Journal of Materiomics最新文献_第7页

Thermal anisotropy in chopped Cf reinforced SiC composites by laser printing and polymer infiltration-pyrolysis techniques 激光打印和聚合物渗透热解技术制备短切Cf增强SiC复合材料的热各向异性

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-08-22 DOI: 10.1016/j.jmat.2025.101124

Huisheng Tian , Yan Zhou , Jie Yin , Buhao Zhang , Li Wang , Jiayi Geng , Zhengren Huang

Directional thermal transport materials enable anisotropic heat flow, thereby enhancing the efficiency of thermal management systems. These materials have found broad applications in aerospace, electronics, and automotive industries. Silicon carbide (SiC) based composites, with their exceptional properties including high modulus, thermal stability, and superior thermal conductivity, serve as an ideal structural material. Strategic manipulation over microstructure and composition enables directional thermal management, expanding applicability in thermal management and achieving structural-functional integration. By combining selective laser printing with precursor impregnation and pyrolysis (PIP), this work presents an innovative approach to fabricating thermally anisotropic C_f/SiC composites that integrate both structural and functional properties. The optimized composite (20% (in volume) chopped C_f) exhibited high fiber alignment (f_p = 0.7677) and pronounced thermal anisotropy, with thermal conductivities of 70.14 W/(m·K) perpendicular and 38.87 W/(m·K) parallel to the printing plane (anisotropy ratio: 1.8). This directional heat transport, enabled by fiber orientation and phonon scattering control, is critical for advanced thermal management. The composite also maintained good mechanical strength, exhibiting a flexural strength of (150.4 ± 9.8) MPa parallel to the printing plane, finalizing in a structural and functional integration.

定向热传输材料可以实现各向异性热流，从而提高热管理系统的效率。这些材料在航空航天、电子和汽车工业中得到了广泛的应用。碳化硅（SiC）基复合材料具有优异的性能，包括高模量、热稳定性和优越的导热性，是理想的结构材料。通过对微观结构和成分的策略性控制，实现了定向热管理，扩大了热管理的适用性，实现了结构功能的整合。通过将选择性激光打印与前驱体浸没和热解（PIP）相结合，本研究提出了一种创新的方法来制造具有结构和功能特性的热各向异性Cf/SiC复合材料。优化后的复合材料（体积比例为20%）具有较高的纤维取向性（fp = 0.7677）和明显的热各向异性，在印刷平面垂直和平行方向的导热系数分别为70.14 W/（m·K）和38.87 W/(m·K)（各向异性比为1.8）。这种通过光纤定向和声子散射控制实现的定向热传输对于先进的热管理至关重要。该复合材料还保持了良好的机械强度，平行于打印平面的弯曲强度为（150.4±9.8）MPa，最终实现了结构和功能的一体化。

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引用次数: 0

Microwave/terahertz dielectric properties of high-Q willemite ceramics: Dual control through non-stoichiometric design and Ge4+ substitution 高q碲陶瓷的微波/太赫兹介电性能：通过非化学计量设计和Ge4+取代的双重控制

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-08-20 DOI: 10.1016/j.jmat.2025.101118

Yutian Lu, Weijia Guo, Chongyang Zhang, Bowen Yin, Hui Zhang, Zhenxing Yue

The advancement of communication technologies demands dielectric materials with superior performance characteristics, particularly low permittivity and minimal dielectric loss. This study investigates Ge⁴⁺-substituted willemite ceramics, including Zn₂Si_1–xGe_xO₄ (ZS-xGe, x = 0 and 0.1) and Zn_1.8Si_1–yGe_yO_3.8 (ZS-yGe, y = 0 to 0.3), synthesized via the conventional solid-state method. The non-stoichiometric design effectively suppresses the formation of ZnO. The intrinsic and extrinsic losses of the ZS-xGe ceramics are separated by a systematic comparative analysis of the dielectric losses in the terahertz band, and the extrinsic losses are fitted by the Drude term in the Lorentz-Drude dielectric response model. Consequently, ZS-yGe ceramics exhibit lower ε_r and significantly improved Q×f values across microwave to terahertz band. In ZnO-free ceramics, Ge⁴⁺ substitution enhances the ionic polarizability, the unit cell volume and the bond strain, increasing ε_r and Q×f values (decreasing intrinsic losses), and decreasing τ_f. The optimized Zn_1.8Si_0.9Ge_0.1O_3.8 ceramics demonstrate superior dielectric properties with ε_r = 6.66, Q×f = 225,500 GHz and τ_f = −60.0 × 10⁻⁶ °C⁻¹ at 12.45 GHz, and ε_r = 7.02, Q×f = 401,800 GHz at 1 THz. These novel ceramics are positioned as promising candidates for next-generation microwave and terahertz communication devices.

通信技术的进步要求介质材料具有优异的性能特征，特别是低介电常数和最小介电损耗。本文研究了采用常规固相法合成的Ge4+取代钛酸铝陶瓷，包括Zn2Si1-xGexO4 （ZS-xGe, x = 0和0.1）和Zn1.8Si1-yGeyO3.8 （ZS-yGe, y = 0 ~ 0.3）。非化学计量设计有效地抑制了ZnO的形成。通过对ZS-xGe陶瓷在太赫兹波段的介电损耗进行系统的比较分析，分离了ZS-xGe陶瓷的本征损耗和外在损耗，并利用Lorentz-Drude介电响应模型中的Drude项拟合了外在损耗。因此，ZS-yGe陶瓷在微波到太赫兹波段表现出较低的εr和显著提高的Q×f值。在无zno陶瓷中，Ge4+取代提高了离子极化率，提高了晶胞体积和键应变，增加了εr和Q×f值（减小了本征损耗），降低了τf。优化Zn1.8Si0.9Ge0.1O3.8陶瓷展示卓越的介电性能与εr = 6.66,问×f = 225500 GHz和τf = −60.0 × 10−6 °C−1 12.45 GHz,和εr = 7.02 Q×f = 401800 GHz 1 太赫兹。这些新型陶瓷被定位为下一代微波和太赫兹通信设备的有前途的候选者。

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引用次数: 0

Inverse design of high-entropy rare-earth monosilicates with superior CMAS corrosion resistance 具有优异CMAS耐蚀性的高熵稀土单硅酸盐的反设计

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-08-14 DOI: 10.1016/j.jmat.2025.101123

Hao Bai , Peng Wei , Lei Zhuang, Hui Wang, Hulei Yu, Yanhui Chu

The exploitation of high-entropy rare-earth monosilicates (HEREMSs) with enhanced calcium-magnesium-aluminum-silicate (CMAS) corrosion resistance is vital for their potential applications as environmental barrier coatings (EBCs). Here, we present an inverse design strategy to explore HEREMSs with superior CMAS corrosion resistance. By high-throughput synthesis and dissolution experiments of equimolar 1–12-cation apatite powders at 1400 °C, four optimized rare-earth elements, Lu, Yb, Er, and Nd, are determined to compositionally screen preferable high-entropy apatite with the lowest dissolution rate in CMAS melt, ultimately facilitating the inversely design of novel (Nd_2/15Er_3/5Yb_2/15Lu_2/15)₂SiO₅ (HEREMS-1). Further CMAS corrosion experiments have verified its superior CMAS corrosion resistance at temperatures up to 1500 °C, exceeding the performance of previously reported EBC materials. Our work paves an alternative way for developing HEREMSs with exceptional CMAS corrosion resistance, making them highly suitable for future EBC applications.

开发具有增强钙镁铝硅酸盐（CMAS）耐腐蚀性的高熵稀土单硅酸盐（HEREMSs）对于其作为环境屏障涂层（EBCs）的潜在应用至关重要。在这里，我们提出了一种逆向设计策略，以探索具有优异CMAS耐腐蚀性的herems。通过对等摩尔1 - 12阳离子磷灰石粉体在1400℃下的高通量合成和溶解实验，确定了4种稀土元素Lu、Yb、Er和Nd，优选出在CMAS熔体中溶解速率最低的高熵磷灰石，最终实现了新型（Nd2/15Er3/5Yb2/15Lu2/15）2SiO5 （herem -1）的反设计。进一步的CMAS腐蚀实验验证了其在高达1500°C的温度下具有优越的CMAS耐腐蚀性，超过了先前报道的EBC材料的性能。我们的工作为开发具有卓越CMAS耐腐蚀性的herems铺平了另一种方式，使其非常适合未来的EBC应用。

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引用次数: 0

Metallic grain boundary resistance in the high temperature thermoelectric La3Te4 高温热电la3te4的金属晶界电阻

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-08-14 DOI: 10.1016/j.jmat.2025.101116

Duncan Zavanelli , Eleonora Isotta , Ruben Bueno Villoro , Siyuan Zhang , Christina Scheu , Sabah Bux , G.Jeffrey Snyder

Electrical resistance from grain boundaries limits the thermoelectric performance of many materials. Boundary resistance is typically observed as an increase in resistivity at low temperature that decays exponentially with temperature like the resistivity of an insulator. As a result, engineering studies to mitigate boundary resistance have focused on low temperature thermoelectrics like Mg₃Sb₂ or improving the average zT of fine-grained, mid-temperature thermoelectrics like half-Heuslers. With less impact at high temperature, there has been little motivation to mitigate boundary resistance in high temperature materials. In this work, we demonstrate that it is necessary to consider grain boundary resistance even in high temperature thermoelectrics by improving thermoelectric performance at temperatures up to 1000 °C in La₃Te₄ by increasing grain size. In contrast with previous reports, this improved performance is largest at high rather than low temperatures. This is a result of a form of boundary resistance not previously reported in thermoelectric materials: uncharged or metallic boundary resistance. We observe a boundary resistance that increases linearly with temperature as expected in metals. With both this new form of boundary resistance and improved high temperature performance in La₃Te₄, we have demonstrated that grain boundary engineering is necessary even for high temperature applications.

晶界的电阻限制了许多材料的热电性能。通常观察到的边界电阻是在低温下电阻率的增加，其随温度呈指数衰减，就像绝缘体的电阻率一样。因此，减轻边界电阻的工程研究主要集中在低温热电材料（如Mg3Sb2）或提高细晶粒、中温热电材料（如半heuslers）的平均zT。由于在高温下的冲击较小，在高温材料中很少有动力减轻边界阻力。在这项工作中，我们证明了即使在高温热电材料中也有必要考虑晶界电阻，通过增加La3Te4的晶粒尺寸来改善温度高达1000°C的热电性能。与之前的报道相反，这种改进的性能在高温下最大，而不是低温下。这是一种以前未在热电材料中报道过的边界电阻形式的结果：不带电或金属边界电阻。我们观察到，在金属中，边界电阻随温度线性增加。通过这种新的边界电阻形式和La3Te4中改进的高温性能，我们已经证明了即使在高温应用中，晶界工程也是必要的。

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引用次数: 0

Synergistic effect of tri-doping with Mn, Ge, and Bi and thermoelectric enhancement of SnTe induced by grain boundary engineering and nanostructuring Mn、Ge和Bi三掺杂的协同效应与晶界工程和纳米结构诱导的SnTe热电增强

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-08-13 DOI: 10.1016/j.jmat.2025.101119

Donghyun Shin , U. Sandhya Shenoy , Hyejeong Choi , Joseph Ngugi Kahiu , Eun-Ji Meang , Kwi-Il Park , Kwan-Ho Park , D. Krishna Bhat , Ho Seong Lee

In this study, we propose grain boundary engineering and nanostructuring to enhance the thermoelectric performance of SnTe through tri-doping with Mn, Ge, and Bi. The synergistic effects on the band structure were analyzed through DFT calculations and validated through a series of doping experiments with each dopant. The nonstoichiometrically tri-doped sample exhibits a unique microstructure, characterized by MnGe precipitates along the grain boundaries and coherently embedded nanostructures within the matrix. These microstructural features, combined with the effects of each dopant, synergistically enhanced the thermoelectric properties, yielding a maximum zT of 1.32 at 873 K. The thermoelectric generator exhibited a maximum output power of 661 μW at ΔT = 485 K, confirming its viability for mid-temperature thermoelectric applications.

在这项研究中，我们提出了晶界工程和纳米结构，以提高SnTe的热电性能，通过三掺杂Mn， Ge和Bi。通过DFT计算分析了协同效应对能带结构的影响，并通过对每种掺杂剂的一系列掺杂实验进行了验证。非化学计量三掺杂样品显示出独特的微观结构，其特征是Mn-Ge沿晶界析出，并且在基体内具有相干嵌入的纳米结构。这些微观结构特征，结合每种掺杂剂的影响，协同增强了热电性能，在873 K时产生了1.32的最大zT。该热电发生器在ΔT = 485 K时的最大输出功率为661 μW，证实了其在中温热电应用的可行性。

引用次数: 0

Controlled doping and growth of SnSe thin films via pulsed laser deposition 脉冲激光沉积法控制SnSe薄膜的掺杂与生长

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-08-13 DOI: 10.1016/j.jmat.2025.101121

Hang Yin , Hongyao Xie , Dezheng Gao , Shulin Bai , Jingying Shi , Ping Fu , Li-Dong Zhao , Can Li

SnSe has received significant attention due to its exceptional optoelectronic and thermoelectric properties, making it a promising candidate for energy conversion applications. To exploit its potential for photo-thermoelectric applications, it is essential to prepare high-quality SnSe single-crystal films and investigate their intrinsic properties and local structure. In this work, pure and Na, Cu doped SnSe films were prepared via pulsed laser deposition (PLD). Orthorhombic SnSe films were successfully deposited along the [100] direction on SrTiO₃ substrates. Our results show that the growth mode of SnSe films transitions from island-by-layer to 3D island growth as the film thickness increases. Notably, SnSe doped with Na and Cu restores a flatter surface even at larger thicknesses, and the current output of the Na and Cu doped SnSe film under optical and thermal excitations exhibited a significant improvement compared to the individual photo-induced and thermal-induced, as well as the sum of both, highlighting its potential for integrated photoelectric-thermoelectric applications.

由于其优异的光电和热电性能，SnSe受到了极大的关注，使其成为能量转换应用的有前途的候选者。为了开发其光热电应用潜力，必须制备高质量的SnSe单晶薄膜，并研究其固有性质和局部结构。本文采用脉冲激光沉积（PLD）法制备了纯SnSe薄膜和掺杂Na、Cu的SnSe薄膜。在SrTiO3衬底上沿[100]方向成功地沉积了正交SnSe薄膜。结果表明，随着薄膜厚度的增加，SnSe薄膜的生长方式由逐层岛生长转变为三维岛生长。值得注意的是，掺有Na和Cu的SnSe薄膜即使在更大的厚度下也能恢复更平坦的表面，并且在光激发和热激发下，Na和Cu掺杂SnSe薄膜的电流输出比单独的光诱导和热诱导以及两者的总和都有显著的改善，突出了其光电-热电集成应用的潜力。

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引用次数: 0

Uncovering charge transport dynamics and electrostatic storage origin for high-energy-density polymer films through configuration-tailored PDA@KNb3O8 fillers 通过配置定制PDA@KNb3O8填料揭示高能量密度聚合物薄膜的电荷传输动力学和静电存储起源

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-08-13 DOI: 10.1016/j.jmat.2025.101120

Ziyue Wang , Jiajun Zhu , Jiyang Xie , Chengding Gu , Wanbiao Hu

Tuning the structure-activity of fillers and matrix is crucial for designing polymer-based dielectric capacitors with high energy storage performance. Up to date, how the fillers’ structural characteristics (surface/interface configurations, dimensions, orientations etc.) contribute to the overall energy storage is far from unveiled. To this end, a combined filler-polymer dual-side design strategy is developed, which involves the DFT guidance for the electronic transport criteria for the designable synthesis of KNb₃O₈ fillers. Four different structural configurations are constructed, which are surface-modified with polydopamine (PDA) to fabricate the final composite films, i.e. PDA@KNb₃O₈/PVDF-P(VDF-HFP)-PMMA with particular orientations and arrangements, through a well-controlled solution casting method. Comprehensive structural and electrical investigations reveal that 1D/2D-orientated PDA@KNb₃O₈ fillers could obviously enhance the breakdown field and energy storage performance. The difference is that the 1D fillers more effectively improve the energy efficiency (up to 72%), while the 2D fillers more steadily achieve high energy density (U_e = 28.35 J/cm³) among the highest U_e reported for the composites. This work not only uncovers the structural origin of the electrostatic storage in inorganic-polymer composite films but also provides critical insights in designing high-energy-density film capacitors.

调整填料和基体的结构活性是设计具有高储能性能的聚合物基介质电容器的关键。迄今为止，填料的结构特性（表面/界面配置、尺寸、方向等）对整体储能的贡献还远未揭晓。为此，开发了一种复合填料-聚合物双面设计策略，其中包括DFT指导的电子输运准则，用于可设计合成KNb3O8填料。构建了四种不同的结构构型，用聚多巴胺（PDA）对其表面进行修饰，通过控制良好的溶液浇铸法制备出具有特定取向和排列的最终复合膜PDA@KNb3O8/PVDF-P(VDF-HFP)-PMMA。综合结构和电学研究表明，1D/ 2d取向PDA@KNb3O8填料可以明显增强击穿场和储能性能。不同之处在于，1D填料更有效地提高了能量效率（高达72%），而2D填料更稳定地实现了高能量密度（Ue= 28.35 J/cm3），是复合材料中Ue最高的。这项工作不仅揭示了无机聚合物复合薄膜中静电存储的结构根源，而且为设计高能量密度薄膜电容器提供了重要的见解。

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引用次数: 0

Engineering phase transition and ferroelectric properties in acceptor-doped HfO2/SrRuO3 thin-film heterostructures by a charge-balance synergistic strategy 基于电荷平衡协同策略掺杂HfO2/SrRuO3薄膜异质结构的工程相变和铁电性能

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-08-12 DOI: 10.1016/j.jmat.2025.101122

Yuhao Yue , Xixiang Jing , Weijie Zheng , Jiufu Li , Chunyan Zheng , Xiaoli Fan , Kepeng Song , Tengfei Cao , Zheng Wen

In HfO₂, the stabilization of orthorhombic phase is crucial for hafnia-based ferroelectric devices. Here, we propose a charge-balance synergistic strategy to modulate phase transition and optimize ferroelectric properties in acceptor-doped HfO₂ thin-film heterostructures. Sm-doped HfO₂/SrRuO₃ heterostructures are adopted as the platform, in which the acceptor

{Sm}_{Hf}^{'}

introduces extra holes into the HfO₂ controlled by doping concentration, while the SrRuO₃ electrode injects electrons depended on termination-controlled surface work function. Transition from monoclinic to orthorhombic and then to tetragonal phase is observed with increasing Sm concentration. The Sm-doping region for improved ferroelectricity is found to be depended on SrRuO₃ termination. These behaviors are ascribed to the charge-balance effect that combines the acceptor doping and the interface injection in the heterostructures. The holes in HfO₂ lattices are thus modulated to dominantly distribute on specific oxygen sublattices, lowering the relative energy between monoclinic and orthorhombic phases. We also extend the study into other acceptor-doped HfO₂, such as La³⁺ and Eu³⁺, and observe almost identical phase transition and ferroelectric behaviors. Our findings provide more physical insights into the stabilization of orthorhombic phase and open a new gateway for designing high-performance ferroelectric HfO₂ devices by harnessing both the electrode structures and the HfO₂-based layers in heterostructure systems.

在HfO2中，正交相的稳定是基于铪的铁电器件的关键。在这里，我们提出了一种电荷平衡协同策略来调节受体掺杂HfO2薄膜异质结构的相变和优化铁电性能。采用sm掺杂HfO2/SrRuO3异质结构为平台，受体在掺杂浓度控制的HfO2中引入额外空穴，SrRuO3电极通过末端控制的表面功函数注入电子。随着Sm浓度的增加，观察到从单斜相到正交相再到四方相的转变。提高铁电性的sm掺杂区域取决于SrRuO3的终止。这些行为归因于异质结构中受体掺杂和界面注入相结合的电荷平衡效应。因此，HfO2晶格中的空穴被调制成主要分布在特定的氧亚晶格上，降低了单斜相和正交相之间的相对能量。我们还将研究扩展到其他受体掺杂的HfO2，如La3+和Eu3+，并观察到几乎相同的相变和铁电行为。我们的研究结果为正交相的稳定提供了更多的物理见解，并通过利用异质结构系统中的电极结构和HfO2基层，为设计高性能铁电HfO2器件开辟了新的途径。

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引用次数: 0

Development of n-type Ti2CoNiSb2 double half-Heusler compound by the breaking of valence-balanced rule and achieving high thermoelectric performance via Bi/Cu co-doping 打破价平衡规律，通过Bi/Cu共掺杂制备n型Ti2CoNiSb2双半heusler化合物，获得高热电性能

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-08-07 DOI: 10.1016/j.jmat.2025.101114

Rahidul Hasan , Seungki Jo , Seung Yong Lee , Yan Gu , Kyung Tae Kim , Dong Won Chun , Sang-il Kim , Hyun-Sik Kim , Kyu Hyoung Lee

Half-Heusler (HH) thermoelectric materials exhibit excellent electronic transport properties but suffer from intrinsically high lattice thermal conductivity, which limits their thermoelectric performance. To address this challenge, double half-Heusler (DHH) compounds with 18 valence electrons have recently been proposed. However, the disordered nature of DHH phases often degrades their electronic transport properties, hindering the achievement of high thermoelectric conversion efficiency. In this work, we design a new n-type Ti₂CoNiSb₂ DHH compound with 18.5 valence electrons by combining TiCoSb and TiNiSb half-Heuslers, intentionally breaking the conventional valence balance. Furthermore, the effects of Cu and Bi doping at the Ni and Sb sites, respectively, are systematically investigated. Cu doping effectively enhances phonon scattering through point defects, while Bi doping significantly improves the weighted mobility. When Cu and Bi are co-doped, phonon scattering is further strengthened, particularly at high temperatures, and the weighted mobility is simultaneously increased. As a result, a peak figure of merit (zT) of ∼0.82 is achieved at 973 K in Ti₂CoNi_0.9Cu_0.1(Sb_0.925Bi_0.075)₂, nearly four times higher than that of the pristine Ti₂CoNiSb₂ (zT ∼0.22). This work highlights the effectiveness of co-doping strategies that simultaneously optimize thermal and electronic transport properties in DHH thermoelectric systems.

半赫斯勒（HH）热电材料具有优异的电子输运性能，但其固有的高晶格导热系数限制了其热电性能。为了解决这一挑战，最近提出了具有18个价电子的双半赫斯勒（DHH）化合物。然而，DHH相的无序性往往会降低其电子输运性质，阻碍了高热电转换效率的实现。在这项工作中，我们设计了一个新的n型Ti2CoNiSb2 DHH化合物，通过将TiCoSb和TiNiSb半heuslers结合，有意打破传统的价平衡，具有18.5个价电子。此外，系统地研究了Cu和Bi分别在Ni和Sb位点掺杂的影响。Cu掺杂有效地增强了声子通过点缺陷的散射，Bi掺杂则显著提高了加权迁移率。当Cu和Bi共掺杂时，声子散射进一步增强，特别是在高温下，加权迁移率同时提高。结果，在973 K时，Ti2CoNi0.9Cu0.1(Sb0.925Bi0.075)2的峰值品质值（zT）达到了~ 0.82，几乎是原始Ti2CoNiSb2 （zT ~ 0.22）的四倍。这项工作强调了在DHH热电系统中同时优化热输运和电子输运特性的共掺杂策略的有效性。

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引用次数: 0

Utilization of oxygen content modulated Ru electrode to examine the interfacial redox chemistry of ferroelectric Hf0.5Zr0.5O2 利用氧含量调制Ru电极研究铁电材料Hf0.5Zr0.5O2的界面氧化还原化学

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2025-07-25 DOI: 10.1016/j.jmat.2025.101110

Kun Yang , Hyojun Choi , Ji Sang Ahn , Eun Ji Ju , Dong In Han , Se Hyun Kim , Ju Yong Park , Heejin Hong , Kwan Hyun Park , Jeong Hwan Han , Min Hyuk Park

The impact of oxygen content in the Ru electrode, grown using atomic layer deposition on ferroelectricity in Hf_0.5Zr_0.5O₂ film is investigated. The oxygen content in Ru can be modulated by simply adjusting the deposition temperature from 210 °C to 300 °C. Higher oxygen content in Ru reduces the oxygen vacancy concentration in subsequently grown Hf_0.5Zr_0.5O₂ film, thereby mitigating the wake-up effect. However, the monoclinic phase fraction increased with decreasing Ru deposition temperature, resulting in a decrease in remanent polarization. The decreased oxygen vacancy concentration by oxygen diffusion from Ru electrode deposited at 210 °C could decrease the leakage current density compared to that grown at higher temperatures. Nonetheless, the switching endurance of Hf_0.5Zr_0.5O₂ film grown on Ru deposited at 210 °C was shorter than those on Ru deposited at 300 °C by 2 order of magnitude, being attributed to the oxygen diffusion caused interfacial damages. This observation suggests that the interfacial redox reactions between the electrode and Hf_0.5Zr_0.5O₂ critically influence defect concentration, polymorphism, and the resulting ferroelectricity when using an atomic layer deposited Ru electrode to examine the impact of interfacial redox chemistry.

研究了原子层沉积法制备Ru电极中氧含量对Hf0.5Zr0.5O2薄膜铁电性的影响。通过将沉积温度从210°C调节到300°C，可以调节Ru中的氧含量。Ru中较高的氧含量降低了随后生长的Hf0.5Zr0.5O2膜中的氧空位浓度，从而减轻了唤醒效应。而随着Ru沉积温度的降低，单斜相分数增加，导致残余极化减小。与高温下生长的电极相比，210℃下沉积的Ru电极由于氧扩散导致氧空位浓度降低，以及较高的O含量导致Ru的功函数增大，从而降低了泄漏电流密度。然而，在210°C沉积的Ru上生长的Hf0.5Zr0.5O2薄膜的开关寿命比在更高温度下沉积的Ru短2个数量级，这是由于氧扩散引起的界面损伤。这一观察结果表明，当使用原子层沉积的Ru电极来研究界面氧化还原化学的影响时，电极与Hf0.5Zr0.5O2之间的界面氧化还原反应对缺陷浓度、多态性以及由此产生的铁电性有重要影响。

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引用次数: 0