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Semiconducting biomass-based amorphous carbon films and their potential application in photovoltaic devices 基于生物质的半导体无定形碳薄膜及其在光伏设备中的潜在应用
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-22 DOI: 10.1016/j.mssp.2024.109122
Endhah Purwandari , Retno Asih , Sudarsono , Diky Anggoro , Budhi Priyanto , Gerald Ensang Timuda , Malik Anjelh Baqiya , Iman Santoso , Hideki Nakajima , Muhammad Mahyiddin Ramli , Agus Subekti , Darminto
Amorphous carbon (aC) is highly appealing because of its unique structure, electrical and optical properties, making it appropriate for various applications, especially in energy conversion. This work presents a comprehensive study on the synthesis of aC materials, including both intrinsic (i-type) and doped conditions (p- and n-type), to enhance the performance of photovoltaic films. Carbon materials are derived from biomass using a straightforward and environmentally conscious technique. The obtained carbon compound demonstrates an amorphous state with a substantial prevalence of the sp2 C=C component. Raman spectroscopy and electron microscopy confirmed the stacking of 2D layers forming a multilayer graphene structure. The carbon compound prepared AC films deposited onto a quartz glass surface via spray coating. The films have a thickness ranging from 247 to 478 nm. The dielectric constants of the optical parameters reveal resonant exciton features at a photon energy of ∼3.8 eV, whereas the real component exhibits semiconductive properties. The refractive indices of the p-, i-, and n-layers, which have gap energies in decreasing order, demonstrate a decline. The optical conductivity of aC is higher than that of amorphous silicon, specifically 0.54 × 103Ω−1cm−1, 0.48 × 103 Ω−1cm−1, and 0.53 × 103 Ω−1cm−1 for the p-, i-, and n-type films, respectively. Based on this outcome, it is reasonable to suggest that the recently developed material is potentially important as a photovoltaic device.
无定形碳(aC)因其独特的结构、电学和光学特性而极具吸引力,适合各种应用,尤其是在能源转换方面。这项工作全面研究了 aC 材料的合成,包括本征(i 型)和掺杂条件(p 型和 n 型),以提高光伏薄膜的性能。碳材料是从生物质中提取的,采用的是一种简单、环保的技术。获得的碳化合物呈无定形状态,sp2 C=C 成分大量存在。拉曼光谱和电子显微镜证实了二维层的堆叠,形成了多层石墨烯结构。碳化合物制备的交流电薄膜通过喷涂沉积到石英玻璃表面。这些薄膜的厚度在 247 纳米到 478 纳米之间。光学参数的介电常数显示了光子能量为 ∼3.8 eV 时的共振激子特征,而实际分量则表现出半导体特性。间隙能量依次递减的 p 层、i 层和 n 层的折射率呈现下降趋势。aC 的光导率高于非晶硅,p、i 和 n 型薄膜的光导率分别为 0.54 × 103Ω-1cm-1、0.48 × 103 Ω-1cm-1 和 0.53 × 103 Ω-1cm-1。基于这一结果,我们有理由认为,最近开发的这种材料有可能成为一种重要的光电设备。
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引用次数: 0
Impact of porous silicon thickness on thermoelectric properties of silicon-germanium alloy films produced by electrochemical deposition of germanium into porous silicon matrices followed by rapid thermal annealing 多孔硅厚度对通过电化学沉积锗到多孔硅基质并快速热退火制备的硅锗合金薄膜热电性能的影响
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-21 DOI: 10.1016/j.mssp.2024.109148
Nikita Grevtsov , Eugene Chubenko , Ilya Gavrilin , Dmitry Goroshko , Olga Goroshko , Ilia Tsiniaikin , Vitaly Bondarenko , Maksim Murtazin , Alexey Dronov , Sergey Gavrilov
Silicon-germanium alloy films were formed by electrochemical deposition of germanium into porous silicon matrices with thicknesses varying from 1.5 to 10 μm followed by subsequent rapid thermal processing at 950 °C in an inert atmosphere. Study of the fabricated structures using SEM and Raman spectroscopy, as well as measurements of their electrical conductivity and thermoelectric properties revealed that the highest Seebeck coefficient (−505 μV/K at 450 K) and Power Factor (1950 μW/(m·K2) at 400 K) values were obtained when a 5 μm-thick porous silicon was used as a structural matrix. Under such conditions, an optimal balance between electrical conductivity, structural disorder and electrical insulation from the substrate is achieved due to the presence of a residual porous underlayer, making it possible to maximize the film's thermoelectric performance. The obtained silicon-germanium alloy films are deemed suitable for the fabrication of both discrete and integrated thermoelectric devices based on monocrystalline silicon substrates.
通过电化学方法将锗沉积到厚度为 1.5 至 10 μm 的多孔硅基质中,然后在 950 °C 的惰性气氛中进行快速热处理,形成了硅锗合金薄膜。利用扫描电镜和拉曼光谱对制作的结构进行研究,并对其导电性和热电特性进行测量后发现,当使用 5 μm 厚的多孔硅作为结构基体时,可获得最高的塞贝克系数(450 K 时为 -505 μV/K)和功率因数(400 K 时为 1950 μW/(m-K2))值。在这种条件下,由于残留多孔底层的存在,导电性、结构紊乱和与基底的电绝缘之间达到了最佳平衡,从而使薄膜的热电性能最大化成为可能。所获得的硅锗合金薄膜被认为适用于制造基于单晶硅衬底的分立和集成热电设备。
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引用次数: 0
Exploring the influence of end-capped moieties on the photovoltaic properties of thiazolo [5,4-d] thiazole based compounds: DFT/TD-DFT approaches 探索末端封端分子对噻唑并[5,4-d]噻唑类化合物光伏特性的影响:DFT/TD-DFT 方法
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-21 DOI: 10.1016/j.mssp.2024.109126
Mashal Khan , Sidra Akram , Iqra Shafiq , Saifullah Bullo , Saad M. Alshehri , Suvash Chandra Ojha
Non-fullerene acceptors-based organic solar cells (NFA-OSCs) with unfused central cores retain significant optoelectronic features in recent years. Herein, eight new derivatives (TCTD1TCTD8) were designed from TCTR reference to enlighten their photovoltaic and optoelectronic properties. The structural modulation of TCTR is performed at its both terminal ends with different unique benzothiophene based acceptors. Following this, the DFT/TD-DFT methods were accomplished to perform various analyses such as frontier molecular orbitals (FMOs), density of states (DOS), UV–Vis spectra, transition density matrix (TDM), binding energy (Eb), open circuit voltage (Voc) and hole-electron investigations. The findings of FMOs and UV–Vis revealed that the newly designed compounds showed comparable band gaps (2.13–2.32 eV) with bathochromic shifts in both the chloroform solvent (702.30–753.06 nm) and gas phase (655.72–695.84 nm) as compared to TCTR (2.29 eV, 715.26 and 668.52 nm, respectively). The TDM, DOS and hole-electron plots represented the good charge transfer (CT) and exciton dissociation in all the derivatives. Their Voc was calculated via the donor polymer (PBDB-T) and significant results were obtained (1.34–1.67 V). Among all the afore-mentioned derivatives, TCTD7 exhibited the least band gap (2.13 eV), highest λmax (753.06 and 695.84 nm in chloroform solvent and gas, accordingly) and Eb (0.49 eV) values. These results illustrated the greater rate of exciton dissociation which led towards efficient photovoltaic response in the compound (TCTD7). The theoretical study marked the unique properties of newly designed unfused NFAs which aid the experimentalists in their utilization for synthesizing efficient photovoltaic materials.
非富勒烯受体型有机太阳能电池(NFA-OSCs)具有未融合的中心核,近年来保留了显著的光电特性。本文以 TCTR 为参照物,设计了八种新的衍生物(TCTD1-TCTD8),以揭示它们的光伏和光电特性。在 TCTR 的两个末端用不同的独特苯并噻吩基受体进行了结构调整。随后,利用 DFT/TD-DFT 方法进行了各种分析,如前沿分子轨道(FMO)、状态密度(DOS)、紫外可见光谱、过渡密度矩阵(TDM)、结合能(Eb)、开路电压(Voc)和空穴电子研究。FMOs 和紫外-可见光谱的研究结果表明,与 TCTR(分别为 2.29 eV、715.26 和 668.52 nm)相比,新设计的化合物在氯仿溶剂(702.30-753.06 nm)和气相(655.72-695.84 nm)中显示出相似的带隙(2.13-2.32 eV)和浴色偏移。TDM 图、DOS 图和空穴-电子图表明所有衍生物都具有良好的电荷转移(CT)和激子解离特性。通过供体聚合物(PBDB-T)计算了它们的 Voc 值,得到了显著的结果(1.34-1.67 V)。在上述所有衍生物中,TCTD7 的带隙(2.13 eV)最小,λmax(在氯仿溶剂和气体中分别为 753.06 和 695.84 nm)和 Eb(0.49 eV)值最高。这些结果表明,该化合物(TCTD7)的激子解离率更高,从而实现了高效的光伏响应。理论研究表明,新设计的未熔合 NFA 具有独特的性质,有助于实验人员利用它们合成高效的光伏材料。
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引用次数: 0
A comprehensive analysis of the structural, phonon, electronic, mechanical, optical, and thermophysical properties of cubic Ca3SbX3 (X = Cl, Br): DFT - GGA and mBJ studies 全面分析立方 Ca3SbX3(X = Cl、Br)的结构、声子、电子、机械、光学和热物理性质:DFT - GGA 和 mBJ 研究
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1016/j.mssp.2024.109133
Heider A. Abdulhussein , Md Adil Hossain , Asif Hosen , Diana Dahliah , Mohammed S. Abu-Jafar , Amine Harbi , Redi Kristian Pingak , M. Moutaabbid , Istiak Ahmed Ovi , Md Riazul Islam , Md Kaab Bin Hossen
The current investigation employed first-principles calculation to assess the structural, phonon, mechanical, electronic, optical, thermodynamic, and thermoelectric properties of lead-free cubic Ca3SbX3 (X = Cl, Br). The dynamic stability of both compounds is assessed by analyzing the phonon dispersion spectrum. The distance between atoms is significantly reduced, leading to a large drop in the bond length, cell volume, and lattice constant of Ca3SbX3 (X = Cl, Br) compounds upon applying pressure. Ca3SbCl3 and Ca3SbBr3 compounds have direct bandgaps (Γ-Γ) of 2.57 and 2.27 eV via mBJ functional and 1.82 and 1.34 eV via GGA functional at 0 GPa pressure. Additionally, the bandgaps of Ca3SbCl3 and Ca3SbBr3 decrease to 1.65 eV and 1.45 eV, respectively, when accounting for the quantum effects of spin-orbit coupling (SOC). As the level of pressure rises to 30 GPa, Ca3SbCl3 and Ca3SbBr3 compound's band gaps reduce to 0.89 and 0.65 eV via mBJ functional and 0.27 and 0.12 via GGA functional. Increasing pressure is shown to reduce the effective mass, thereby enhancing the conductivity of both types of charge carriers. The reduced recombination rate signifies both compounds' greater absorption capabilities, making them more suitable for solar absorbers. The analysis of the mechanical properties indicates that as pressure increases, the elastic moduli rise, and the material transitions from being brittle to becoming more ductile. Additionally, both materials show a redshift of absorption and optical conductivity with improved dielectric constants at high pressure owing to the alteration in the bandgap, which is more appropriate for surgical instruments and solar absorbers. Thermodynamic properties show their temperature tolerance and appropriateness for high temperatures. Lastly, their thermoelectric property evaluation indicates high PF and near unity ZT, suggesting their use in thermoelectric devices.
目前的研究采用了第一原理计算方法来评估无铅立方体 Ca3SbX3(X = Cl、Br)的结构、声子、机械、电子、光学、热力学和热电特性。通过分析声子频散谱,评估了这两种化合物的动态稳定性。在施加压力时,原子间的距离明显缩小,导致 Ca3SbX3(X = Cl,Br)化合物的键长、晶胞体积和晶格常数大幅下降。在 0 GPa 压力下,通过 mBJ 函数,Ca3SbCl3 和 Ca3SbBr3 化合物的直接带隙 (Γ-Γ) 分别为 2.57 和 2.27 eV;通过 GGA 函数,分别为 1.82 和 1.34 eV。此外,在考虑自旋轨道耦合 (SOC) 的量子效应时,Ca3SbCl3 和 Ca3SbBr3 的带隙分别降至 1.65 eV 和 1.45 eV。当压力水平上升到 30 GPa 时,通过 mBJ 函数,Ca3SbCl3 和 Ca3SbBr3 化合物的带隙分别减小到 0.89 和 0.65 eV;通过 GGA 函数,分别减小到 0.27 和 0.12 eV。增加压力可降低有效质量,从而提高两种电荷载流子的导电性。重组率的降低表明这两种化合物具有更强的吸收能力,因此更适合用作太阳能吸收剂。机械性能分析表明,随着压力的增加,弹性模量上升,材料从脆性过渡到韧性。此外,由于带隙的改变,这两种材料在高压下的吸收率和光导率都发生了重移,介电常数得到改善,更适合用于手术器械和太阳能吸收器。热力学特性显示了它们的耐温性和对高温的适应性。最后,它们的热电性能评估表明,它们具有较高的 PF 值和接近统一的 ZT 值,这表明它们可用于热电设备。
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引用次数: 0
Comparison of different α-Fe2O3 sources in the enhancement of ZnO photocatalytic activity during the degradation of a mixture of endocrine-disruptors 比较不同的 α-Fe2O3 源在降解内分泌干扰物混合物过程中增强氧化锌光催化活性的作用
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1016/j.mssp.2024.109125
Pedro César Quero-Jiménez , Aracely Hernández-Ramírez , Jorge Luis Guzmán-Mar , David Avellaneda Avellaneda , Laura Hinojosa-Reyes
α-Fe2O3/ZnO composites were synthesized using MOF235(Fe), NH2–MOF235(Fe), and FeOOH as α-Fe2O3 precursors via microwave-assisted precipitation and post-calcination at 450 °C. Thermogravimetric analyses (TGA), X-ray powder diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), N2 physisorption analysis, scanning electron microscopy using a fully integrated EDS detector (SEM–EDS), X-ray photoelectron spectroscopy (XPS), and electrochemical experiments were employed to characterize the prepared materials. The coupling of MOF235(Fe)-, NH2–MOF235(Fe)-, and FeOOH-derived α-Fe2O3 into ZnO increased the specific surface area values and light absorption in the visible region of ZnO. The NH2–MOF235(Fe)-derived α-Fe2O3/ZnO allowed enhanced photogenerated charge separation with retarded e/h+ recombination rate and reduced charge-transfer resistance, promoting superior photocatalytic activity. The photocatalytic activity of α-Fe2O3/ZnO composites was evaluated in the degradation of bisphenol A, 4-tert-butylphenol, and 4-tert-octylphenol mixture solution at pH 7.0 under simulated solar light using 0.5 g L−1 catalyst loading. The mineralization percentages of endocrine-disrupting compounds (EDCs) of 36.76%, 42.25%, and 19.92% occurred in 330 min (600 kJ m−2 of accumulated energy) for MOF235(Fe)-, NH2–MOF235(Fe)-, and FeOOH-derived α-Fe2O3/ZnO, respectively. The QSAR approach using the ECOSAR program to evaluate the acute toxicity of the by-products generated with the NH2–MOF235(Fe)_α-Fe2O3/ZnO photocatalyst showed that the effluent was nontoxic for the three target trophic models (fish, Daphnia, and green algae). This result was consistent with those of the Vibrio fischeri bioluminescence inhibition assay, where the effluents using NH2–MOF235(Fe)_α-Fe2O3/ZnO were classified as nontoxic. Thus, NH2–MOF235(Fe) can be successfully used as an α-Fe2O3 precursor to generate an α-Fe2O3/ZnO composite, which is a promising material for removing EDCs from aqueous solutions.
以 MOF235(Fe)、NH2-MOF235(Fe)和 FeOOH 为 α-Fe2O3 前驱体,通过微波辅助沉淀和 450 ℃ 后煅烧合成了 α-Fe2O3/ZnO 复合材料。热重分析 (TGA)、X 射线粉末衍射 (XRD)、傅立叶变换红外光谱 (FTIR)、N2 物理吸附分析、使用全集成 EDS 检测器的扫描电子显微镜 (SEM-EDS)、X 射线光电子能谱 (XPS) 和电化学实验用于表征制备的材料。将 MOF235(Fe)-、NH2-MOF235(Fe)- 和 FeOOH 衍生的 α-Fe2O3 偶联到 ZnO 中,提高了 ZnO 的比表面积值和可见光区的光吸收率。NH2-MOF235(Fe) 衍生的 α-Fe2O3/ZnO 可增强光生电荷分离,延缓 e-/h+ 重组速率,降低电荷转移电阻,从而提高光催化活性。在 pH 值为 7.0 的模拟太阳光条件下,使用 0.5 g L-1 的催化剂负载,评估了 α-Fe2O3/ZnO 复合材料降解双酚 A、4-叔丁基苯酚和 4-叔辛基苯酚混合物溶液的光催化活性。在 330 分钟(600 kJ m-2 的累积能量)内,MOF235(Fe)-、NH2-MOF235(Fe)- 和 FeOOH 衍生的 α-Fe2O3/ZnO 对内分泌干扰化合物 (EDC) 的矿化率分别为 36.76%、42.25% 和 19.92%。使用 ECOSAR 程序对 NH2-MOF235(Fe)_α-Fe2O3/ZnO 光催化剂产生的副产品的急性毒性进行评估的 QSAR 方法表明,废水对三种目标营养模型(鱼类、水蚤和绿藻)均无毒性。这一结果与鱼弧菌生物发光抑制试验的结果一致,使用 NH2-MOF235(Fe)_α-Fe2O3/ZnO 的污水被归类为无毒。因此,NH2-MOF235(Fe)可成功用作α-Fe2O3 前体,生成α-Fe2O3/ZnO 复合材料,这是一种很有前景的从水溶液中去除 EDC 的材料。
{"title":"Comparison of different α-Fe2O3 sources in the enhancement of ZnO photocatalytic activity during the degradation of a mixture of endocrine-disruptors","authors":"Pedro César Quero-Jiménez ,&nbsp;Aracely Hernández-Ramírez ,&nbsp;Jorge Luis Guzmán-Mar ,&nbsp;David Avellaneda Avellaneda ,&nbsp;Laura Hinojosa-Reyes","doi":"10.1016/j.mssp.2024.109125","DOIUrl":"10.1016/j.mssp.2024.109125","url":null,"abstract":"<div><div>α-Fe<sub>2</sub>O<sub>3</sub>/ZnO composites were synthesized using MOF235(Fe), NH<sub>2</sub>–MOF235(Fe), and FeOOH as α-Fe<sub>2</sub>O<sub>3</sub> precursors via microwave-assisted precipitation and post-calcination at 450 °C. Thermogravimetric analyses (TGA), X-ray powder diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), N<sub>2</sub> physisorption analysis, scanning electron microscopy using a fully integrated EDS detector (SEM–EDS), X-ray photoelectron spectroscopy (XPS), and electrochemical experiments were employed to characterize the prepared materials. The coupling of MOF235(Fe)-, NH<sub>2</sub>–MOF235(Fe)-, and FeOOH-derived α-Fe<sub>2</sub>O<sub>3</sub> into ZnO increased the specific surface area values and light absorption in the visible region of ZnO. The NH<sub>2</sub>–MOF235(Fe)-derived α-Fe<sub>2</sub>O<sub>3</sub>/ZnO allowed enhanced photogenerated charge separation with retarded <em>e</em><sup><em>−</em></sup><em>/h</em><sup><em>+</em></sup> recombination rate and reduced charge-transfer resistance, promoting superior photocatalytic activity. The photocatalytic activity of α-Fe<sub>2</sub>O<sub>3</sub>/ZnO composites was evaluated in the degradation of bisphenol A, 4-<em>tert</em>-butylphenol, and 4-<em>tert</em>-octylphenol mixture solution at pH 7.0 under simulated solar light using 0.5 g L<sup>−1</sup> catalyst loading. The mineralization percentages of endocrine-disrupting compounds (EDCs) of 36.76%, 42.25%, and 19.92% occurred in 330 min (600 kJ m<sup>−2</sup> of accumulated energy) for MOF235(Fe)-, NH<sub>2</sub>–MOF235(Fe)-, and FeOOH-derived α-Fe<sub>2</sub>O<sub>3</sub>/ZnO, respectively. The QSAR approach using the ECOSAR program to evaluate the acute toxicity of the by-products generated with the NH<sub>2</sub>–MOF235(Fe)_α-Fe<sub>2</sub>O<sub>3</sub>/ZnO photocatalyst showed that the effluent was nontoxic for the three target trophic models (fish, <em>Daphnia</em>, and green algae). This result was consistent with those of the <em>Vibrio fischeri</em> bioluminescence inhibition assay, where the effluents using NH<sub>2</sub>–MOF235(Fe)_α-Fe<sub>2</sub>O<sub>3</sub>/ZnO were classified as nontoxic. Thus, NH<sub>2</sub>–MOF235(Fe) can be successfully used as an α-Fe<sub>2</sub>O<sub>3</sub> precursor to generate an α-Fe<sub>2</sub>O<sub>3</sub>/ZnO composite, which is a promising material for removing EDCs from aqueous solutions.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109125"},"PeriodicalIF":4.2,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermoluminescence behaviour and kinetic analysis of a novel Tb³⁺-Doped LaCa₄O(BO₃)₃ phosphor: Impacts of heating rates and dose 掺杂铽元素的新型 LaCa₄O(BO₃)₃荧光粉的热致发光行为和动力学分析:加热速率和剂量的影响
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1016/j.mssp.2024.109132
O. Madkhali , K. Bulcar , A. Barad , T. Zelai , G. Souadi , Hussain J. Alathlawi , U.H. Kaynar , M. Topaksu , N. Can
This study employs kinetic analysis methods to comprehensively understand the thermoluminescence (TL) behaviour of Tb³⁺-doped LaCa₄O(BO₃)₃ (LACOB), applying the Hoogenstraaten and Booth-Bohun-Parfianovitch methods, as well as the Tm-Tstop and Glow Curve Deconvolution (GCD) techniques. Optimal TL intensity was found at a Tb³⁺ concentration of 2 wt%, beyond which concentration quenching occurred. The complete TL glow curve before preheating displays two peaks at approximately 70 °C and 286 °C. After preheating, only the 286 °C peak remains, due to its greater stability and intensity, making it the primary TL peak relevant for dosimetric applications. As the heating rate increased, the TL glow peaks shifted to higher temperatures and exhibited reduced intensity due to thermal quenching. The TL intensity exhibited superlinear behaviour at lower doses (0.5–20 Gy), followed by nearly linear behaviour at intermediate doses (30–100 Gy), and sublinear behaviour at higher doses. Anomalous fading of the TL signal was observed in LACOB:2 wt%Tb, suggesting competition with radiationless transitions. Activation energy values derived from Hoogenstraaten and Booth-Bohun-Parfianovitch methods showed close alignment, supporting the reliability of the kinetic analysis. The Tm-Tstop and GCD analyses with preheating identified four distinct TL glow peaks, with activation energies between 1.72 and 1.82 eV. Analysis whole glow curve revealed nine TL glow peaks overall, ranging from 1.08 to 1.82 eV, reflecting a complex trap structure with continuous energy distributions. The GCD method yielded a Figure of Merit (FOM) of 2.67 % with preheating and 2.84 without preheating, indicating a strong fit between experimental and theoretical data in both cases. The material demonstrated excellent stability and reusability, making it a strong candidate for dosimetric applications.
本研究采用动力学分析方法,应用 Hoogenstraaten 和 Booth-Bohun-Parfianovitch 方法以及 Tm-Tstop 和辉光曲线解卷积 (GCD) 技术,全面了解了掺杂 Tb³⁺ 的 LaCa₄O(BO₃)₃(LACOB)的热致发光 (TL) 行为。在 Tb³⁺ 浓度为 2 wt% 时发现了最佳 TL 强度,超过该浓度时会出现浓度淬灭。预热前的完整 TL 辉光曲线在大约 70 ℃ 和 286 ℃ 处显示两个峰值。预热后,只有 286 °C 峰值因其更高的稳定性和强度而保留下来,成为与剂量测定应用相关的主要 TL 峰值。随着加热速率的增加,TL 辉光峰转移到更高的温度,并由于热淬火而强度降低。TL 强度在较低剂量(0.5-20 Gy)时表现出超线性,在中等剂量(30-100 Gy)时表现出近似线性,在较高剂量时表现出亚线性。在 LACOB:2 wt%Tb 中观察到 TL 信号的异常衰减,这表明与无辐射跃迁存在竞争。根据 Hoogenstraaten 和 Booth-Bohun-Parfianovitch 方法得出的活化能值显示出密切的一致性,支持了动力学分析的可靠性。预热的 Tm-Tstop 和 GCD 分析确定了四个不同的 TL 辉光峰,其活化能在 1.72 和 1.82 eV 之间。对整条辉光曲线的分析显示出九个 TL 辉光峰,范围在 1.08 至 1.82 eV 之间,反映出具有连续能量分布的复杂阱结构。采用 GCD 方法得出的优越性图(FOM)在预热时为 2.67%,在不预热时为 2.84%,表明这两种情况下实验数据和理论数据的拟合度都很高。该材料具有出色的稳定性和可重复使用性,是剂量测定应用的理想选择。
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引用次数: 0
Unveiling the abnormal response behavior of AlGaN-based high electron mobility transistors (HEMTs) under ultraviolet light illumination 揭示氮化铝基高电子迁移率晶体管 (HEMT) 在紫外线照射下的异常响应行为
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-19 DOI: 10.1016/j.mssp.2024.109134
Mukta Sharma , Chia-Lung Tsai , S.N. Manjunatha , Yu-Li Hsieh , Atanu Das , Kuan-Ying Lee , Sun-Chien Ko , Shiang-Fu Huang , Liann-Be Chang , Meng-Chyi Wu
This study examines the dual functionality of AlGaN/GaN HEMTs as both power transistors and UV photodetectors, motivated by manipulating the bias dependent photoresponse and to perform both functions using AlGaN/GaN HEMT configuration seamlessly. The fabricated HEMTs achieve good electrical performance, with a maximum drain current IDS of 547 mA/mm and an ON-to-OFF current ratio (ION/IOFF) of 1.2 × 10⁷, with a threshold voltage of −3.9 V. The device demonstrated a peak responsivity of 758.4 A/W at 360 nm with an optical gain of 2617 under forward bias. When biased between −4.6 V < VGS < Vth and VDS = +3 V, UV illumination significantly increases the 2DEG channel conductivity, resulting in enhanced electron transport and high responsivity. However, as VGS increases, dark current rises, limiting the gain improvement. Additionally, the proposed AlGaN HEMTs showed a UV sensing performance with a linear dynamic range (LDR) of 65.4 dB, indicating potential for UV detection applications. Furthermore, these devices can also operate in reverse conduction (third quadrant), achieving 220.7 A/W when VDS < 0 V and VGS + VSD > Vth. Applying a higher drain-source voltage further boosts responsivity by strengthening the lateral electric field, but only if dark current remains low. Finally, the HEMTs detect optical pulses at 550 Hz with response times of 641 μs and 776 μs (τrf). These capabilities allow the device to function as both a power signal driver and an optical detector without structural modifications, making it a versatile option for multifunctional applications.
本研究探讨了 AlGaN/GaN HEMT 作为功率晶体管和紫外光检测器的双重功能,其动机是操纵与偏压相关的光响应,并利用 AlGaN/GaN HEMT 配置无缝地实现这两种功能。所制造的 HEMT 具有良好的电气性能,最大漏极电流 IDS 为 547 mA/mm,导通与关断电流比(ION/IOFF)为 1.2 × 10⁷,阈值电压为 -3.9 V。当偏压介于 -4.6 V < VGS < Vth 和 VDS = +3 V 之间时,紫外线照射会显著提高 2DEG 沟道电导率,从而增强电子传输和提高响应率。然而,随着 VGS 的增加,暗电流也会上升,从而限制了增益的提高。此外,所提出的 AlGaN HEMT 还具有紫外线传感性能,线性动态范围 (LDR) 达到 65.4 dB,显示出紫外线检测应用的潜力。此外,这些器件还能在反向传导(第三象限)情况下工作,在 VDS < 0 V 和 VGS + VSD > Vth 时达到 220.7 A/W 的功率。通过加强横向电场,施加更高的漏极-源极电压可进一步提高响应速度,但前提是暗电流保持在较低水平。最后,HEMT 以 550 Hz 的频率检测光脉冲,响应时间分别为 641 μs 和 776 μs (τr/τf)。这些性能使该器件无需结构改动即可同时用作功率信号驱动器和光学探测器,成为多功能应用的多用途选择。
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引用次数: 0
Influence of nitridation time on growth of AlN layers on different sapphire substrate off-cut angles 氮化时间对不同蓝宝石衬底偏角上氮化铝层生长的影响
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-19 DOI: 10.1016/j.mssp.2024.109130
Noratiqah Yusop , Yusnizam Yusuf , Muhammad Esmed Alif Samsudin , Nor Syafiqah Azmi , Mohd Anas Ahmad , Narong Chanlek , Norzaini Zainal
This work describes the role of nitridation time and off-cut angles of sapphire in improving growth of AlN layers. It was found that the nitridation formed AlON layer, of which this layer can be useful for improving the atomic arrangement of overgrown AlN layers. Based on FHWMs of XRD-rocking curve (XRC-FWHMs), the TDD decreases with increasing nitridation time up to 20 min, especially for the AlN layer grown on 0.5° off-cut sapphire. Meanwhile, as revealed by N1s XPS spectra, prolonged nitridation tends to destroy the AlON layer, thereby increasing the TDD. In general, the impact of the sapphire off-cut angles on the TDD reduction is insignificant, especially with longer nitridation. Moreover, the surface roughness of the AlN layers can be reduced by increasing nitridation time, including the ones grown on 3.0° off-cut sapphire. It is worth noting that macro-steps typically observed on the surface of AlN on higher off-cut angles of sapphire are less evident in this work. This indicates that the initiation of macro-steps or step-bunching can be suppressed by nitridation. However, this limits the TDs inclination which is also an essential in reducing the TDD.
这项研究阐述了氮化时间和蓝宝石偏离切割角度在改善氮化铝层生长中的作用。研究发现,氮化会形成 AlON 层,该层有助于改善氮化铝层的原子排列。根据 XRD-rocking 曲线的 FHWMs(XRC-FWHMs),氮化时间越长,TDD 越小,最长可达 20 分钟,尤其是生长在 0.5° 偏切蓝宝石上的氮化铝层。同时,正如 N1s XPS 光谱显示的那样,长时间的氮化会破坏 AlON 层,从而增加 TDD。总的来说,蓝宝石偏离切割角度对 TDD 降低的影响不大,特别是在氮化时间较长的情况下。此外,氮化时间越长,氮化铝层的表面粗糙度就越低,包括在偏离切割角度为 3.0° 的蓝宝石上生长的氮化铝层。值得注意的是,在这项研究中,通常在偏切角较高的蓝宝石上观察到的氮化铝表面宏观阶梯并不明显。这表明氮化可以抑制大台阶或台阶堆积的产生。不过,这也限制了 TDs 的倾斜度,而 TDs 的倾斜度也是降低 TDD 的关键。
{"title":"Influence of nitridation time on growth of AlN layers on different sapphire substrate off-cut angles","authors":"Noratiqah Yusop ,&nbsp;Yusnizam Yusuf ,&nbsp;Muhammad Esmed Alif Samsudin ,&nbsp;Nor Syafiqah Azmi ,&nbsp;Mohd Anas Ahmad ,&nbsp;Narong Chanlek ,&nbsp;Norzaini Zainal","doi":"10.1016/j.mssp.2024.109130","DOIUrl":"10.1016/j.mssp.2024.109130","url":null,"abstract":"<div><div>This work describes the role of nitridation time and off-cut angles of sapphire in improving growth of AlN layers. It was found that the nitridation formed AlON layer, of which this layer can be useful for improving the atomic arrangement of overgrown AlN layers. Based on FHWMs of XRD-rocking curve (XRC-FWHMs), the TDD decreases with increasing nitridation time up to 20 min, especially for the AlN layer grown on 0.5° off-cut sapphire. Meanwhile, as revealed by N1s XPS spectra, prolonged nitridation tends to destroy the AlON layer, thereby increasing the TDD. In general, the impact of the sapphire off-cut angles on the TDD reduction is insignificant, especially with longer nitridation. Moreover, the surface roughness of the AlN layers can be reduced by increasing nitridation time, including the ones grown on 3.0° off-cut sapphire. It is worth noting that macro-steps typically observed on the surface of AlN on higher off-cut angles of sapphire are less evident in this work. This indicates that the initiation of macro-steps or step-bunching can be suppressed by nitridation. However, this limits the TDs inclination which is also an essential in reducing the TDD.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109130"},"PeriodicalIF":4.2,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706012","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Raman activity, piezoelectric response, and carrier mobility in two-dimensional Janus TiGeZ3H (Z= N, P, As) semiconductors: A first-principles prediction 二维 Janus TiGeZ3H(Z= N、P、As)半导体中的拉曼活性、压电响应和载流子迁移率:第一原理预测
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-19 DOI: 10.1016/j.mssp.2024.109102
A.I. Kartamyshev , Nguyen N. Hieu , N.A. Poklonski , Nguyen V. Hieu , Tuan V. Vu , A.A. Lavrentyev , Huynh V. Phuc
In this article, we theoretically propose a series of TiGeZ3H (Z= N, P, As) monolayers and comprehensively investigate their structural, vibrational, piezoelectric, electronic, and transport properties using first-principles simulations. The structural stability of the suggested monolayers is verified by phonon dispersion analysis, ab-initio molecular dynamics calculations, and Born–Huang mechanical stability criteria. Based on the calculations for the mechanical response, it is shown that TiGeN3H is the stiffest material compared to the other two structures with Young’s modulus found to be 252.11 Nm−1. Besides, we also examine the vibrational characteristics of TiGeZ3H through the analysis of their phonon spectra and Raman active modes. Due to the broken vertical mirror symmetry, TiGeZ3H monolayers possess both out-of-plane and in-plane piezoelectric responses, in particular, the out-of-plane piezoelectric coefficient of TiGeAs3H is computed to be up to 0.42 pm/V. Janus TiGeZ3H monolayers are found to be indirect semiconductors with decreasing bandgap as Z changes from N to As. Particularly, the Rashba spin splitting is found in TiGeAs3H when the spin–orbit coupling is taken into account. The calculations for the transport features indicate that while TiGeN3H monolayer exhibits low electron mobility, both TiGeP3H and TiGeAs3H have electron mobility μx over 400 cm2V−1s−1, which is suitable for applications in electronics.
本文从理论上提出了一系列 TiGeZ3H(Z= N、P、As)单层,并利用第一性原理模拟全面研究了它们的结构、振动、压电、电子和传输特性。通过声子色散分析、非原位分子动力学计算和 Born-Huang 力学稳定性标准,验证了所建议单层的结构稳定性。根据力学响应的计算结果,与其他两种结构相比,TiGeN3H 是最坚硬的材料,其杨氏模量为 252.11 Nm-1。此外,我们还通过分析 TiGeZ3H 的声子光谱和拉曼有效模式来研究其振动特性。由于垂直镜像对称性被打破,TiGeZ3H 单层具有面外和面内压电响应,尤其是 TiGeAs3H 的面外压电系数计算值高达 -0.42 pm/V。研究发现,Janus TiGeZ3H 单层是间接半导体,其带隙随着 Z 从 N 到 As 的变化而减小。特别是,当考虑到自旋轨道耦合时,在 TiGeAs3H 中发现了拉什巴自旋分裂。对传输特性的计算表明,虽然 TiGeN3H 单层的电子迁移率较低,但 TiGeP3H 和 TiGeAs3H 的电子迁移率 μx 均超过 400 cm2V-1s-1,适合应用于电子领域。
{"title":"Raman activity, piezoelectric response, and carrier mobility in two-dimensional Janus TiGeZ3H (Z= N, P, As) semiconductors: A first-principles prediction","authors":"A.I. Kartamyshev ,&nbsp;Nguyen N. Hieu ,&nbsp;N.A. Poklonski ,&nbsp;Nguyen V. Hieu ,&nbsp;Tuan V. Vu ,&nbsp;A.A. Lavrentyev ,&nbsp;Huynh V. Phuc","doi":"10.1016/j.mssp.2024.109102","DOIUrl":"10.1016/j.mssp.2024.109102","url":null,"abstract":"<div><div>In this article, we theoretically propose a series of TiGe<span><math><msub><mrow><mi>Z</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>H (<span><math><mrow><mi>Z</mi><mo>=</mo></mrow></math></span> N, P, As) monolayers and comprehensively investigate their structural, vibrational, piezoelectric, electronic, and transport properties using first-principles simulations. The structural stability of the suggested monolayers is verified by phonon dispersion analysis, <em>ab-initio</em> molecular dynamics calculations, and Born–Huang mechanical stability criteria. Based on the calculations for the mechanical response, it is shown that TiGeN<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>H is the stiffest material compared to the other two structures with Young’s modulus found to be 252.11 Nm<sup>−1</sup>. Besides, we also examine the vibrational characteristics of TiGe<span><math><msub><mrow><mi>Z</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>H through the analysis of their phonon spectra and Raman active modes. Due to the broken vertical mirror symmetry, TiGe<span><math><msub><mrow><mi>Z</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>H monolayers possess both out-of-plane and in-plane piezoelectric responses, in particular, the out-of-plane piezoelectric coefficient of TiGeAs<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>H is computed to be up to <span><math><mrow><mo>−</mo><mn>0</mn><mo>.</mo><mn>42</mn></mrow></math></span> pm/V. Janus TiGe<span><math><msub><mrow><mi>Z</mi></mrow><mrow><mn>3</mn></mrow></msub></math></span>H monolayers are found to be indirect semiconductors with decreasing bandgap as <span><math><mi>Z</mi></math></span> changes from N to As. Particularly, the Rashba spin splitting is found in TiGeAs<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>H when the spin–orbit coupling is taken into account. The calculations for the transport features indicate that while TiGeN<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>H monolayer exhibits low electron mobility, both TiGeP<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>H and TiGeAs<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>H have electron mobility <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>x</mi></mrow></msub></math></span> over 400 cm<span><math><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup></math></span>V<sup>−1</sup>s<sup>−1</sup>, which is suitable for applications in electronics.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109102"},"PeriodicalIF":4.2,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of 5 MeV proton irradiation on electrical and trap characteristics of β-Ga2O3 power diode 5 MeV 质子辐照对 β-Ga2O3 功率二极管电气和陷阱特性的影响
IF 4.2 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-19 DOI: 10.1016/j.mssp.2024.109121
Haolan Qu , Wei Huang , Yu Zhang , Jin Sui , Ge Yang , Jiaxiang Chen , David Wei Zhang , Yuangang Wang , Yuanjie Lv , Zhihong Feng , Xinbo Zou
In this study, impact of 5 MeV proton irradiation with radiation fluence of 1013 cm−2 on β-Ga2O3 power diode is investigated by a β-Ga2O3 Schottky barrier diode (SBD). Via temperature-dependent measurements, carrier removal rate RC is determined to be 7.26 × 102 cm−1 at 300 K. Meanwhile, the threshold voltage (Von) and ideality factor (n) almost remain stable after proton irradiation. A close-to-unity n was observed for a wide temperature range indicating near-ideal Schottky characteristics. Dynamic degradation was observed at 300K, but was greatly suppressed at a low temperature of 100K. Meanwhile, two more bulk traps are discovered in proton irradiated β-Ga2O3 SBD by deep-level transient spectroscopy (DLTS). The larger corrected trap concentration (NTa) in proton irradiated β-Ga2O3 SBD was regarded as the reason behind slightly worsened dynamic on-resistance instability at 300 K. Furthermore, lower low frequency noise is revealed for proton irradiated device at room temperature and cryogenic temperature. The study demonstrates the competitive irradiation hardness of β-Ga2O3 power diodes and paves a solid path for the deployment of β-Ga2O3 in space.
本研究通过一个 β-Ga2O3 肖特基势垒二极管 (SBD),研究了 1013 cm-2 辐射通量的 5 MeV 质子辐照对 β-Ga2O3 功率二极管的影响。同时,质子辐照后,阈值电压(Von)和理想因子(n)几乎保持稳定。在很宽的温度范围内都能观察到接近统一的 n,这表明肖特基特性接近理想。在 300K 温度下观察到了动态退化,但在 100K 的低温下被大大抑制。同时,通过深层瞬态光谱(DLTS),在质子辐照过的β-Ga2O3 SBD 中又发现了两个体阱。质子辐照的 β-Ga2O3 SBD 中校正陷阱浓度(NTa)较大,这被认为是 300 K 时动态导通电阻不稳定性略微恶化的原因。这项研究证明了β-Ga2O3功率二极管具有竞争性的辐照硬度,并为将β-Ga2O3应用于太空铺平了道路。
{"title":"Effect of 5 MeV proton irradiation on electrical and trap characteristics of β-Ga2O3 power diode","authors":"Haolan Qu ,&nbsp;Wei Huang ,&nbsp;Yu Zhang ,&nbsp;Jin Sui ,&nbsp;Ge Yang ,&nbsp;Jiaxiang Chen ,&nbsp;David Wei Zhang ,&nbsp;Yuangang Wang ,&nbsp;Yuanjie Lv ,&nbsp;Zhihong Feng ,&nbsp;Xinbo Zou","doi":"10.1016/j.mssp.2024.109121","DOIUrl":"10.1016/j.mssp.2024.109121","url":null,"abstract":"<div><div>In this study, impact of 5 MeV proton irradiation with radiation fluence of 10<sup>13</sup> cm<sup>−2</sup> on <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> power diode is investigated by a <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> Schottky barrier diode (SBD). Via temperature-dependent measurements, carrier removal rate <em>R</em><sub><em>C</em></sub> is determined to be 7.26 × 10<sup>2</sup> cm<sup>−1</sup> at 300 K. Meanwhile, the threshold voltage (<em>V</em><sub><em>on</em></sub>) and ideality factor (<em>n</em>) almost remain stable after proton irradiation. A close-to-unity <em>n</em> was observed for a wide temperature range indicating near-ideal Schottky characteristics. Dynamic degradation was observed at 300K, but was greatly suppressed at a low temperature of 100K. Meanwhile, two more bulk traps are discovered in proton irradiated <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> SBD by deep-level transient spectroscopy (DLTS). The larger corrected trap concentration (<em>N</em><sub><em>Ta</em></sub>) in proton irradiated <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> SBD was regarded as the reason behind slightly worsened dynamic on-resistance instability at 300 K. Furthermore, lower low frequency noise is revealed for proton irradiated device at room temperature and cryogenic temperature. The study demonstrates the competitive irradiation hardness of <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> power diodes and paves a solid path for the deployment of <em>β</em>-Ga<sub>2</sub>O<sub>3</sub> in space.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109121"},"PeriodicalIF":4.2,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142705355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Materials Science in Semiconductor Processing
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