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Prediction methods for phonon transport properties of inorganic crystals: from traditional approaches to artificial intelligence 无机晶体声子传输特性的预测方法:从传统方法到人工智能。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-29 DOI: 10.1039/D4NH00487F
Yi Wei, Zhixiang Liu and Guangzhao Qin

In inorganic crystals, phonons are the elementary excitations describing the collective atomic motions. The study of phonons plays an important role in terms of understanding thermal transport behavior and acoustic properties, as well as exploring the interactions between phonons and other energy carriers in materials. Thus, efficient and accurate prediction of phonon transport properties such as thermal conductivity is crucial for revealing, designing, and regulating material properties to meet practical requirements. In this paper, typical strategies used to predict phonon transport properties in modern science and technologies are introduced, and relevant achievements are emphasized. Moreover, insights into the remaining challenges as well as future directions of phonon transport-related exploration are proposed. The viewpoints of this paper are expected to provide a valuable reference to the community and inspire relevant research studies on predicting phonon transport properties in the near future.

在无机晶体中,声子是描述原子集体运动的基本激发。声子研究在理解热传输行为和声学特性,以及探索材料中声子与其他能量载体之间的相互作用方面发挥着重要作用。因此,高效准确地预测声子传输特性(如热导率)对于揭示、设计和调节材料特性以满足实际要求至关重要。本文介绍了现代科学技术中用于预测声子输运特性的典型策略,并强调了相关成果。此外,本文还提出了声子输运相关探索仍面临的挑战以及未来的发展方向。希望本文的观点能为社会各界提供有价值的参考,并在不久的将来对预测声子输运性质的相关研究有所启发。
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引用次数: 0
Correlated excitonic signatures of individual van der Waals NiPS3 antiferromagnet nanoflakes† 单个范德华NiPS3反铁磁体纳米片的相关激子特征。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-29 DOI: 10.1039/D4NH00390J
Vigneshwaran Chandrasekaran, Christopher R. DeLaney, Cong Tai Trinh, David Parobek, Christopher A. Lane, Jian-Xin Zhu, Xiangzhi Li, Huan Zhao, Marshall A. Campbell, Laura Martin, Edward F. Wyckoff, Andrew C. Jones, Matthew M. Schneider, John Watt, Michael T. Pettes, Sergei A. Ivanov, Andrei Piryatinski, David H. Dunlap and Han Htoon

Composite quasi-particles with emergent functionalities in spintronic and quantum information science can be realized in correlated materials due to entangled charge, spin, orbital, and lattice degrees of freedom. Here we show that by reducing the lateral dimension of correlated antiferromagnet NiPS3 flakes to tens of nanometers and thickness to less than ten nanometers, we can switch-off the bulk spin–orbit entangled exciton in the near-infrared (1.47 eV) and activate visible-range (1.8–2.2 eV) transitions. These ultra-sharp lines (<120 μeV at 4.2 K) share the spin-correlated nature of the bulk exciton by displaying a strong linear polarization below Néel temperature. Furthermore, exciton photoluminescence lineshape analysis indicates a polaronic character VIA coupling with at-least 3 phonon modes and a comb-like Stark effect through discretization of charges in each layer. These findings augment the knowledge on the many-body nature of excitonic quasi-particles in correlated antiferromagnets and also establish the nanoscale correlated antiferromagnets as a promising platform for integrated magneto-optic devices.

由于电荷、自旋、轨道和晶格自由度的纠缠,在相关材料中可以实现具有自旋电子和量子信息科学新兴功能的复合准粒子。在这里,我们展示了通过将相关反铁磁体 NiPS3 薄片的横向尺寸减小到几十纳米,厚度减小到十纳米以下,我们可以在近红外(1.47 eV)和激活可见光范围(1.8-2.2 eV)跃迁中关闭体自旋轨道纠缠激子。这些超清晰的线条(至少与 3 个声子模式的 VIA 耦合,以及通过各层电荷的离散化产生的梳状斯塔克效应。这些发现丰富了人们对相关反铁磁体中激子准粒子的多体性质的认识,同时也将纳米级相关反铁磁体确立为集成磁光器件的理想平台。
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引用次数: 0
The well-defined three-dimensional matrix of a micro-sized silicon/carbon composite promoting lithium-ion transportation† 微型硅碳复合材料的三维矩阵定义明确,可促进锂离子运输。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-29 DOI: 10.1039/D4NH00349G
Denghui Wang, Minghao Ma, Wenqiang Xu, Yingjie Ma, Lidong Li and Xianglong Li

Micro-sized silicon is a promising anode material due to its high theoretical capacity and low cost. However, its bulk particle size poses a challenge during electrochemical cycling, and the long ion/electron transport paths within it limit the rate capability. Herein, we propose a structural engineering approach for establishing a well-defined three-dimensional (3D) micro-sized silicon/carbon matrix to achieve efficient omnidirectional ionic and electronic conductivity within micro-sized silicon and effectively mitigate the volume changes. The prepared materials, comprising ordered two-dimensional porous silicon nanosheets, offer direct two-dimensional electrolyte transport channels aligned parallel to the layer plane and porous channels oriented perpendicular to the layer plane. These well-defined omnidirectional pathways enable more efficient electrolyte mass transport than the disordered paths within the traditional 3D porous silicon anodes. A robust carbon shell, securely bonded to silicon through dual covalent bonding, effectively shields these pathways, buffering the volume changes and offering an electronically conductive 3D carbon network.

微尺寸硅具有理论容量高、成本低的特点,是一种前景广阔的阳极材料。然而,在电化学循环过程中,它的大颗粒尺寸是一个挑战,而且其中较长的离子/电子传输路径限制了其速率能力。在此,我们提出了一种结构工程方法,用于建立定义明确的三维(3D)微尺寸硅/碳基质,从而在微尺寸硅内实现高效的全向离子和电子导电性,并有效缓解体积变化。制备的材料由有序的二维多孔硅纳米片组成,提供平行于层平面的直接二维电解质传输通道和垂直于层平面的多孔通道。与传统三维多孔硅阳极的无序路径相比,这些定义明确的全向路径能实现更高效的电解质传输。坚固的碳外壳通过双共价键与硅牢固地结合在一起,有效地屏蔽了这些通道,缓冲了体积变化,并提供了一个导电的三维碳网络。
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引用次数: 0
Polymer-confined synthesis of gram-scale high-entropy perovskite fluoride nanocubes for improved electrocatalytic reduction of nitrate to ammonia† 聚合物封闭合成克级高熵过氧化物氟化物纳米立方体,用于改进硝酸盐到氨的电催化还原。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-25 DOI: 10.1039/D4NH00341A
Guohao Xue, Tianlu Wang, Hele Guo, Nan Zhang, Claire J. Carmalt, Johan Hofkens, Feili Lai and Tianxi Liu

High-entropy perovskite fluoride (HEPF) has gradually attracted attention in the field of electrocatalysis due to its unique properties. Although traditional co-precipitation methods can efficiently produce HEPF, the resulting catalysts often lack regular morphology and tend to aggregate extensively. Here, nanocubic K(CuMgCoZnNi)F3 HEPF (HEPF-2) was successfully prepared on a gram-scale by a polyvinylpyrrolidone (PVP)-confined nucleation strategy. Benefiting from its large electrochemically active surface area and well-exposed active sites, the HEPF-2 demonstrates dramatically enhanced electrocatalytic activity in electrocatalytic nitrate reduction to ammonia, leading to an improved ammonia yield rate (7.031 mg h−1 mgcat.−1), a high faradaic efficiency (92.8%), and excellent long-term stability, outperforming the irregular HEPF nanoparticles (HEPF-0) prepared without the assistance of PVP. Our work presents an efficient and facile method to synthesize perovskite fluorides with a well-defined structure, showing great promise in the field of high-performance electrocatalysis.

高熵过氧化物氟化物(HEPF)因其独特的性质在电催化领域逐渐受到关注。虽然传统的共沉淀方法可以高效地制备 HEPF,但所制备的催化剂往往缺乏规则的形貌,而且容易大量聚集。本文采用聚乙烯吡咯烷酮(PVP)封闭成核策略,成功制备出克级纳米立方体 K(铜镁钴锌镍)F3 HEPF(HEPF-2)。得益于其较大的电化学活性表面积和暴露的活性位点,HEPF-2 在电催化硝酸盐还原成氨的过程中表现出显著增强的电催化活性,从而提高了氨的产率(7.031 mg h-1 mgcat.-1)、远红外效率(92.8%)和优异的长期稳定性,其性能优于在没有 PVP 辅助的情况下制备的不规则 HEPF 纳米颗粒(HEPF-0)。我们的工作提出了一种高效、简便的方法来合成具有明确结构的包晶体氟化物,在高性能电催化领域大有可为。
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引用次数: 0
Understanding the relationship between nanosheet thickness and piezoresistivity in graphene strain sensors† 了解石墨烯应变传感器中纳米片厚度与压阻系数之间的关系。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-23 DOI: 10.1039/D4NH90072C
Sara Domenici

This article highlights the recent work of Coleman et al. (Nanoscale Horiz., 2024, 9, 1774–1784, https://doi.org/10.1039/D4NH00224E) on investigating nanosheet thickness and its impact on piezoresistivity in graphene strain sensors.

本文重点介绍了 Coleman 等人最近在研究纳米片厚度及其对石墨烯应变传感器压阻率的影响方面所做的工作(Nanoscale Horiz.,2024,9,1774-1784,https://doi.org/10.1039/D4NH00224E)。
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引用次数: 0
Semiconductor nanowire heterodimensional structures toward advanced optoelectronic devices 面向先进光电设备的半导体纳米线异维结构。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-22 DOI: 10.1039/D4NH00385C
Xin Yan, Yao Li and Xia Zhang

Semiconductor nanowires are considered as one of the most promising candidates for next-generation devices due to their unique quasi-one-dimensional structures and novel physical properties. In recent years, advanced heterostructures have been developed by combining nanowires with low-dimensional structures such as quantum wells, quantum dots, and two-dimensional materials. Those heterodimensional structures overcome the limitations of homogeneous nanowires and show great potential in high-performance nano-optoelectronic devices. In this review, we summarize and discuss recent advances in fabrication, properties and applications of nanowire heterodimensional structures. Major heterodimensional structures including nanowire/quantum well, nanowire/quantum dot, and nanowire/2D-material are studied. Representative optoelectronic devices including lasers, single photon sources, light emitting diodes, photodetectors, and solar cells are introduced in detail. Related prospects and challenges are also discussed.

半导体纳米线因其独特的准一维结构和新颖的物理特性,被认为是下一代设备最有前途的候选材料之一。近年来,通过将纳米线与量子阱、量子点和二维材料等低维结构相结合,开发出了先进的异质结构。这些异维结构克服了同质纳米线的局限性,在高性能纳米光电器件中显示出巨大的潜力。在这篇综述中,我们总结并讨论了纳米线异维结构在制造、性能和应用方面的最新进展。研究的主要异维结构包括纳米线/量子阱、纳米线/量子点和纳米线/二维材料。详细介绍了具有代表性的光电器件,包括激光器、单光子源、发光二极管、光电探测器和太阳能电池。还讨论了相关的前景和挑战。
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引用次数: 0
Lasing in an assembled array of silver nanocubes† 银纳米立方体组装阵列中的激光。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-22 DOI: 10.1039/D4NH00263F
Mindaugas Juodėnas, Nadzeya Khinevich, Gvidas Klyvis, Joel Henzie, Tomas Tamulevičius and Sigitas Tamulevičius

We demonstrate a surface lattice resonance (SLR)-based plasmonic nanolaser that leverages bulk production of colloidal nanoparticles and assembly on templates with single particle resolution. SLRs emerge from the hybridization of the plasmonic and photonic modes when nanoparticles are arranged into periodic arrays and this can provide feedback for stimulated emission. It has been shown that perfect arrays are not a strict prerequisite for producing lasing. Here, we propose using high-quality colloids instead. Silver colloidal nanocubes feature excellent plasmonic properties due to their single-crystal nature and low facet roughness. We use capillarity-assisted nanoparticle assembly to produce substrates featuring SLR and comprising single nanocubes. Combined with the laser dye pyrromethene-597, the nanocube array lases at 574 nm with <1.2 nm linewidth, <100 μJ cm−2 lasing threshold, and produces a beam with <1 mrad divergence, despite less-than-perfect arrangement. Such plasmonic nanolasers can be produced on a large-scale and integrated in point-of-care diagnostics, photonic integrated circuits, and optical communications applications.

我们展示了一种基于表面晶格共振(SLR)的等离子纳米激光器,它利用胶体纳米粒子的批量生产和在模板上的组装实现了单粒子分辨率。当纳米粒子排列成周期性阵列时,质子和光子模式的杂化会产生表面晶格共振,从而为受激发射提供反馈。研究表明,完美的阵列并不是产生激光的严格先决条件。在此,我们建议使用高质量胶体来代替。银胶体纳米立方体因其单晶性质和低面粗糙度而具有出色的等离子特性。我们利用毛细管辅助纳米粒子组装技术,生产出具有 SLR 特性并由单个纳米立方体组成的基底。与激光染料 pyrromethene-597 相结合,纳米立方体阵列在 574 nm 波长下发出激光,激光阈值为 -2,产生的光束具有
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引用次数: 0
Nanoscale Horizons Emerging Investigator Series: Dr Pengzhan Sun, University of Macau, China Nanoscale Horizons Emerging Investigator Series:孙鹏展博士,中国澳门大学。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-15 DOI: 10.1039/D4NH90070G

Our Emerging Investigator Series features exceptional work by early-career nanoscience and nanotechnology researchers. Read Pengzhan Sun’s Emerging Investigator Series article ‘Catalytic selectivity of nanorippled graphene’ (https://doi.org/10.1039/D3NH00462G) and read more about him in the interview below.

我们的 "新锐研究人员系列 "介绍了纳米科学和纳米技术早期研究人员的杰出研究成果。请阅读孙鹏展的新锐研究员系列文章 "Catalytic selectivity of nanorippled graphene"(https://doi.org/10.1039/D3NH00462G),并在下面的采访中了解更多有关他的信息。
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引用次数: 0
Nanoscale Horizons Emerging Investigator Series: Dr Valentina Castagnola, Italian Institute of Technology, Italy 纳米地平线新兴研究者系列:意大利理工学院的 Valentina Castagnola 博士。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-14 DOI: 10.1039/D4NH90071E

Our Emerging Investigator Series features exceptional work by early-career nanoscience and nanotechnology researchers. Read Valentina Castagnola’s Emerging Investigator Series article ‘Sources of biases in the in vitro testing of nanomaterials: the role of the biomolecular corona’ (https://doi.org/10.1039/D3NH00510K) and read more about her in the interview below.

我们的 "新锐研究人员系列 "介绍了纳米科学和纳米技术早期研究人员的杰出研究成果。请阅读瓦伦蒂娜-卡斯塔尼奥拉(Valentina Castagnola)的新锐研究员系列文章《纳米材料体外测试中的偏差来源:生物分子电晕的作用》(https://doi.org/10.1039/D3NH00510K),并在下面的采访中了解更多有关她的信息。
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引用次数: 0
A Blautia producta specific gFET-based aptasensor for quantitative monitoring of microbiome quality 基于 gFET 的 Blautia producta 特异性光电传感器,用于定量监测微生物群质量。
IF 8 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-10-12 DOI: 10.1039/D4NH00281D
Hu Xing, Yiting Zhang, Runliu Li, Hans-Maximilian Ruzicka, Christopher Hain, Jakob Andersson, Anil Bozdogan, Marius Henkel, Uwe Knippschild, Roger Hasler, Christoph Kleber, Wolfgang Knoll, Ann-Kathrin Kissmann and Frank Rosenau

The use of health-relevant bacteria originating from human microbiomes for the control or therapy of diseases, including neurodegenerative disorders or diabetes, is currently gaining increasing importance in medicine. Directed and successful engineering of microbiomes via probiotic supplementation requires subtle, precise as well as, more importantly, easy, fast and convenient monitoring of its success, e.g., in patients’ gut. Based on a previously described polyclonal SELEX aptamer library evolved against the human gut bacterium Blautia producta, we finally isolated three individual aptamers that proved their performance concerning affinity, specificity and robustness in reliably labeling the target bacterium and in combination with “contaminating” control bacteria. Using biofunctionalization molecules on gFETs, we could specifically quantify 101–106 cells per mL, retrace their number in mixtures and determine aptamer Kd-values around 2 nM. These measurements were possible even in the context of a real human stool sample. Our results qualify gFETs in combination with BL2, BL7 and BL8 aptamers as a promising foundation for the construction of respective sensing devices, which will open new avenues towards developing an intended monitoring technique for probiotic therapy and microbiome engineering approaches.

目前,利用源自人类微生物组的健康相关细菌来控制或治疗疾病(包括神经退行性疾病或糖尿病)在医学中的重要性与日俱增。通过补充益生菌对微生物组进行定向和成功的工程设计需要微妙、精确,更重要的是,还需要对其成功与否进行简单、快速和方便的监测,例如在患者肠道中的监测。基于之前描述的针对人类肠道细菌 Blautia producta 进化的多克隆 SELEX 拟合物文库,我们最终分离出三种单独的拟合物,证明了它们在亲和性、特异性和稳健性方面的性能,可以可靠地标记目标细菌,并与 "污染 "对照细菌结合使用。利用 gFET 上的生物功能化分子,我们可以对每毫升中的 101-106 个细胞进行特异性量化,追溯它们在混合物中的数量,并确定 2 nM 左右的适配体 Kd 值。即使是在真实的人体粪便样本中,这些测量也是可能的。我们的研究结果表明,gFET 与 BL2、BL7 和 BL8 适合物的结合为构建相应的传感设备奠定了良好的基础,这将为开发用于益生菌疗法和微生物组工程方法的预期监测技术开辟新的途径。
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引用次数: 0
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Nanoscale Horizons
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