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Near stoichiometric lithium niobate crystal with dramatically enhanced piezoelectric performance for high-temperature acceleration sensing† 用于高温加速度传感的近化学计量铌酸锂晶体具有显著增强的压电性能†。
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC02466D
Guoliang Wang, Fulei Wang, Xi Gao, Dongzhou Wang, Wei Song, Yanlu Li, Xueliang Liu, Yuanhua Sang, Fapeng Yu and Xian Zhao

Lithium niobate (LN) is a multifunctional crystal with excellent piezoelectric properties, making it a potential candidate for piezoelectric sensing applications. In this study, the mechanism of the discrepancies of piezoelectric properties between near stoichiometric lithium niobate (NSLN) and congruent lithium niobate (CLN) were probed using Raman spectrum, first principles calculations and single crystal X-ray diffraction (XRD), where the VLi defect demonstrated a significant impact on the distortion of the NbO6 octahedron, which in turn affected the piezoelectric properties of the LN crystal. The NSLN crystal exhibited a strong performance, with high piezoelectric coefficients d15 and d22 on the orders of 77.6 pC N−1 and 22.8 pC N−1, respectively, showing increases of 17.4% and 18.1% over the CLN crystal, and highlighting its enhanced piezoelectric characteristics. Finally, temperature-dependent behaviours of the electro-elastic constants for the NSLN and CLN crystals were discussed. The high-temperature piezoelectric performance of NSLN crystal was evaluated utilizing a prototype of shear-mode acceleration sensor, demonstrating remarkable sensing performance up to 650 °C with good temperature stability (sensitivity variation <5%).

铌酸锂(LN)是一种多功能晶体,具有优异的压电特性,是压电传感应用的潜在候选材料。本研究利用拉曼光谱、第一性原理计算和单晶 X 射线衍射 (XRD) 等方法探究了近化学计量铌酸锂 (NSLN) 和全等铌酸锂 (CLN) 压电特性差异的机理,其中 V-Li 缺陷对 NbO6 八面体的畸变产生了显著影响,进而影响了铌酸锂晶体的压电特性。NSLN 晶体表现出很强的性能,其压电系数 d15 和 d22 分别高达 77.6 pC N-1 和 22.8 pC N-1,比 CLN 晶体分别提高了 17.4% 和 18.1%,凸显了其增强的压电特性。最后,讨论了 NSLN 和 CLN 晶体的电弹性常数随温度变化的行为。利用剪切模式加速度传感器原型对 NSLN 晶体的高温压电性能进行了评估,结果表明其传感性能高达 650 °C,且具有良好的温度稳定性(灵敏度变化率为 5%)。
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引用次数: 0
Hybrid self-powered UV photodetector with a sandwich structure of asymmetric interdigitated electrodes 采用非对称交错电极夹层结构的混合自供电紫外线光电探测器
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC03140G
Zhengbang Chen, Shuixiu Lin, Longfei Zhang and Lingyu Wan

We present a novel ZnO/Au/Ti/p-GaN self-powered ultraviolet photodetector (UVPD) featuring a sandwich structure of asymmetric interdigitated electrodes. This unique design skillfully integrates the conventional vertically-structured ZnO/p-GaN UVPD, asymmetric Au/ZnO/Au UVPD, and asymmetric Ti/p-GaN/Ti UVPD into a single device, which effectively enhances the separation and collection efficiency of photogenerated carriers while reducing their composite depletion through the coupling of the built-in electric fields of the Schottky junctions (ZnO/Au, p-GaN/Ti) and the heterojunction (ZnO/p-GaN), creating a synergistic enhancement in performance. At 0 bias, while achieving a fast response speed (0.98/0.63 ms), the ZnO/Au/Ti/p-GaN UVPD also shows improvements in light-to-dark ratios by 7.78, 15.79, and 20.0 times, and in responsivity peaks by 2.7, 4.12, and 152.84 times, compared to the ZnO/p-GaN UVPD, the MSM ZnO UVPD, and the MSM GaN UVPD, respectively. Our proposed sandwich structure of asymmetric interdigitated electrodes offers significant performance enhancement and a simple preparation process, and it can also be applied to other semiconductor heterojunctions, demonstrating wide practical application potential. This work provides a valuable strategy for the development of high-performance and low-cost self-powered UV photodetectors.

我们提出了一种新型 ZnO/Au/Ti/p-GaN 自供电紫外光光电探测器(UVPD),其特点是采用了非对称相互咬合电极的三明治结构。这种独特的设计巧妙地将传统的垂直结构 ZnO/p-GaN UVPD、非对称 Au/ZnO/Au UVPD 和非对称 Ti/p-GaN/Ti UVPD 集成到一个器件中、它通过肖特基结(ZnO/Au、p-GaN/Ti)和异质结(ZnO/p-GaN)的内置电场耦合,有效提高了光生载流子的分离和收集效率,同时降低了其复合耗竭,从而产生了协同增效的性能提升。与 ZnO/p-GaN UVPD、MSM ZnO UVPD 和 MSM GaN UVPD 相比,在 0 偏压条件下,ZnO/Au/Ti/p-GaN UVPD 在实现快速响应速度(0.98/0.63 毫秒)的同时,光暗比也分别提高了 7.78、15.79 和 20.0 倍,响应峰值分别提高了 2.7、4.12 和 152.84 倍。我们提出的不对称互插电极的三明治结构可显著提高性能,而且制备过程简单,还可应用于其他半导体异质结,具有广泛的实际应用潜力。这项工作为开发高性能、低成本的自供电紫外光检测器提供了宝贵的策略。
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引用次数: 0
Structure, spectroscopic properties and optical temperature-sensing behavior of glass-ceramics containing polymorphic CaTa2O6:Er3+/Yb3+ nanocrystals† 含有多晶态 CaTa2O6:Er3+/Yb3+ 纳米晶体的玻璃陶瓷的结构、光谱特性和光学温度传感行为†。
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC02541E
Chen Tian, Jian Ruan, Xiujian Zhao, Jianjun Han and Chao Liu

Novel glass-ceramics (GCs) containing polymorphic CaTa2O6:Er3+/Yb3+ nanocrystals were prepared in this study using an aerodynamic levitation method followed by heat treatment of the precursor glasses (PGs). The phase transition from cubic to orthorhombic crystal forms depending on the heat-treatment temperature was observed. The appearance of the corresponding GCs changed gradually from transparent to translucent and opaque with increasing temperatures. The evolution of phase composition and microstructure was investigated through X-ray diffraction (XRD), Rietveld refinement and transmission electron microscopy (TEM). Both XRD refinement results and spectroscopic properties, including the decrease in unit cell parameters, significant enhancement in upconversion (UC) luminescence, obvious Stark splitting of the UC and near-infrared (NIR) emission bands and the extension of lifetimes, confirmed the incorporation of the rare-earth (RE) ions into the crystalline phases. Furthermore, the temperature-dependent UC and NIR luminescence variations of the GCs containing polymorphic CaTa2O6:Er3+/Yb3+ nanocrystals were investigated. Based on the fluorescence intensity ratio (FIR) technique, the thermally coupled levels (TCLs) (2H11/2/4S3/2), non-thermally coupled levels (NTCLs) (4S3/2/4F9/2) and Stark sublevels (4I13/2) of Er3+ ions were used for three-mode thermometry. The maximum absolute sensitivities of FIR(H/S) and FIR(S/F) were 3.8 × 10−3 and 3.7 × 10−2 K−1, respectively, which are much higher than those reported in previous reports. Furthermore, FIR(1500/1532) based on the Stark sublevels of orthorhombic phase GC offers a complementary way of temperature sensing. These results suggest the potential application of the GCs in self-referenced optical thermometry.

本研究采用空气动力悬浮法制备了含有多晶态 CaTa2O6:Er3+/Yb3+ 纳米晶体的新型玻璃陶瓷(GCs),然后对前驱体玻璃(PGs)进行了热处理。根据热处理温度的不同,可观察到从立方晶体到正方晶体的相变。随着温度的升高,相应 GC 的外观从透明逐渐变为半透明和不透明。通过 X 射线衍射(XRD)、里特维尔德细化和透射电子显微镜(TEM)研究了相组成和微观结构的演变。X 射线衍射(XRD)细化结果和光谱特性,包括单胞参数的降低、上转换(UC)发光的显著增强、UC 和近红外(NIR)发射带的明显斯塔克分裂以及寿命的延长,都证实了晶体相中稀土(RE)离子的掺入。此外,还研究了含有多态 CaTa2O6:Er3+/Yb3+ 纳米晶体的 GC 随温度变化的 UC 和近红外发光变化。基于荧光强度比(FIR)技术,Er3+ 离子的热耦合水平(TCL)(2H11/2/4S3/2)、非热耦合水平(NTCL)(4S3/2/4F9/2)和斯塔克子水平(4I13/2)被用于三模式测温。FIR(H/S) 和 FIR(S/F) 的最大绝对灵敏度分别为 3.8 × 10-3 和 3.7 × 10-2 K-1,远高于之前的报告。此外,基于正交相 GC 的斯塔克亚级的 FIR(1500/1532) 还提供了一种温度传感的补充方法。这些结果表明,正交相 GC 有可能应用于自参考光学测温。
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引用次数: 0
Achieving high brightness and thermally stable far-red luminescence via ultrathin phosphor–glass composite engineering 通过超薄荧光粉-玻璃复合工程实现高亮度和热稳定远红发光
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC03111C
Chenyang Li, Yimin Zhou, Fei Tang, Yizhuo Chen, Kangzhen Tian, Bo Zhao and Shijie Xu

Far-red (FR) emission (>700 nm) with high efficiency and excellent thermal stability is in great demand for solid-state lighting applications in health illumination. However, currently used FR materials often face challenges such as complex synthesis, low efficiency, and thermal instability. In this study, we present a highly efficient and thermally stable far-red phosphor, Mn4+-activated La1−xCaxAlO3−yFy, with a dominant emission wavelength of 731 nm. Based on this, an ultrathin phosphor–glass composite (PGC), with a FR luminescence quantum yield of 68.2%, is prepared using a tape-casting process combined with a low-temperature cofiring technique. The impact of ionic substitution on the crystal structure and luminescence properties is examined to establish the optimal doping conditions. Interestingly, we observed that the prepared PGC exhibits temperature-dependent luminescence distinct from that of FR phosphor. The luminescence lifetime for the PGC is measured to be nearly 3.576 ms, representing a 28.4% decrease compared to that of the pure phosphor. Ultimately, light-emitting diodes (LEDs) are fabricated by combining the PGC with a violet chip, and their electroluminescence (EL) properties are strongly dependent on the configuration of the PGC composite. This research offers a straightforward and versatile method for producing ultrathin far-red PGCs that hold promise for diverse photonic applications.

在健康照明领域的固态照明应用中,对具有高效率和优异热稳定性的远红外(FR)发射(700 纳米)有着极大的需求。然而,目前使用的远红外材料往往面临合成复杂、效率低、热不稳定等挑战。在本研究中,我们提出了一种高效且热稳定的远红荧光粉--Mn4+激活的 La1-xCaxAlO3-yFy ,其主要发射波长为 731 nm。在此基础上,利用胶带铸造工艺结合低温共烧技术制备了一种超薄荧光粉-玻璃复合材料(PGC),其荧光量子产率为 68.2%。研究了离子取代对晶体结构和发光特性的影响,以确定最佳掺杂条件。有趣的是,我们观察到制备的 PGC 显示出与 FR 荧光粉不同的随温度变化的发光特性。经测量,PGC 的发光寿命接近 3.576 毫秒,与纯荧光粉相比减少了 28.4%。最终,通过将 PGC 与紫光芯片相结合,制造出了发光二极管 (LED),其电致发光 (EL) 特性在很大程度上取决于 PGC 复合材料的配置。这项研究为生产超薄远红外 PGC 提供了一种直接而多用途的方法,有望用于各种光子应用。
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引用次数: 0
Multiscale synergetic bandgap/structure engineering for the construction of full-spectrum-responsive heterostructured MoS2/SnS2 photocatalyst† 用于构建全光谱响应型异质结构 MoS2/SnS2 光催化剂的多尺度协同带隙/结构工程†。
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC03035D
Wenjie Zhao, Jinyan Liu, Weiye Hou, Zhe Zhang, Xinrui Chen, Xianghua Zeng and Weiwei Xia

A 2D-MoS2/2D-SnS2 photocatalyst with a van der Waals (vdW) heterojunction has been prepared in this work by the self-assembly of MoS2 nanosheets on the SnS2 microflake surface. The multi-scale micro-nano hierarchical structure of MoS2 with a narrow bandgap (1.27 eV) exhibits an obvious photothermal effect and significantly enhanced light absorption ability in the wide wavelength range of 200–2000 nm. Both experimental investigation and corresponding simulations based on the density functional theory demonstrate that the vdW interaction and internal electric field between MoS2 and SnS2 favor direct Z-scheme charge separation and transportation effectively. As a result, the optimized MoS2/SnS2 Z-scheme heterojunction photocatalyst with full-spectrum response displays excellent photocatalytic CO2 reduction performance. In particular, the MoS2/SnS2 photocatalyst was able to maintain excellent photocatalytic CO2 reduction performance under NIR light irradiation at 880 nm and achieved a maximum CO yield of 0.033 mmol cm−2 h−1 when the laser output power reached 20 W. This work may provide valuable guidance for the construction of vdW Z-scheme heterojunction photocatalysts for high-efficiency photocatalytic CO2 reduction and effective solar light utilization.

本研究通过在 SnS2 微薄片表面自组装 MoS2 纳米片,制备了一种具有范德华(vdW)异质结的 2D-MoS2/2D-SnS2 光催化剂。这种具有窄带隙(1.27 eV)的多尺度微纳分层结构的 MoS2 具有明显的光热效应,并在 200-2000 nm 的宽波长范围内显著增强了光吸收能力。实验研究和基于密度泛函理论的相应模拟都表明,MoS2 和 SnS2 之间的 vdW 相互作用和内部电场有利于 Z 型电荷的直接分离和有效传输。因此,经过优化的具有全光谱响应的 MoS2/SnS2 Z 型异质结光催化剂显示出优异的光催化还原 CO2 性能。特别是在 880 纳米近红外光照射下,MoS2/SnS2 光催化剂仍能保持优异的光催化还原 CO2 性能,当激光输出功率达到 20 W 时,CO 产率最高可达 0.033 mmol cm-2 h-1。这项工作可为构建 vdW Z 型异质结光催化剂以实现高效光催化还原 CO2 和有效利用太阳光提供有价值的指导。
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引用次数: 0
Correlation between Ce content and Tb–Cu grain boundary diffusion efficiency in Ce-containing Nd–Fe–B magnets 含 Ce 的 Nd-Fe-B 磁体中 Ce 含量与 Tb-Cu 晶界扩散效率之间的相关性
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC02429J
Zhigao Yu, Shiying Chen, Chaochao Zeng, Hongya Yu, Yaxiang Wu, Jiayi He and Zhongwu Liu

Ce-containing Nd–Fe–B magnets have been widely used because of their low cost, but the effects of Ce content in the magnets on the grain boundary diffusion (GBD) behavior are still unclear. In this work, Pr–Nd–Ce–Fe–B sintered magnets with various Ce contents were treated by using a Tb–Cu GBD process. The effects of Ce content on the diffusion behavior of Tb and the microstructure evolution of the magnets were systematically investigated. The results indicate that the coercivity of magnets with Ce/TRE (TRE: total rare earth) ratios of 0, 4, 10, 25, and 35 wt% was increased by 68%, 81%, 79%, 42% and 21%, respectively, after Tb–Cu diffusion. The coercivity enhancement increases firstly with the increasing Ce/TRE ratio from 0 to 10 wt% then decreases with the further increase of Ce content in the magnet. For the magnets with low Ce content, an increase of Ce content lowers the melting point of the RE-rich GB phase, which is beneficial to the diffusion of Tb. In the magnets with high Ce contents, a large amount of REFe2 phase formed in GBs, which acts as an obstacle to Tb diffusion. The formation of the REFe2 phase not only blocks the liquid diffusion channel but also consumes Tb. Meanwhile, Tb, Nd, and Pr elements can enter into the REFe2 phase during the GBD treatment, leading to the transition of the REFe2 phase from paramagnetic to ferromagnetic, which is not beneficial to magnetic isolation and coercivity enhancement. This study thus provides a deep understanding of the role of Ce in the diffusion of HRE, which could provide a reference for the industrial development of the GBD process.

含 Ce 的钕铁硼磁体因其低成本而被广泛使用,但磁体中 Ce 含量对晶界扩散(GBD)行为的影响仍不清楚。在这项研究中,采用锑铜 GBD 工艺处理了不同铈含量的 Pr-Nd-Ce-Fe-B 烧结磁体。系统研究了铈含量对铽的扩散行为和磁体微观结构演变的影响。结果表明,Ce/TRE(TRE:稀土总量)比率分别为 0、4、10、25 和 35 wt% 的磁体在经过铽铜扩散后,矫顽力分别提高了 68%、81%、79%、42% 和 21%。从 0 到 10 wt%,矫顽力增强首先随着 Ce/TRE 比率的增加而增加,然后随着磁体中 Ce 含量的进一步增加而降低。对于低 Ce 含量的磁体,Ce 含量的增加会降低富含 RE 的 GB 相的熔点,从而有利于铽的扩散。在铈含量高的磁体中,GB 中形成了大量的 REFe2 相,阻碍了铽的扩散。REFe2 相的形成不仅阻塞了液体扩散通道,还消耗了铽。同时,在 GBD 处理过程中,Tb、Nd 和 Pr 元素会进入 REFe2 相,导致 REFe2 相从顺磁性转变为铁磁性,不利于磁隔离和矫顽力增强。因此,本研究深入了解了 Ce 在 HRE 扩散中的作用,可为 GBD 工艺的工业发展提供参考。
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引用次数: 0
Confined deep red light-detecting organic phototransistors with polymer gate-sensing layers consisting of indacenothiophene and dinitrobenzothiadiazole units† 具有由茚并噻吩和二硝基苯并噻二唑单元组成的聚合物栅极传感层的密闭深红光探测有机光电晶体管†。
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC02698E
Chanbin Park, Taehoon Kim, Hwajeong Kim and Youngkyoo Kim

Here we report a novel conjugated polymer with deep red-light absorption, consisting of indacenothiophene (IDTT) and dinitrobenzothiadiazole (DNBT) units, which can be used as a gate-sensing layer (GSL) in organic phototransistors (OPTRs). The PIDTT–DNBT polymer was synthesized by the Stille coupling reaction between the IDTT monomer with tin end groups and the DNBT monomer with bromine end groups. The PIDTT–DNBT films showed two pronounced optical absorptions in the wavelength (λ) ranges of 350–470 nm and 470–800 nm and the highest occupied molecular orbital (HOMO) energy of −5.9 eV. The OPTRs with the PIDTT–DNBT GSLs operated in p-channel modes and exhibited noticeable photo-sensing performances under the illumination of three monochromatic lights (λ = 550, 670, and 700 nm). When visible light-cutting layers (VLCLs) were applied, the OPTRs with the PIDTT–DNBT GSLs could only sense deep-red light with a narrow spectral range of λ = 650–800 nm in the absence of other visible light interferences.

我们在此报告了一种具有深红光吸收能力的新型共轭聚合物,它由茚并噻吩(IDTT)和二硝基苯并噻二唑(DNBT)单元组成,可用作有机光电晶体管(OPTR)中的栅极传感层(GSL)。PIDTT-DNBT 聚合物是通过带有锡端基团的 IDTT 单体和带有溴端基团的 DNBT 单体之间的 Stille 偶联反应合成的。PIDTT-DNBT 薄膜在 350-470 纳米和 470-800 纳米波长 (λ) 范围内显示出两种明显的光吸收现象,其最高占据分子轨道 (HOMO) 能量为 -5.9 eV。带有 PIDTT-DNBT GSL 的 OPTR 在 p 沟道模式下工作,在三种单色光(λ = 550、670 和 700 纳米)的照射下表现出明显的光感应性能。当应用可见光切割层(VLCL)时,在没有其他可见光干扰的情况下,带有 PIDTT-DNBT GSL 的 OPTR 只能感应光谱范围较窄的深红光(λ = 650-800 纳米)。
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引用次数: 0
Overview of electrohydrodynamic deposition for fabricating organic thin film transistors 用于制造有机薄膜晶体管的电流体动力沉积概述
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC02302A
Gezhou Zhu, Yan Zhao and Yunqi Liu

Over the past few decades, organic thin-film transistors (OTFTs) have shown remarkable progress in both device performance and functional applications, owing to the development of organic synthesis and fabrication methods. Electrohydrodynamic (EHD) deposition techniques, including electrospraying, electrospinning, and EHD printing, have emerged as powerful and effective material deposition technologies for electronic device fabrication. These techniques, driven by electric fields, represent a methodological innovation in OTFT fabrication and are currently competitive with other well-established approaches. This study presents a comprehensive overview of EHD deposition for OTFT fabrication, focusing on the high performance and practical applications of these devices, including artificial synapses, memories, and sensors. Our aim is not only to shed light on the existing excellent capabilities but also to stimulate the interest of more researchers and promote further constructive work in this burgeoning research domain.

过去几十年来,由于有机合成和制造方法的发展,有机薄膜晶体管(OTFT)在器件性能和功能应用方面都取得了显著进步。电流体动力(EHD)沉积技术,包括电喷雾、电纺丝和 EHD 印刷,已成为电子器件制造领域强大而有效的材料沉积技术。这些由电场驱动的技术代表了 OTFT 制造方法上的创新,目前与其他成熟的方法相比具有很强的竞争力。本研究全面概述了用于制造 OTFT 的 EHD 沉积技术,重点关注这些器件的高性能和实际应用,包括人工突触、存储器和传感器。我们的目的不仅在于阐明现有的卓越能力,还在于激发更多研究人员的兴趣,促进这一新兴研究领域的进一步建设性工作。
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引用次数: 0
Improving the photovoltaic performance of perovskite solar cells through the molecular design of donor–acceptor polymeric hole-transport materials† 通过供体-受体聚合物空穴传输材料的分子设计提高过氧化物太阳能电池的光伏性能†。
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC02686A
D. S. Zamoretskov, A. N. Zhivchikova, I. E. Kuznetsov, M. M. Tepliakova, N. G. Nikitenko, I. A. Konushkin, M. V. Gapanovich, D. A. Chernyayev, E. O. Perepelitsina, D. K. Sagdullina and A. V. Akkuratov

Conjugated donor–acceptor polymers have been regarded as attractive organic semiconductors for perovskite solar cells (PSCs) as hole-transport materials (HTMs). Herein, we report the design of four novel (X-DAD)n conjugated polymers based on alternating benzodithiophene unit (X) and thiophene-spaced benzene derivatives or pyridine (A). The variation of A building blocks has been shown to control the backbone geometry, which is crucial for achieving high charge-transport characteristics of HTMs. Particularly, introducing fluorine and methoxy-substituted blocks enabled rigid and planar backbone structure of PBPh-ff and PBPh-mm HTMs due to non-covalent intramolecular interactions. Benefiting from this merit, PBPh-ff and PBPh-mm exhibited improved hole mobilities and better hole extraction ability from MAPbI3. As a result, employing PBPh-ff as the HTM in n–i–p PSCs provided power conversion efficiency of 19.1% with an outstanding fill factor of ca. 80%. These findings highlight the importance of molecular design and geometry control of hole-transporting polymers for efficient perovskite photovoltaic devices.

供体-受体共轭聚合物一直被认为是包光体太阳能电池(PSCs)中极具吸引力的有机半导体,可用作空穴传输材料(HTMs)。在此,我们报告了基于交替的苯并二噻吩单元(X)和噻吩间距苯衍生物或吡啶(A)设计的四种新型(X-DAD)n 共轭聚合物。A 结构单元的变化可控制骨架的几何形状,这对于实现 HTM 的高电荷传输特性至关重要。特别是引入氟和甲氧基取代嵌段后,由于非共价分子内相互作用,PBPh-ff 和 PBPh-mm HTM 的骨架结构变得更加坚硬和平整。得益于这一优点,PBPh-ff 和 PBPh-mm 显示出更好的空穴迁移率和从 MAPbI3 中萃取空穴的能力。因此,在 ni-i-p PSCs 中使用 PBPh-ff 作为 HTM,可提供 19.1% 的功率转换效率和约 80% 的出色填充因子。这些发现凸显了空穴传输聚合物的分子设计和几何控制对于高效包晶光伏器件的重要性。
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引用次数: 0
The intrinsic quantum anomalous Hall effect in TaPdXTe (X = S, Se) monolayers† TaPdXTe (X = S, Se) 单层中的本征量子反常霍尔效应
IF 5.7 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-09-03 DOI: 10.1039/D4TC02809K
Haofeng Wei, Yanzhao Wu, Junwei Tong, Li Deng, Xiang Yin, Zhijun Zhang and Xianmin Zhang

The search for high-performance intrinsic quantum anomalous Hall (QAH) insulators is crucial for the development of topological electronics. Here, based on density–functional theory calculations, TaPdSTe and TaPdSeTe monolayers are demonstrated to be intrinsic QAH insulators with topological band gaps of 88 and 79 meV, respectively. Both TaPdSTe and TaPdSeTe monolayers show an out-of-plane magnetic anisotropy with the Curie temperatures of 260 and 262 K by Monte Carlo simulations, respectively. The calculated Chern number C for both materials is −1. The analysis of the electronic structures reveals that the ferromagnetic topological property is caused by the energy band inversions of dxz and dyz orbitals of Ta atoms. Additionally, the effects of biaxial strain on the magnetic and topological properties are discussed for the current TaPdSTe and TaPdSeTe monolayers. During −3 to 3% biaxial strains, TaPdSTe and TaPdSeTe monolayers maintain the QAH effect, but their topological band gaps increase gradually from compressive to tensile strains. This study presents two intrinsic topological insulators that can help develop low-power electronic devices.

寻找高性能本征量子反常霍尔(QAH)绝缘体对于拓扑电子学的发展至关重要。本文基于密度泛函理论计算,证明了 TaPdSTe 和 TaPdSeTe 单层是本征 QAH 绝缘体,其拓扑带隙分别为 88 和 79 meV。通过蒙特卡罗模拟,TaPdSTe 和 TaPdSeTe 单层都显示出平面外磁各向异性,居里温度分别为 260 和 262 K。两种材料的计算切尔诺数 C 均为-1。对电子结构的分析表明,铁磁拓扑特性是由 Ta 原子的 dxz 和 dyz 轨道能带反转引起的。此外,还讨论了双轴应变对当前 TaPdSTe 和 TaPdSeTe 单层材料的磁性和拓扑特性的影响。在 -3% 到 3% 的双轴应变期间,TaPdSTe 和 TaPdSeTe 单层保持了 QAH 效应,但它们的拓扑带隙从压缩应变到拉伸应变逐渐增大。这项研究提出了两种有助于开发低功耗电子器件的本征拓扑绝缘体。
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Journal of Materials Chemistry C
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