度I_light/I_dark ~ 103，响应度(R)≈1.33 × 10−2 a W−1，比探测率(D∗)≈1.15 × 109 Jones在（−2v）。为了解释光照特性，我们建立了一个二维漂移扩散模型（泊松+连续性），包括光产生（参数功率，归一化光照水平）和通过界面和晶界陷阱（总陷阱密度NT，具有NTA和NTD）的Shockley-Read-Hall （SRH）重组。参数分析表明，光产生决定光电流幅值，给体浓度（ND）决定正向导通，NT控制复合损耗，并对正向支路和开路电压V_oc产生强烈影响。这些参数的任何组合都不能再现没有冲击电离的实验反偏置行为；引入这种机制可以在保持前向分支的同时捕获高场上升和曲率。使用从电容-电压（C-V）测量（1 MHz）中独立提取的ND，并保持其他输入从独立表征中固定，获得了NTA = 2.85 × 1012 cm - 2和NTD = 3.25 × 1012 cm - 2的最佳一致性，支持了2D模型的总体一致性以及光产生、输运、复合和冲击电离对照明I-V特性的耦合影响。与之前关于Ag/多晶硅二极管的报道相比，这项工作结合了在玻璃上制造的Ag/多晶硅/ITO器件的系统暗/照明测量，以及专用的2D漂移扩散模型，该模型包含陷阱辅助重组和冲击电离，能够对光响应和提取参数进行物理约束解释。

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