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Electron beam evaporated gold doped tungsten oxide nanostructured films for sensor applications 用于传感器应用的电子束蒸镀金掺杂氧化钨纳米结构薄膜
Pub Date : 2023-04-01 DOI: 10.1016/j.chphma.2022.09.003
Adilakshmi Griddaluru, Sivasankar Reddy Akepati

Gas sensors play a vital role in monitoring environmental pollution for human health, safety, and the detection of various gasses in the environment. Nanostructured metal oxide thin films have been widely used in sensor applications owing to their unique properties. In this study, pure and gold (Au) doped nanostructured tungsten trioxide (WO3) films were deposited on glass substrates by electron beam evaporation at room temperature. The microstructure of the WO3 films changed from nanoflakes to nanorods upon variation of the wt% of Au. The sensing properties of WO3 based nanostructure films were measured using a computer-controlled system. The gas sensing results showed that the Au-doped WO3 films exhibited a higher sensitivity than the undoped films. The 15 wt% Au-doped WO3 nanostructure films showed high sensitivity towards ethanol and the response (sensitivity) value was 89. The response and recovery times for 15 wt% Au-doped WO3 were 8 and 10 s, respectively.

气体传感器在监测环境污染、人类健康、安全和检测环境中的各种气体方面发挥着至关重要的作用。纳米结构金属氧化物薄膜由于其独特的性能,在传感器应用中得到了广泛的应用。在本研究中,通过电子束蒸发在室温下在玻璃衬底上沉积了纯的和金(Au)掺杂的纳米结构三氧化钨(WO3)膜。随着Au含量的变化,WO3薄膜的微观结构从纳米片变为纳米棒。使用计算机控制系统测量了WO3基纳米结构薄膜的传感性能。气敏结果表明,掺杂Au的WO3薄膜比未掺杂的WO3膜表现出更高的灵敏度。15wt%Au掺杂的WO3纳米结构膜显示出对乙醇的高灵敏度,并且响应(灵敏度)值为89。掺杂15wt%Au的WO3的响应时间和恢复时间分别为8和10s。
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引用次数: 1
Polaron-assisted nonadiabatic dynamics in protonated TiO2 with surface water molecule 极化子辅助表面水分子质子化TiO2的非绝热动力学
Pub Date : 2023-04-01 DOI: 10.1016/j.chphma.2023.02.005
Zhongfei Xu, Chuan Tong, Rutong Si, G. Teobaldi, Limin Liu
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引用次数: 0
Lyotropic liquid crystals of tetradecyldimethylaminoxide in water and the in situ formation of gold nanomaterials 十四烷基二甲氨基氧化物在水中的溶致液晶和金纳米材料的原位形成
Pub Date : 2023-04-01 DOI: 10.1016/j.chphma.2022.06.001
Na Zhang , Aoxue Xu , Baoyong Liu , Nicolas Godbert , Hongguang Li

Lyotropic liquid crystals (LLCs) produced by the self-assembly of surfactant in water represent an important class of highly ordered soft materials that have a wide range of applications. This study investigates the LLCs formed by a zwitterionic surfactant (tetradecyldimethylaminoxide, C14DMAO) in water. The organization of C14DMAO within the LLCs was determined based on a detailed analysis of small-angle X-ray scattering measurements and polarized microscopy observations of a typical sample. Additional to the singe-phase region, which has a hexagonal organization, several two-phase regions were observed, exhibiting the coexistence of hexagonal/cubic, cubic/lamellar, and hexagonal/lamellar phases. The phase behavior showed an obvious dependence on temperature, with more pronounced two-phase regions at lower temperatures. Using the LLCs as a matrix, Au nanospheres, nanoellipsoids, and nanorods were prepared without requiring additional reducing reagents. These three- and one-dimensional Au nanomaterials could be converted to two-dimensional plates via the introduction of a small amount of cationic surfactant to the LLCs, such as cetyltrimethylammonium bromide (CTAB) and 1-hexadecyl-3-methylimidazolium bromide ([C16MIm]B), which showed pronounced surface-enhanced Raman scattering activity towards solid rhodamine. The LLCs loaded with CTAB (or [C16MIm]B) and HAuCl4 exhibited slightly different structures and mechanical strength from the original LLCs, thereby forming a new class of highly crowded colloidal materials.

表面活性剂在水中自组装产生的溶致液晶(LLCs)是一类重要的高度有序的软材料,具有广泛的应用。本研究研究了两性离子表面活性剂(十四烷基二甲氨基氧化物,C14DMAO)在水中形成的LLCs。基于对典型样品的小角度X射线散射测量和偏振显微镜观察的详细分析,确定了LLCs中C14DMAO的组织。除了具有六方组织的单相区域外,还观察到几个两相区域,表现出六方/立方、立方/片层和六方/片层相的共存。相行为表现出明显的温度依赖性,在较低温度下具有更明显的两相区。使用LLCs作为基质,在不需要额外还原试剂的情况下制备了Au纳米球、纳米椭球体和纳米棒。通过在LLCs中引入少量阳离子表面活性剂,如十六烷基三甲基溴化铵(CTAB)和1-十六烷基-3-甲基咪唑鎓溴化物([C16Im]B),这些三维和一维Au纳米材料可以转化为二维板,其对固体罗丹明表现出明显的表面增强拉曼散射活性。负载CTAB(或[C16MIm]B)和HAuCl4的LLCs表现出与原始LLCs略有不同的结构和机械强度,从而形成了一类新的高度拥挤的胶体材料。
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引用次数: 1
Elastic properties of disordered binary hcp-Fe alloys under high pressure: Effects of light elements 无序二元hcp-Fe合金在高压下的弹性性能:轻元素的影响
Pub Date : 2023-04-01 DOI: 10.1016/j.chphma.2022.09.001
Zhenwei Niu , Shuqiong Zeng , Mei Tang , Zaixiu Yang

The effects of light elements on the elastic properties of disordered binary hcp-Fe alloys were investigated at high pressures using plane-wave density functional theory combined with the Monte Carlo special quasi-random structure method. We found that the increase in the O content in hcp-Fe had a more pronounced effect on the sound velocity than Si, S, and C. The longitudinal wave velocity was decreased by ∼ 6% with 2% O content, which was a much greater decrease than the values of 0.6% and 2% induced by the same content of Si and S, respectively, under high pressures. Compared with the other three light elements, the longitudinal wave velocity of the Fe-C alloy exhibited the most gradual decreasing with increasing C content. In addition, the effects of different O and S contents on the anisotropy of hcp-Fe alloys strongly depended on the variation in pressure, whereas the pressure only slightly affected the anisotropy of Fe-Si alloy systems.

采用平面波密度泛函理论和蒙特卡罗特殊的准随机结构方法,研究了轻元素对无序二元hcp-Fe合金在高压下弹性性能的影响。我们发现,与Si、S和C相比,hcp-Fe中O含量的增加对声速的影响更为显著。当O含量为2%时,纵波速度降低了~6%,这比在高压下相同含量的Si和S分别引起的0.6%和2%的值要大得多。与其他三种轻元素相比,Fe-C合金的纵波速度随着C含量的增加而逐渐降低。此外,不同O和S含量对hcp-Fe合金各向异性的影响很大程度上取决于压力的变化,而压力对Fe-Si合金系统的各向异性影响很小。
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引用次数: 0
Phosphor-aluminosilicate CsPbX3 perovskite fluorescent glass with low formation temperature for photoluminescence display applications 低形成温度的磷铝硅酸盐CsPbX3钙钛矿荧光玻璃,用于光致发光显示应用
Pub Date : 2023-03-01 DOI: 10.1016/j.chphma.2023.03.001
B. Liu, Jinkai Li, Bingqiang Cao, Lei Zhang, Z. Liu
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引用次数: 0
Carbon materials for metal-ion batteries 金属离子电池用碳材料
Pub Date : 2023-03-01 DOI: 10.1016/j.chphma.2023.02.002
Z. Qiu, Feng Cao, G. Pan, Chen Li, Minghua Chen, Yongqi Zhang, Xinping He, Yang Xia, X. Xia, Wenkui Zhang
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引用次数: 0
Boosting the high-rate performance and cycling life of NaTi2(PO4)3 anode by forming N-doped carbon coating derived from polyacrylonitrile 通过形成聚丙烯腈衍生的n掺杂碳涂层,提高了NaTi2(PO4)3阳极的高速性能和循环寿命
Pub Date : 2023-03-01 DOI: 10.1016/j.chphma.2023.02.004
Huan Yang, Zhongnian Yang, Y. Bai, Wenjing Du, Yuheng Wang, Jiru Xian
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引用次数: 0
Solvation number, thermochemical parameter, and viscosity study of sweeteners in aqueous and non-aqueous media through ultrasonic measurements 通过超声测量研究甜味剂在水和非水介质中的溶剂化数、热化学参数和粘度
Pub Date : 2023-02-01 DOI: 10.1016/j.chphma.2023.02.001
J.H. Rakini Chandrasekaran, S. Nithiyanantham
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引用次数: 0
Simultaneously enhancing the electronic and ionic conductivities of Li2ZnTi3O8 via modification with polyacrylonitrile-derived carbon for high-performance anodes 聚丙烯腈基碳改性同时提高高性能阳极Li2ZnTi3O8的电子电导率和离子电导率
Pub Date : 2023-01-01 DOI: 10.1016/j.chphma.2022.01.002
Yujun Bai , Jiali Qin , Jiaxuan Cai , Huiling Zhu , Tao Li , Yanxiang Wang , Yongxin Qi

Polyacrylonitrile (PAN) with CN bonds can be converted to nitrogen-doped carbon during carbonization, which enhances electronic conductivity by compensating for the deficiency of the Li2ZnTi3O8 (LZTO) anode. In this study, LZTO was modified by carbonizing a homogeneous PAN/LZTO powder mixture at approximately 800 ℃ for 5 h in nitrogen stream to uniformly coat nitrogen-doped carbon around the LZTO particles and to yield nitrogen-doped LZTO. PAN-60 exhibited a capacity retention of 74.8% as the current density increased from 0.1 to 1.6 A g−1, and had charge/discharge capacities of 250.1/250.8 mAh g−1 even after 1100 cycles at 0.5 A g−1. Structural and compositional analysis along with electrochemical tests showed that the uniform nitrogen-doped carbon coating and the nitrogen-doped LZTO favor electron transfer, while the defects induced by nitrogen-doping in LZTO promote Li-ion migration. The enhanced electronic and ionic conductivities are favorable to alleviate the polarization during cycling, and thus are responsible for the optimized performance.

在碳化过程中,具有CN键的聚丙烯腈(PAN)可以转化为氮掺杂碳,这通过补偿Li2ZnTi3O8(LZTO)阳极的不足来提高电子导电性。在本研究中,通过将均匀的PAN/LZTO粉末混合物在约800℃的氮气流中碳化5小时来对LZTO进行改性,以在LZTO颗粒周围均匀地涂覆氮掺杂的碳,从而获得氮掺杂的LZTO。当电流密度从0.1增加到1.6 a g−1时,PAN-60表现出74.8%的容量保持率,即使在0.5 a g−l下进行1100次循环后,其充电/放电容量也为250.1/250.8 mAh g−1。结构和成分分析以及电化学测试表明,均匀的氮掺杂碳涂层和氮掺杂的LZTO有利于电子转移,而氮掺杂引起的LZTO缺陷促进了锂离子的迁移。增强的电子和离子电导率有利于缓解循环过程中的极化,因此有助于优化性能。
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引用次数: 3
Two-dimensional Dirac materials: Tight-binding lattice models and material candidates 二维Dirac材料:紧束缚晶格模型和候选材料
Pub Date : 2023-01-01 DOI: 10.1016/j.chphma.2022.04.009
Runyu Fan, Lei Sun, Xiaofei Shao, Yangyang Li, Mingwen Zhao

The discovery of graphene has led to the devotion of intensive efforts, theoretical and experimental, to produce two-dimensional (2D) materials that can be used for developing functional materials and devices. This work provides a brief review of the recent developments in the lattice models of 2D Dirac materials and their relevant real material counterparts that are crucial for understanding the origins of 2D Dirac cones in electronic band structures as well as their material design and device applications. We focus on the roles of lattice symmetry, atomic orbital hybridization, and spin–orbit coupling in the presence of a Dirac cone. A number of lattice models, such as honeycomb, kagome, ruby, star, Cairo, and line-centered honeycomb, with different symmetries are reviewed based on the tight-binding approach. Inorganic and organic 2D materials, theoretically proposed or experimentally synthesized to satisfy these 2D Dirac lattice models, are summarized.

石墨烯的发现使人们在理论和实验上投入了大量精力来生产可用于开发功能材料和器件的二维(2D)材料。这项工作简要回顾了二维狄拉克材料晶格模型及其相关真实材料对应物的最新进展,这些进展对于理解电子能带结构中二维狄拉克锥的起源及其材料设计和器件应用至关重要。我们重点研究了晶格对称性、原子轨道杂化和狄拉克锥存在下的自旋-轨道耦合的作用。基于紧密结合方法,综述了许多具有不同对称性的晶格模型,如蜂窝、戈姆、红宝石、星形、开罗和线心蜂窝。综述了为满足这些二维Dirac晶格模型而从理论上提出或通过实验合成的无机和有机二维材料。
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引用次数: 10
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ChemPhysMater
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