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Efficient and stable perovskite solar cells based on multi-active sites 5-amino-1,3,4-thiadiazole-2-thiol modified interface 基于多活性位点 5-氨基-1,3,4-噻二唑-2-硫醇修饰界面的高效稳定的过氧化物太阳能电池
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-10-02 DOI: 10.1016/j.mtphys.2024.101564
Jing Xu, Jihuai Wu, Qingshui Zheng, Lin Gao, Sheng Tang, Fuda Yu, Weihai Sun, Zhang Lan
The highest certification efficiency of perovskite solar cells (PSCs) has reached 26.7 %. However, the high defect density on the surface of perovskite films prepared by low temperature solution method and the energy mismatch between the carrier transport layers and perovskite layer (PVK) greatly limit the performance improvement of PSCs. The introduction of passivating agent to modify the perovskite interface and grain boundary can reduce the defect density, coordinate the energy level effectively, and improve the efficiency and stability of devices. A Lewis base molecule 5-amino-1,3,4-thiadiazole-2-thiol (AMTD) with multiple active sites is introduced at the interface between PVK and hole transport layer (HTL). The electron-rich groups, such as = S, –S–, –NH2, –N on AMTD, passivate the positive electrical defects on the interface and grain boundary, and increase carrier transport efficiency. The interfacial energy level array is optimized to achieve more efficient charge transportation. In addition, the modified of AMTD has a significant protective effect on the perovskite, which inhibit the moisture erosion of in environment. Consequently, the AMTD-optimized device achieves a power conversion efficiency (PCE) of 24.13 %, compared to the efficiency of 21.62 % for pristine device. The stability of the devices is improved greatly.
过氧化物太阳能电池(PSC)的最高认证效率已达到 26.7%。然而,低温溶液法制备的过氧化物薄膜表面缺陷密度高,载流子传输层与过氧化物层(PVK)之间能量不匹配,极大地限制了过氧化物太阳能电池性能的提高。引入钝化剂对包晶石界面和晶界进行改性,可以降低缺陷密度,有效协调能级,提高器件的效率和稳定性。在 PVK 和空穴传输层(HTL)的界面上引入了具有多个活性位点的路易斯碱分子 5-氨基-1,3,4-噻二唑-2-硫醇(AMTD)。AMTD 上的富电子基团(如 = S、-S-、-NH2、-N)可钝化界面和晶界上的正电缺陷,提高载流子传输效率。通过优化界面能级阵列,可实现更高效的电荷传输。此外,AMTD 的改性对包晶石具有显著的保护作用,可抑制环境中的湿气侵蚀。因此,经过 AMTD 优化的器件实现了 24.13% 的功率转换效率 (PCE),而原始器件的效率仅为 21.62%。器件的稳定性也大大提高。
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引用次数: 0
Enhanced non-equilibrium Peltier cooling through electron gas expansion: A Monte Carlo simulation study 通过电子气体膨胀增强非平衡珀尔帖制冷:蒙特卡罗模拟研究
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-28 DOI: 10.1016/j.mtphys.2024.101561
Mona Zebarjadi , Farjana Ferdous Tonni , Kazuaki Yazawa , Ali Shakouri
We demonstrate enhanced Peltier cooling at the nanoscale using geometrical constriction. This nozzle structure leads to electron expansion under an applied bias, which in turn results in additional cooling. This extra cooling enhances the overall Peltier effect when the electrons are out of equilibrium with the lattice. An ensemble Monte Carlo simulation is used to demonstrate the non-equilibrium expansion of an electron gas using nanoscale trapezoidal geometric confinement. The proposed device operates under steady-state conditions, providing enhanced cooling compared to a one-dimensional flat geometry. We observe a five-fold increase in both the maximum cooling temperature and cooling power density, reaching more than 5 kW/cm2, when comparing the trapezoidal geometry to the regular flat geometry.
我们展示了利用几何收缩在纳米尺度上增强的珀尔帖冷却。这种喷嘴结构导致电子在外加偏压下膨胀,进而产生额外冷却。当电子与晶格失去平衡时,这种额外的冷却会增强整体的珀尔帖效应。利用集合蒙特卡洛模拟演示了使用纳米级梯形几何约束的电子气体的非平衡膨胀。与一维平面几何相比,所提出的装置在稳态条件下运行,提供了更强的冷却能力。我们观察到,梯形几何与普通平面几何相比,最大冷却温度和冷却功率密度都提高了五倍,达到 5 kW/cm2 以上。
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引用次数: 0
A high stretchability micro-crack tactile sensor system based on strain-isolation substrate 基于应变隔离基底的高拉伸性微裂缝触觉传感器系统
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-27 DOI: 10.1016/j.mtphys.2024.101562
Xiaojun Pan , Jing Li , Zhangsheng Xu , Yue Liu , Wenchao Gao , Rongrong Bao , Caofeng Pan
The integration of inflexible constituents onto pliable substrates is widely acknowledged as the most pragmatic approach for the realization of stretchable electronics. Nevertheless, the assurance of enduring connectivity between rigid electrode components and these compliant substrates poses a formidable quandary. In the scope of our investigation, we proffer a resolution by conceptualizing a PDMS substrate replete with strain isolation partitions, which can generate Young's modulus difference of approximately 30 times. These partitions efficaciously safeguard the steadfast linkage between rigid components and electrodes, even under diverse strain provocations, a stable connection can be maintained even when able to withstand strain exceeding 120 %. Using this substrate, we constructed a visual deformation sensing system based on microcrack type sensors. Compared with traditional flexible substrates (2 % strain), systems based on strain isolation substrates have better tensile stability (10 % strain). This groundbreaking innovation bestows stretchable micro-crack strain-sensing systems the resilience to contend with the potentially formidable rigors of everyday application.
将非柔性元件集成到柔性基底上被公认为是实现可拉伸电子器件的最实用方法。然而,如何确保刚性电极元件与这些柔性基底之间的持久连接是一个棘手的难题。在我们的研究范围内,我们提出了一种解决方案,即在 PDMS 衬底上设置应变隔离隔板,可产生约 30 倍的杨氏模量差。这些隔板能有效保护刚性元件和电极之间的稳定连接,即使在不同的应变刺激下,也能保持稳定的连接,甚至能承受超过 120% 的应变。利用这种基板,我们构建了一种基于微裂缝型传感器的视觉形变传感系统。与传统的柔性基底(2% 应变)相比,基于应变隔离基底的系统具有更好的拉伸稳定性(10% 应变)。这一突破性创新赋予了可拉伸微裂纹应变传感系统以强大的应变能力,使其能够应对日常应用中潜在的严峻考验。
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引用次数: 0
Achieving high thermal conductivity and strong bending strength diamond/aluminum composite via nanoscale multi-interface phase structure engineering 通过纳米级多界面相结构工程实现高导热性和强抗弯强度的金刚石/铝复合材料
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-27 DOI: 10.1016/j.mtphys.2024.101563
Ping Zhu , Qiang Zhang , Yixiao Xia , Yifu Ma , Huasong Gou , Xue Liang , Gaohui Wu
Diamond/aluminum composites, as a new generation of thermal management materials, are caught in the dilemma between inhibiting the formation of Al4C3 and improving the performance. Herein, we proposed a strategy for nanoscale multi-interface phase structure engineering, utilizing a combination of magnetron sputtering and vacuum heat treatment to obtain diamond particles with nanoscale TiC-Ti layers. Prolonging the vacuum heating time increases the content of TiC, but results in significant differences in the morphology and coverage of TiC formed on the diamond(100) and (111) facets. First-principles calculations reveal that the work of adhesion and C-Ti reaction tendency of diamond(100)/Ti are stronger than those of diamond(111)/Ti, clarifying the difference in interfacial properties between diamond/Ti and diamond/TiC. Diamond-TiC-Ti configuration obtained in advance contributes to fabricating the composite with diamond-TiC-Al(Al3Ti) structure, and the multi-interface phase structure is beneficial to improve the interface bonding, adjust the acoustic mismatch, and inhibit the formation of Al4C3. (800 °C 0.5 h)@Ti-coated diamond(100 μm)/aluminum composite with the multi-interface phase exhibits excellent thermal conductivity(646 W m−1 K−1) and outstanding bending strength(358 MPa), exceeding 90 % of the theoretical prediction of the differential effective medium model. The performance of (800 °C 0.5 h)@Ti-coated diamond/aluminum composite is about 30 % higher than that of traditional Ti-coated diamond/aluminum composite. The TiC layer formed by increasing the heat treatment time is thicker and discontinuous, leading to a decrease in the thermal conductivity of the composite and a weakening effect of Al4C3 inhibition. We clarified the formation mechanism of interface structure related to diamond orientation by multi-scale characterization. Based on the thermal conductivity prediction models, the interface structures corresponding to different diamond orientations were considered, and the predicted values showed good consistency with the experimental results. By interface modification engineering, we overcome the dilemma of introducing modified layer to inhibit Al-C reaction while leading to additional interface thermal resistance, providing insights into the interfacial thermal transport mechanism.
金刚石/铝复合材料作为新一代热管理材料,在抑制 Al4C3 的形成和提高性能之间进退两难。在此,我们提出了一种纳米级多界面相结构工程策略,利用磁控溅射和真空热处理相结合的方法,获得具有纳米级 TiC-Ti 层的金刚石颗粒。延长真空加热时间会增加 TiC 的含量,但会导致在金刚石(100)和(111)面上形成的 TiC 的形态和覆盖率出现显著差异。第一性原理计算显示,金刚石(100)/钛的附着功和 C-Ti 反应倾向强于金刚石(111)/钛,从而阐明了金刚石/钛和金刚石/TiC 之间界面性质的差异。提前获得的金刚石-TiC-Ti 构型有助于制备金刚石-TiC-Al(Al3Ti)结构的复合材料,多界面相结构有利于改善界面结合、调整声学失配和抑制 Al4C3 的形成。(800 °C 0.5 h)@Ti 涂层金刚石(100 μm)/铝多界面相复合材料表现出优异的热导率(646 W m-1 K-1)和出色的抗弯强度(358 MPa),超过微分有效介质模型理论预测值的 90%。(800 °C 0.5 h)@Ti 涂层金刚石/铝复合材料的性能比传统的 Ti 涂层金刚石/铝复合材料高出约 30%。增加热处理时间形成的 TiC 层更厚且不连续,导致复合材料的热导率降低,Al4C3 的抑制作用减弱。我们通过多尺度表征阐明了与金刚石取向相关的界面结构形成机制。在热导率预测模型的基础上,考虑了不同金刚石取向对应的界面结构,预测值与实验结果具有良好的一致性。通过界面改性工程,我们克服了引入改性层抑制 Al-C 反应的同时导致界面热阻增加的两难问题,为界面热传输机制的研究提供了启示。
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引用次数: 0
Improving machine-learning models in materials science through large datasets 通过大型数据集改进材料科学中的机器学习模型
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-25 DOI: 10.1016/j.mtphys.2024.101560
Jonathan Schmidt , Tiago F.T. Cerqueira , Aldo H. Romero , Antoine Loew , Fabian Jäger , Hai-Chen Wang , Silvana Botti , Miguel A.L. Marques
The accuracy of a machine learning model is limited by the quality and quantity of the data available for its training and validation. This problem is particularly challenging in materials science, where large, high-quality, and consistent datasets are scarce. Here we present alexandria, an open database of more than 5 million density-functional theory calculations for periodic three-, two-, and one-dimensional compounds. We use this data to train machine learning models to reproduce seven different properties using both composition-based models and crystal-graph neural networks. In the majority of cases, the error of the models decreases monotonically with the training data, although some graph networks seem to saturate for large training set sizes. Differences in the training can be correlated with the statistical distribution of the different properties. We also observe that graph-networks, that have access to detailed geometrical information, yield in general more accurate models than simple composition-based methods. Finally, we assess several universal machine learning interatomic potentials. Crystal geometries optimised with these force fields are very high quality, but unfortunately the accuracy of the energies is still lacking. Furthermore, we observe some instabilities for regions of chemical space that are undersampled in the training sets used for these models. This study highlights the potential of large-scale, high-quality datasets to improve machine learning models in materials science.
机器学习模型的准确性受限于可用于训练和验证的数据的质量和数量。这个问题在材料科学领域尤其具有挑战性,因为材料科学领域缺乏大规模、高质量和一致性的数据集。在这里,我们介绍亚历山大(alexandria),这是一个开放式数据库,包含 500 多万个周期性三维、二维和一维化合物的密度泛函理论计算结果。我们利用这些数据训练机器学习模型,使用基于成分的模型和晶体图神经网络重现七种不同的性质。在大多数情况下,模型的误差会随着训练数据的增加而单调减少,但有些图网络在训练集规模较大时似乎会达到饱和。训练中的差异可能与不同属性的统计分布有关。我们还观察到,与简单的基于组成的方法相比,能够获取详细几何信息的图网络一般能生成更精确的模型。最后,我们评估了几种通用的机器学习原子间势。使用这些力场优化的晶体几何图形质量非常高,但遗憾的是能量的准确性仍然不足。此外,我们还观察到这些模型的训练集中取样不足的化学空间区域存在一些不稳定性。这项研究凸显了大规模、高质量数据集在改进材料科学领域机器学习模型方面的潜力。
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引用次数: 0
Inverse and conventional dual magnetocaloric effects in Ni substituted Y-type Sr2Zn2-xNixFe12O22 hexaferrites 镍替代 Y 型 Sr2Zn2-xNixFe12O22 六元晶中的反向和常规双磁效应
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-21 DOI: 10.1016/j.mtphys.2024.101559
Bingfei Cao , Jingxin Xia , Jingwen Wang , Junjie Shu , Chao Xie , Yaodong Wu , Zhenfa Zi
The effects of Ni substitution on magnetic and magnetocaloric effect (MCE) are investigated in polycrystalline Y-type hexaferrites of Sr2Zn2-xNixFe12O22 (x = 0.0, 0.8, and 2.0). With the increasing of temperature, the M-T curves indicate successive magnetic structure transitions exist in Sr2Zn2-xNixFe12O22 (x = 0.0, 0.8, and 2.0), which play significant roles in MCE behaviors. As the Ni2+ doping ratio increases, the shape of ΔSMT curves near room temperature evolves gradually from a table-like to a peak-like form. Particularly, a significant contrast between CMCE and IMCE is observed below 100 K, whose behavior can be inherently exploited for heat sink in magnetic refrigeration applications. Among the samples in this series, Sr2Zn1.2Ni0.8Fe12O22 plays the best CMCE and IMCE performances, with the maximum magnetic entropy change (ΔSMmax) values of 0.78 J/kg K at 354 K and −0.56 J/kg K at 16 K for ΔH=50kOe , respectively. Our work demonstrates that Sr2Zn2-xNixFe12O22 hexaferrites have great potential to be tailored for magnetic refrigeration with special needs such as different operating temperature zones, Ericsson cycle or heat sink at refrigeration.
研究了在 Sr2Zn2-xNixFe12O22(x = 0.0、0.8 和 2.0)的多晶 Y 型六元晶中镍替代对磁性和磁致效应(MCE)的影响。随着温度的升高,M-T 曲线表明在 Sr2Zn2-xNixFe12O22(x = 0.0、0.8 和 2.0)中存在连续的磁结构转变,这些转变在 MCE 行为中起着重要作用。随着 Ni2+ 掺杂比的增加,-ΔSM-T 曲线在室温附近的形状逐渐从台状演变成峰状。特别是在 100 K 以下,CMCE 和 IMCE 之间出现了明显的反差,其特性可在磁制冷应用中作为散热器加以利用。在该系列样品中,Sr2Zn1.2Ni0.8Fe12O22 的 CMCE 和 IMCE 性能最佳,在 ΔH=50kOe 时,其在 354 K 和 16 K 的最大磁熵变化(-ΔSMmax)值分别为 0.78 J/kg K 和 -0.56 J/kg K。我们的工作表明,Sr2Zn2-xNixFe12O22 六价铁氧体具有巨大的潜力,可根据不同的工作温度区、制冷时的爱立信循环或散热器等特殊需求定制磁制冷。
{"title":"Inverse and conventional dual magnetocaloric effects in Ni substituted Y-type Sr2Zn2-xNixFe12O22 hexaferrites","authors":"Bingfei Cao ,&nbsp;Jingxin Xia ,&nbsp;Jingwen Wang ,&nbsp;Junjie Shu ,&nbsp;Chao Xie ,&nbsp;Yaodong Wu ,&nbsp;Zhenfa Zi","doi":"10.1016/j.mtphys.2024.101559","DOIUrl":"10.1016/j.mtphys.2024.101559","url":null,"abstract":"<div><div>The effects of Ni substitution on magnetic and magnetocaloric effect (MCE) are investigated in polycrystalline Y-type hexaferrites of Sr<sub>2</sub>Zn<sub>2-<em>x</em></sub>Ni<sub><em>x</em></sub>Fe<sub>12</sub>O<sub>22</sub> (<em>x</em> = 0.0, 0.8, and 2.0). With the increasing of temperature, the <em>M-T</em> curves indicate successive magnetic structure transitions exist in Sr<sub>2</sub>Zn<sub>2-<em>x</em></sub>Ni<sub><em>x</em></sub>Fe<sub>12</sub>O<sub>22</sub> (<em>x</em> = 0.0, 0.8, and 2.0), which play significant roles in MCE behaviors. As the Ni<sup>2+</sup> doping ratio increases, the shape of <span><math><mrow><mo>−</mo><mo>Δ</mo><msub><mi>S</mi><mi>M</mi></msub><mo>−</mo><mi>T</mi></mrow></math></span> curves near room temperature evolves gradually from a table-like to a peak-like form. Particularly, a significant contrast between CMCE and IMCE is observed below 100 K, whose behavior can be inherently exploited for heat sink in magnetic refrigeration applications. Among the samples in this series, Sr<sub>2</sub>Zn<sub>1.2</sub>Ni<sub>0.8</sub>Fe<sub>12</sub>O<sub>22</sub> plays the best CMCE and IMCE performances, with the maximum magnetic entropy change (<span><math><mrow><mo>−</mo><mo>Δ</mo><msubsup><mi>S</mi><mi>M</mi><mi>max</mi></msubsup></mrow></math></span>) values of 0.78 J/kg K at 354 K and −0.56 J/kg K at 16 K for <span><math><mo>Δ</mo><mi>H</mi><mo>=</mo><mn>50</mn><mspace></mspace><mi>k</mi><mi>O</mi><mi>e</mi></math></span> , respectively. Our work demonstrates that Sr<sub>2</sub>Zn<sub>2-<em>x</em></sub>Ni<sub><em>x</em></sub>Fe<sub>12</sub>O<sub>22</sub> hexaferrites have great potential to be tailored for magnetic refrigeration with special needs such as different operating temperature zones, Ericsson cycle or heat sink at refrigeration.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101559"},"PeriodicalIF":10.0,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142314188","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Full-shell d-orbitals of interstitial Ni and anomalous electrical transport in Ni-based half-Heusler thermoelectric semiconductors 镍基半休斯勒热电半导体中间隙镍的全壳 d 轨道和反常电输运
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-21 DOI: 10.1016/j.mtphys.2024.101558
Yurong Ruan , Tao Feng , Ke Zhong , Bing Wen , Wenqing Zhang
We systematically investigate the anomalous electronic properties and electrical transport induced by full-shell d10-orbitals of the extra interstitial Nii in Ni-based half-Heusler XNi1+xZ semiconductors. The orbitals from the interstitial Nii have the unique d10 configuration, split into high-energy eg4 orbitals and low-energy t2g6 orbitals under the octahedral crystal field. In XIVNi1+xZIV (XIV=Ti, Zr, Hf; ZIV=Sn, Pb), the localized Nii-eg4 states fall within the intrinsic bandgap leading to a reduced bandgap. In XIIINi1+xZV (XIII=Sc, Y; ZV=Sb, Bi), the Nii-eg4 states overlap with the intrinsic valence bands. Additionally, the interstitial Nii perturb the nearest neighbor X atomic coordination, leading to the splitting of degenerate conduction band minimum, which is stronger in XIIINi1+xZV than XIVNi1+xZIV. Trace amounts of interstitial Nii significantly impact the electrical transport properties. The introduction of the extra interstitial Nii reduces the density of states effective mass, the electron group velocity, and the relaxation time, leading to a decrease of the Seebeck coefficient and electrical conductivity at low and medium temperatures. Nevertheless, the introduction of localized Nii-eg4 states within the bandgap as new valence band maximum attenuate the high-temperature bipolar effect at low carrier concentration intervals, thus maintaining a high thermopower at elevated temperatures. Furthermore, the tuning of the Nii-d10 orbitals by solid solution of both XIVNi1+xZIV and XIIINi1+xZV is expected to further optimize the electrical transport.
我们系统地研究了镍基半休斯勒 XNi1+xZ 半导体中额外间隙 Nii 的全壳 d10 轨道诱导的异常电子特性和电输运。间隙 Nii 的轨道具有独特的 d10 构型,在八面体晶场下分为高能 eg4 轨道和低能 t2g6 轨道。在 XIVNi1+xZIV (XIV=钛、锆、铪;ZIV=硒、铅)中,局部 Nii-eg4 态落在本征带隙内,导致带隙减小。在 XIIINi1+xZV (XIII=Sc、Y;ZV=Sb、Bi)中,Nii-eg4 态与本征价带重叠。此外,间隙 Nii 会扰动近邻 X 原子的配位,导致退行导带最小值的分裂,XIIINi1+xZV 中的分裂比 XIVNi1+xZIV 中的更强。微量的间隙 Nii 会显著影响电传输特性。引入额外的间隙 Nii 会降低态密度的有效质量、电子群速度和弛豫时间,从而导致低温和中温下的塞贝克系数和电导率下降。不过,在带隙内引入局部 Nii-eg4 态作为新的价带最大值,可以减弱低载流子浓度区间的高温双极效应,从而在高温下保持较高的热功率。此外,通过固溶 XIVNi1+xZIV 和 XIIINi1+xZV 来调整 Nii-d10 轨道,有望进一步优化电传输。
{"title":"Full-shell d-orbitals of interstitial Ni and anomalous electrical transport in Ni-based half-Heusler thermoelectric semiconductors","authors":"Yurong Ruan ,&nbsp;Tao Feng ,&nbsp;Ke Zhong ,&nbsp;Bing Wen ,&nbsp;Wenqing Zhang","doi":"10.1016/j.mtphys.2024.101558","DOIUrl":"10.1016/j.mtphys.2024.101558","url":null,"abstract":"<div><div>We systematically investigate the anomalous electronic properties and electrical transport induced by full-shell <em>d</em><sup>10</sup>-orbitals of the extra interstitial Ni<sub><em>i</em></sub> in Ni-based half-Heusler XNi<sub>1+<em>x</em></sub>Z semiconductors. The orbitals from the interstitial Ni<sub><em>i</em></sub> have the unique <em>d</em><sup>10</sup> configuration, split into high-energy <em>e</em><sub><em>g</em></sub><sup>4</sup> orbitals and low-energy <em>t</em><sub><em>2g</em></sub><sup>6</sup> orbitals under the octahedral crystal field. In X<sup>IV</sup>Ni<sub>1+<em>x</em></sub>Z<sup>IV</sup> (X<sup>IV</sup>=Ti, Zr, Hf; Z<sup>IV</sup>=Sn, Pb), the localized Ni<sub><em>i</em></sub>-<em>e</em><sub><em>g</em></sub><sup>4</sup> states fall within the intrinsic bandgap leading to a reduced bandgap. In X<sup>III</sup>Ni<sub>1+<em>x</em></sub>Z<sup>V</sup> (X<sup>III</sup>=Sc, Y; Z<sup>V</sup>=Sb, Bi), the Ni<sub><em>i</em></sub>-<em>e</em><sub><em>g</em></sub><sup>4</sup> states overlap with the intrinsic valence bands. Additionally, the interstitial Ni<sub><em>i</em></sub> perturb the nearest neighbor X atomic coordination, leading to the splitting of degenerate conduction band minimum, which is stronger in X<sup>III</sup>Ni<sub>1+<em>x</em></sub>Z<sup>V</sup> than X<sup>IV</sup>Ni<sub>1+<em>x</em></sub>Z<sup>IV</sup>. Trace amounts of interstitial Ni<sub><em>i</em></sub> significantly impact the electrical transport properties. The introduction of the extra interstitial Ni<sub><em>i</em></sub> reduces the density of states effective mass, the electron group velocity, and the relaxation time, leading to a decrease of the Seebeck coefficient and electrical conductivity at low and medium temperatures. Nevertheless, the introduction of localized Ni<sub><em>i</em></sub>-<em>e</em><sub><em>g</em></sub><sup>4</sup> states within the bandgap as new valence band maximum attenuate the high-temperature bipolar effect at low carrier concentration intervals, thus maintaining a high thermopower at elevated temperatures. Furthermore, the tuning of the Ni<sub><em>i</em></sub>-<em>d</em><sup>10</sup> orbitals by solid solution of both X<sup>IV</sup>Ni<sub>1+<em>x</em></sub>Z<sup>IV</sup> and X<sup>III</sup>Ni<sub>1+<em>x</em></sub>Z<sup>V</sup> is expected to further optimize the electrical transport.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"48 ","pages":"Article 101558"},"PeriodicalIF":10.0,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142314189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High-performance, superhydrophobic, durable photonic structure coating for efficient passive daytime radiative cooling 高性能、超疏水、耐用的光子结构涂层,可实现高效的日间被动辐射冷却
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-20 DOI: 10.1016/j.mtphys.2024.101556
Xu-Yan Xu , Hui Zhang , Xiao-Jie Kang , Yong-Zhi Zhang , Cheng-Yu He , Xiang-Hu Gao
Passive daytime radiative cooling (PDRC) is an innovative and energy-free cooling technology that automatically cools the surface of an object by reflecting sunlight and emitting heat into outer space without the need for external energy inputs. However, PDRC materials often face issues such as surface contamination and poor long-term outdoor durability. Herein, a photonic structure coating with high PDRC performance, superhydrophobic property, and high outdoor durability was designed and prepared using a phase separation strategy. The photonic structure coating achieves a solar reflectance ∼97.6 % and an average atmospheric window (AW) emissivity of ∼93 %. Under direct sunlight (800 W/m2), the coating exhibits good PDRC performance, with an average temperature drop of ∼13 °C and a maximum temperature drop of up to ∼20 °C. The rough and porous surface of the coating can adsorb air, reducing the solid-liquid adhesion and endowing the coating with super-hydrophobic properties. The incorporation of a small amount of fluoroalkyl silanes into the coating provides water resistance, resulting in a water contact angle (WCA) of ∼155.1° and sliding angle (SA) of ∼2.3°, meeting the need for self-cleaning. Furthermore, the coating exhibits superior durability, including resistance to acid and alkali, UV aging, abrasion, and scratching. All these merits render this photonic structure coating great potential for real-world applications.
被动式日间辐射冷却(PDRC)是一种创新的无能源冷却技术,它通过反射太阳光并将热量散发到外层空间来自动冷却物体表面,而无需外部能源输入。然而,PDRC 材料经常面临表面污染和长期户外耐久性差等问题。在此,我们采用相分离策略设计并制备了一种具有高 PDRC 性能、超疏水性和高户外耐久性的光子结构涂层。该光子结构涂层的太阳反射率达到 97.6%,平均大气窗(AW)发射率达到 93%。在直射阳光(800 W/m2)下,涂层具有良好的 PDRC 性能,平均温降为∼13 °C,最大温降可达∼20 °C。涂层表面粗糙多孔,可吸附空气,降低固液粘附性,使涂层具有超疏水特性。在涂层中加入少量氟烷基硅烷可提供防水性,使水接触角(WCA)达到 155.1°,滑动角(SA)达到 2.3°,满足了自清洁的需要。此外,涂层还具有卓越的耐久性,包括耐酸碱、耐紫外线老化、耐磨损和耐刮擦。所有这些优点都使这种光子结构涂层在实际应用中大有可为。
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引用次数: 0
Heterogeneous wafer bonding of ultra-wide bandgap Ga2O3: A review 超宽带隙 Ga2O3 的异质晶片键合:综述
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-20 DOI: 10.1016/j.mtphys.2024.101557
Xiao Qin , Jieqiong Zhang , Jun Liu , Bo Zhao , Chengguo Li , Qian Wan , Cong Jiang , Jiayun Wei , Wei Han , Baoyuan Wang , Lin Lv , Xu Chen , Houzhao Wan , Hao Wang
Gallium oxide (Ga2O3), with its ultra-wide bandgap (∼4.8 eV) and high theoretical breakdown field (8 MV/cm), holds significant research value and promising application in power electronics and microwave radio-frequency (RF) devices. However, the extremely low thermal conductivity of Ga2O3 severely impedes the fabrication of complicated structures and the optimization of device performance. The wafer bonding technology, as a method to fabricate heterogeneous structures materials, newly applied on Ga2O3 to fabricate Ga2O3 hybrid materials. This paper reviews the wafer bonding technology for ultra-wide bandgap Ga2O3 material based on plasma activation and room-temperature surface activation, as well as the heterogeneous integration with silicon (Si), silicon carbide (SiC), and diamond. The effects of various wafer bonding methods on the bonding quality, thermal, and electrical properties are systematically summarized. Finally, the advancements of Ga2O3-based heterogeneous structures in the applications of power, RF, and optoelectronic devices are summarized. This review aims to address the key challenges in Ga2O3 material through an understanding of principles and development of bonding technology, thereby facilitating the practical application of Ga2O3-based devices.
氧化镓(Ga2O3)具有超宽带隙(∼4.8 eV)和高理论击穿场(8 MV/cm),在电力电子和微波射频(RF)器件领域具有重要的研究价值和应用前景。然而,Ga2O3 极低的热导率严重阻碍了复杂结构的制造和器件性能的优化。晶圆键合技术作为一种制造异质结构材料的方法,新近被应用到 Ga2O3 上,以制造 Ga2O3 混合材料。本文综述了基于等离子体活化和室温表面活化的超宽带隙 Ga2O3 材料晶圆键合技术,以及与硅(Si)、碳化硅(SiC)和金刚石的异质集成。系统地总结了各种晶片键合方法对键合质量、热性能和电性能的影响。最后,总结了基于 Ga2O3 的异质结构在功率、射频和光电器件应用方面的进展。本综述旨在通过对原理的理解和键合技术的发展来解决 Ga2O3 材料所面临的关键挑战,从而促进基于 Ga2O3 的器件的实际应用。
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引用次数: 0
Transport and electronic structure properties of MBE grown Sn doped Ga2O3 homo-epitaxial films MBE 生长的掺锡 Ga2O3 同外延薄膜的传输和电子结构特性
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-20 DOI: 10.1016/j.mtphys.2024.101555
Siliang Kuang , Zhenni Yang , Ziqi Zhang , Ziqian Sheng , Shenglong Wei , Yihong Chen , Wenjing Xu , Ye Yang , Duanyang Chen , Hongji Qi , Kelvin H.L. Zhang
In this work, we report the transport, defect state and electronic structure properties of unintentionally doped (UID) and Sn doped β-Ga2O3 homo-epitaxial thin films grown by molecular beam epitaxy (MBE) with electron density ranging from 2.1 × 1016 to 2.8 × 1019 cm−3. The UID film with an electron density of 2.1 × 1016 cm−3 exhibits a notable RT mobility of 129 cm2/Vs and a peak mobility of 900 cm2/Vs at 80 K, achieving the state-of-the-art level for MBE-grown Ga2O3 films. Temperature dependent Hall measurement reveal that Sn dopants have an activation energy of 56.7 meV. Synchrotron-based photoemission spectroscopy were further used to study insights into the evolution of electronic properties induced by Sn doping. An in-gap defect state was observed at the 1.5 eV above the valence band maximum for the Sn-doped Ga2O3 film. The in-gap state acts as self-compensating centers affecting the overall doping efficiency and mobility. Furthermore, photoemission spectroscopic study also reveals an upward surface band bending existing at the surface region of Sn doped Ga2O3 films. The identification of the in-gap state and surface upward band bending have significant implications for understanding the doping mechanisms in Ga2O3 and its electronic device applications.
在这项工作中,我们报告了通过分子束外延(MBE)技术生长的无意掺杂(UID)和掺锡的β-Ga2O3同外延薄膜的输运、缺陷态和电子结构特性,其电子密度范围为 2.1 × 1016 至 2.8 × 1019 cm-3。电子密度为 2.1 × 1016 cm-3 的 UID 薄膜的实时迁移率高达 129 cm2/Vs,在 80 K 时的峰值迁移率为 900 cm2/Vs,达到了 MBE 生长的 Ga2O3 薄膜的最新水平。与温度相关的霍尔测量显示,锡掺杂剂的活化能为 56.7 meV。同步辐射光发射光谱被进一步用于研究掺入锡后电子特性的演变。在掺杂了锡的 Ga2O3 薄膜价带最大值上方 1.5 eV 处观察到一个内隙缺陷态。隙内缺陷态作为自补偿中心影响着整体掺杂效率和迁移率。此外,光发射光谱研究还揭示了掺杂锡的 Ga2O3 薄膜表面区域存在向上的表面带弯曲。内隙态和表面向上带弯曲的确定对于理解 Ga2O3 的掺杂机制及其电子器件应用具有重要意义。
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Materials Today Physics
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