Materials Science and Engineering B-advanced Functional Solid-state Materials最新文献_第4页

Improving catalytic performance of BaTiO3 perovskite nanoparticles through Sm and Sm@Ag deposition for environmental sustainability 通过 Sm 和 Sm@Ag 沉积提高 BaTiO3 珍珠岩纳米粒子的催化性能，实现环境可持续性

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-06 DOI: 10.1016/j.mseb.2024.117790

N.S. Mohan , M. Pandian , V. Vijayalakshmi , A. Arulraj

This paper investigates the efficiency and processes behind the photocatalytic degradation of Methylene Blue (MB) using BaTiO₃, Sm@BaTiO₃, and Sm@Ag@BaTiO₃ nanoparticles (NPs). PXRD analysis revealed that cubic phase BaTiO₃ NPs have mean crystallite sizes of 36, 48, and 57 nm, respectively. The band gap energies of BaTiO₃, Sm@BaTiO₃, and Sm@Ag@BaTiO₃ NPs, computed from UV–Vis spectra, are 3.73 eV, 3.69 eV, and 3.65 eV. FESEM analysis determined the spherical shape morphology of the produced NPs. Among the samples Sm@Ag@BaTiO₃ NPs demonstrated superior photocatalytic activity in degrading MB dye under UV light irradiation, achieving a dye degradation efficiency of approximately 83.20 %. The prepared nanoparticles showed significant consistency in reducing MB dye after four consecutive cycles, indicating their potential for repeated use. Our study demonstrates that green-synthesized BaTiO₃, Sm@BaTiO₃, and Sm@Ag@BaTiO₃ NPs exhibit superior photocatalytic activity under visible light irradiation, effectively degrading MB dye. The trans-esterification process was influenced by several reaction parameters, including the molar ratio of alcohol to oil (4:1), the catalyst quantity (100 mg), the reaction duration (60 min), and the temperature (80 °C). Under these optimized conditions, the biodiesel yield reached a maximum of 91 % at 80 °C for 60 min in the presence of 0.5 M Sm@Ag@BaTiO₃ NPs. Moreover, the catalyst demonstrated consistent performance across at least five runs and maintained effectiveness even after eight runs. These findings suggest that the catalyst has significant potential for producing biodiesel efficiently and cost-effectively under suitable reaction conditions.

本文研究了使用 BaTiO3、Sm@BaTiO3 和 Sm@Ag@BaTiO3 纳米粒子（NPs）光催化降解亚甲基蓝（MB）的效率和过程。PXRD 分析表明，立方相 BaTiO3 NPs 的平均结晶尺寸分别为 36、48 和 57 nm。根据紫外可见光谱计算出的 BaTiO3、Sm@BaTiO3 和 Sm@Ag@BaTiO3 NPs 的带隙能分别为 3.73 eV、3.69 eV 和 3.65 eV。FESEM 分析确定了所制备的 NPs 的球形形态。在这些样品中，Sm@Ag@BaTiO3 NPs 在紫外光照射下降解 MB 染料的光催化活性优异，染料降解效率约为 83.20%。所制备的纳米粒子在连续四个周期后在还原 MB 染料方面表现出了显著的一致性，这表明它们具有重复使用的潜力。我们的研究表明，绿色合成的 BaTiO3、Sm@BaTiO3 和 Sm@Ag@BaTiO3 NPs 在可见光照射下具有优异的光催化活性，能有效降解 MB 染料。反酯化过程受多个反应参数的影响，包括醇油摩尔比（4:1）、催化剂用量（100 毫克）、反应时间（60 分钟）和温度（80 °C）。在这些优化条件下，当 0.5 M Sm@Ag@BaTiO3 NPs 存在时，在 80 °C 条件下反应 60 分钟，生物柴油产量最高可达 91%。此外，催化剂在至少五次运行中表现出稳定的性能，甚至在八次运行后仍能保持有效性。这些研究结果表明，在合适的反应条件下，该催化剂具有高效、低成本生产生物柴油的巨大潜力。

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引用次数: 0

Facile synthesis of Cu2O nano-microspheres anode for lithium-ion batteries 轻松合成用于锂离子电池的 Cu2O 纳米微球负极

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-05 DOI: 10.1016/j.mseb.2024.117799

Xinghua Liang , Shuhong Yun , Shangfeng Tang , Yifei Zhao , Lihong Chen , Siying Li , Qicheng Hu

Transition metal oxide anode materials exhibit high theoretical specific capacities and can meet the energy density requirements through reasonable design. In this work, a facile wet-chemical method to fabricate Cu₂O nano-microspheres anode for lithium-ion batteries with controllable size varied from 0.4 ∼ 1.2 μm is introduced, which basically using copper acetate as copper precursor and ascorbic acid as reducing agent. The solvent composition (DI water only or DI water:Ethanol = 1:1), solution alkalinity (amount of NaOH input), and synthesis temperature are investigated as factors affecting the size and morphology of Cu₂O nano-microspheres. The samples are characterized by X-ray diffraction, transmission electron microscope and scanning electron microscope. Nanoparticle cluster structure is observed in the reaction product with the bi-solvent system. With the optimized synthesis condition, the prepared Cu₂O anode (size of ∼ 455 ± 41 nm) delivers an initial discharge capacity of 539 mAh/g at a current density of 0.5C, 100 cycles of cyclic discharge at 0.5C with a capacity retention rate of 84.73 %. At the current density of 2C, the specific capacity is 347 mAh/g. Even at a large current density of 5C, the specific capacity is still as high as 219 mAh/g, indicating good rate capability.

过渡金属氧化物负极材料具有很高的理论比容量，通过合理的设计可以满足能量密度的要求。本研究介绍了一种制备锂离子电池用 Cu2O 纳米微球负极的简便湿化学方法，该方法的基本原理是以醋酸铜为铜前驱体，抗坏血酸为还原剂。研究了影响 Cu2O 纳米微球尺寸和形貌的因素，包括溶剂成分（仅去离子水或去离子水：乙醇 = 1:1）、溶液碱度（NaOH 用量）和合成温度。样品通过 X 射线衍射、透射电子显微镜和扫描电子显微镜进行表征。在与生物溶剂体系的反应产物中观察到了纳米颗粒团簇结构。在优化合成条件下，制备的 Cu2O 阳极（尺寸为 455 ± 41 nm）在 0.5C 电流密度下的初始放电容量为 539 mAh/g，在 0.5C 下循环放电 100 次，容量保持率为 84.73%。在电流密度为 2C 时，比容量为 347 mAh/g。即使在 5C 的大电流密度下，比容量仍高达 219 mAh/g，显示出良好的速率能力。

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引用次数: 0

Fabrication of regular UiO-66(Ce) nanocubes and their electrochemical catalysis performance 规则 UiO-66(Ce)纳米立方体的制备及其电化学催化性能

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-05 DOI: 10.1016/j.mseb.2024.117800

Jingwei Yuan , Wanyin Xu , Yirong Wang , Shao Wang , Ronghui Hao , Yubing Dong , Qianqian Li , Yufeng Zhao

Metal-organic frameworks (MOFs), characterized with highly ordered porous structures and relatively high surface area, exhibit significant application potential in the field of electrochemistry catalysis. In this study, we successfully prepared UiO-66(Ce) particles with uniform nanocube morphology and the size distribution ranging from 90 to 156 nm. Both morphology and size can be precisely tuned by directly adjusting detailed synthesis parameters, including solvent concentration and reaction time. Moreover, the crystal growth mechanism of UiO-66(Ce) was comprehensively investigated through the microstructure characterization. Such uniform particles demonstrated a desirable electrocatalytic performance with hydrogen evolution reaction (HER) overpotential of 118.6 mV (at 10 mA cm⁻²) in alkaline electrolyte (1 M KOH). This study not only introduces a novel approach for the morphological manipulation of UiO-66(Ce), but also presents new material candidates for the advancement of high-performance electrochemical energy conversion systems.

金属有机框架（MOFs）具有高度有序的多孔结构和相对较高的比表面积，在电化学催化领域具有巨大的应用潜力。在这项研究中，我们成功制备了具有均匀纳米立方体形态的 UiO-66(Ce)颗粒，其尺寸分布范围为 90 至 156 nm。通过直接调节详细的合成参数，包括溶剂浓度和反应时间，可以精确地调整形貌和尺寸。此外，还通过微观结构表征全面研究了 UiO-66(Ce)的晶体生长机理。这种均匀的颗粒具有理想的电催化性能，在碱性电解质（1 M KOH）中的氢进化反应（HER）过电位为 118.6 mV（10 mA cm-2）。这项研究不仅为 UiO-66(Ce)的形态操作引入了一种新方法，还为高性能电化学能量转换系统的发展提供了新的候选材料。

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引用次数: 0

Half-metallicity and thermoelectric performance: A multifaceted investigation of Zr-based half-Heusler alloys 半金属性与热电性能：对锆基半赫斯勒合金的多方面研究

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-05 DOI: 10.1016/j.mseb.2024.117783

Bharti Gurunani, Dinesh C. Gupta

This work employs the linearized augmented plane-wave (LAPW) method within the framework of density functional theory (DFT) to explore the structural, elastic, electronic, magnetic, and thermoelectric properties of the Zr-based half-Heusler alloys CoZrSn and CoZrPb. The exchange–correlation functional is treated using both the Perdew-Burke-Ernzerhof (GGA-PBE) generalized gradient approximation and the Tran-Blaha-modified Beck-Johnson (TB-mBJ) potential, as implemented in the WIEN2k software package. Our findings indicate that the investigated material exhibits mechanical stability, suggesting its potential for experimental synthesis. Furthermore, both CoZrSn and CoZrPb display half-metallic behavior consistent with Slater-Pauling’s rule, characterized by an integer magnetic moment of 1 μB. Electronic band structures and density of states calculations, employing the TB-mBJ approximation, confirm this half-metallic character. Notably, indirect band gaps of 0.52 eV and 0.69 eV are observed for CoZrSn and CoZrPb, respectively. To investigate thermoelectric properties, including the Seebeck coefficient (S), electrical conductivity (σ), thermal conductivity (κ), and figure of merit (ZT), the Boltzmann transport equations within the DFT framework were utilized. The calculated values for the figure of merit and Seebeck coefficient suggest that the CoZrX alloys hold promise for thermoelectric applications. Significantly, there is a lack of prior experimental or theoretical investigations on the CoZrX half-Heusler alloys. Consequently, our theoretical predictions regarding the structural, elastic, electronic, magnetic, and thermoelectric properties provide valuable insights that can be further validated through future experimental studies.

这项研究在密度泛函理论（DFT）框架内采用线性化增强平面波（LAPW）方法，探索了锆基半赫斯勒合金 CoZrSn 和 CoZrPb 的结构、弹性、电子、磁性和热电特性。交换相关函数使用 WIEN2k 软件包中实现的 Perdew-Burke-Ernzerhof (GGA-PBE) 广义梯度近似和 Tran-Blaha 修正 Beck-Johnson (TB-mBJ) 势进行处理。我们的研究结果表明，所研究的材料具有机械稳定性，这表明它具有实验合成的潜力。此外，CoZrSn 和 CoZrPb 都显示出符合 Slater-Pauling 规则的半金属行为，其特征是 1 μB 的整数磁矩。采用 TB-mBJ 近似法进行的电子能带结构和态密度计算证实了这种半金属特性。值得注意的是，CoZrSn 和 CoZrPb 的间接带隙分别为 0.52 eV 和 0.69 eV。为了研究热电性能，包括塞贝克系数 (S)、电导率 (σ)、热导率 (κ)和优点系数 (ZT)，利用了 DFT 框架内的波尔兹曼传输方程。计算得出的优点系数和塞贝克系数表明，CoZrX 合金有望用于热电应用。值得注意的是，此前缺乏对 CoZrX 半赫斯勒合金的实验或理论研究。因此，我们关于结构、弹性、电子、磁性和热电特性的理论预测提供了宝贵的见解，可以通过未来的实验研究进一步验证。

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引用次数: 0

The phase composition, relaxor behavior and strain performance of the Pb(Mg1/3Nb2/3)O3-Pb(Zn1/3Nb2/3)O3 single crystal 铅（Mg1/3Nb2/3）O3-铅（Zn1/3Nb2/3）O3 单晶的相组成、弛豫行为和应变性能

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-04 DOI: 10.1016/j.mseb.2024.117796

Aiguo He , Shuwei Tang , Fayun Tang , Wei Long , Zengzhe Xi , Weiguo Liu

For exploiting relaxor materials with high strain and low hysteresis, Pb(Mg_1/3Nb_2/3)O₃– Pb(Zn_1/3Nb_2/3)O₃ (PMN-PZN) crystal was designed and grown. The grown crystal is light yellow with a maximum size of 13 × 10 × 8 mm³. Rietveld refinement and domain configuration at room temperature confirm the coexistence of cubic and rhombohedral phases, and the cubic phase is dominant. The Curie temperature of the grown crystal is slightly lower than room temperature and shows a strong frequency dependence. Strong dielectric relaxor performance is demonstrated by means of different ways. At a temperature of 26 ℃ and an electric field of 35 kV/cm, the saturation polarization reaches 22.62 μC/cm², the residual polarization is almost zero, the strain is about 0.1 %, and the hysteresis degree is 4 ∼ 5 %. Moderate strain and low hysteresis make PMN-PZN crystal display potential application in high-precision actuators. Moreover, in-situ domain evolution under an electric field was observed to understand the polarization and strain behaviors.

为开发具有高应变和低滞后的弛豫器材料，设计并生长了 Pb（Mg1/3Nb2/3）O3- Pb（Zn1/3Nb2/3）O3（PMN-PZN）晶体。生长出的晶体呈淡黄色，最大尺寸为 13 × 10 × 8 mm3。里特维尔德细化和室温下的畴构型证实了立方相和斜方体相共存，且立方相占优势。生长晶体的居里温度略低于室温，并显示出强烈的频率依赖性。强介电弛豫器的性能通过不同方式得到了证明。在温度为 26 ℃、电场为 35 kV/cm 时，饱和极化达到 22.62 μC/cm2，残余极化几乎为零，应变约为 0.1 %，磁滞度为 4 ∼ 5 %。适中的应变和低滞后使 PMN-PZN 晶体在高精度致动器中具有潜在的应用前景。此外，还观察了电场下的原位畴演化，以了解极化和应变行为。

{"title":"The phase composition, relaxor behavior and strain performance of the Pb(Mg1/3Nb2/3)O3-Pb(Zn1/3Nb2/3)O3 single crystal","authors":"Aiguo He , Shuwei Tang , Fayun Tang , Wei Long , Zengzhe Xi , Weiguo Liu","doi":"10.1016/j.mseb.2024.117796","DOIUrl":"10.1016/j.mseb.2024.117796","url":null,"abstract":"<div><div>For exploiting relaxor materials with high strain and low hysteresis, Pb(Mg<sub>1/3</sub>Nb<sub>2/3</sub>)O<sub>3</sub>– Pb(Zn<sub>1/3</sub>Nb<sub>2/3</sub>)O<sub>3</sub> (PMN-PZN) crystal was designed and grown. The grown crystal is light yellow with a maximum size of 13 × 10 × 8 mm<sup>3</sup>. Rietveld refinement and domain configuration at room temperature confirm the coexistence of cubic and rhombohedral phases, and the cubic phase is dominant. The Curie temperature of the grown crystal is slightly lower than room temperature and shows a strong frequency dependence. Strong dielectric relaxor performance is demonstrated by means of different ways. At a temperature of 26 ℃ and an electric field of 35 kV/cm, the saturation polarization reaches 22.62 μC/cm<sup>2</sup>, the residual polarization is almost zero, the strain is about 0.1 %, and the hysteresis degree is 4 ∼ 5 %. Moderate strain and low hysteresis make PMN-PZN crystal display potential application in high-precision actuators. Moreover, in-situ domain evolution under an electric field was observed to understand the polarization and strain behaviors.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"311 ","pages":"Article 117796"},"PeriodicalIF":3.9,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Exploring the thermoelectric performance of NiFeMnAl and ZnFeVAl as novel quaternary Heusler compounds 探索新型四元海斯勒化合物 NiFeMnAl 和 ZnFeVAl 的热电性能

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-04 DOI: 10.1016/j.mseb.2024.117789

Abhigyan Ojha, Rama Krushna Sabat, Sivaiah Bathula

Quaternary Heusler (QH) compounds, characterized by the chemical formula XX’YZ, are highly regarded in the energy materials sector due to their versatile electronic structures. The current study focuses on synthesizing novel QH compounds, NiFeMnAl and ZnFeVAl, through arc-melting followed by hot-pressing at 1073 K. Maximum Seebeck coefficients were exhibited ∼ −20.48 μV/K and ∼ −17.25 μV/K at 773 K for ZnFeVAl and NiFeMnAl, respectively. The evaluated power factor was ∼ 0.058 mWm⁻¹K⁻² for NiFeMnAl and ∼ 0.020 mWm⁻¹K⁻² for ZnFeVAl at 773 K. Furthermore, the lattice thermal conductivity (κ_l) was exhibited ∼ 8.73 Wm⁻¹K⁻¹ for NiFeMnAl and ∼ 6.92 Wm⁻¹K⁻¹ for ZnFeVAl at 773 K, with ZnFeVAl exhibiting a ∼ 20.73 % lower κ_l attributed to chemical bonding distortion arising from differences in constituent element electronegativity. Hence, these novel compounds offer a promising avenue for further research in TE materials, aiming to realize higher-performance materials for practical TE device applications.

以化学式 XX'YZ 为特征的四元海斯勒（QH）化合物因其多变的电子结构而在能源材料领域备受瞩目。目前的研究重点是通过电弧熔炼，然后在 1073 K 下热压合成新型 QH 化合物 NiFeMnAl 和 ZnFeVAl。在 773 K 下，ZnFeVAl 和 NiFeMnAl 的最大塞贝克系数分别为 ∼ -20.48 μV/K 和 ∼ -17.25 μV/K。此外，在 773 K 时，NiFeMnAl 的晶格热导率（κl）为 ∼ 8.73 Wm-1K-1，ZnFeVAl 为 ∼ 6.92 Wm-1K-1。92 Wm-1K-1，其中 ZnFeVAl 的 κl 值低 20.73%，这是由于组成元素的电负性不同导致化学键变形。因此，这些新型化合物为进一步研究 TE 材料提供了一条大有可为的途径，目的是为实际 TE 器件应用实现更高性能的材料。

{"title":"Exploring the thermoelectric performance of NiFeMnAl and ZnFeVAl as novel quaternary Heusler compounds","authors":"Abhigyan Ojha, Rama Krushna Sabat, Sivaiah Bathula","doi":"10.1016/j.mseb.2024.117789","DOIUrl":"10.1016/j.mseb.2024.117789","url":null,"abstract":"<div><div>Quaternary Heusler (QH) compounds, characterized by the chemical formula XX’YZ, are highly regarded in the energy materials sector due to their versatile electronic structures. The current study focuses on synthesizing novel QH compounds, NiFeMnAl and ZnFeVAl, through arc-melting followed by hot-pressing at 1073 K. Maximum Seebeck coefficients were exhibited ∼ −20.48 μV/K and ∼ −17.25 μV/K at 773 K for ZnFeVAl and NiFeMnAl, respectively. The evaluated power factor was ∼ 0.058 mWm<sup>−1</sup>K<sup>−2</sup> for NiFeMnAl and ∼ 0.020 mWm<sup>−1</sup>K<sup>−2</sup> for ZnFeVAl at 773 K. Furthermore, the lattice thermal conductivity (κ<sub>l</sub>) was exhibited ∼ 8.73 Wm<sup>−1</sup>K<sup>−1</sup> for NiFeMnAl and ∼ 6.92 Wm<sup>−1</sup>K<sup>−1</sup> for ZnFeVAl at 773 K, with ZnFeVAl exhibiting a ∼ 20.73 % lower κ<sub>l</sub> attributed to chemical bonding distortion arising from differences in constituent element electronegativity. Hence, these novel compounds offer a promising avenue for further research in TE materials, aiming to realize higher-performance materials for practical TE device applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"311 ","pages":"Article 117789"},"PeriodicalIF":3.9,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578909","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Data-driven designing of dyes: Chemical space generation and dipole moment prediction 数据驱动的染料设计：化学空间生成和偶极矩预测

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-04 DOI: 10.1016/j.mseb.2024.117792

Mudassir Hussain Tahir , Tagir Kadyrov , Ihab Mohamed Moussa

The current study presents machine learning-assisted designing of dyes for photovoltaics applications. Multiple machine learning models are trained to predict the dipole moment. Random forest model has appeared as best model with lower root mean square error value (1.01 Debye) and higher r-squared value (0.87). New dyes are designed using automatic method and their dipole moment is predicted using best machine learning model. The generated chemical space of dyes is visualized and analyzed using cluster plot, silhouette plot and t-distributed Stochastic Neighbor Embedding (t-SNE plot). 30 dyes with highest dipole moment values (6.31–7.12 Debye) are chosen. Chemical similarity analyses are performed on the selected dyes using cluster analysis and heatmap. Furthermore, an investigation into the synthetic accessibility score of the newly designed dyes is conducted. This method facilitates the swift selection of dyes for potential use in photovoltaic devices.

本研究介绍了机器学习辅助设计光伏应用染料的方法。研究人员训练了多个机器学习模型来预测偶极矩。随机森林模型以较低的均方根误差值（1.01 Debye）和较高的 r 平方值（0.87）成为最佳模型。使用自动方法设计新染料，并使用最佳机器学习模型预测其偶极矩。利用聚类图、剪影图和 t 分布随机邻域嵌入图（t-SNE 图）对生成的染料化学空间进行可视化分析。选择了 30 种偶极矩值最高（6.31-7.12 Debye）的染料。利用聚类分析和热图对所选染料进行化学相似性分析。此外，还对新设计染料的合成可及性得分进行了调查。这种方法有助于快速选择可能用于光伏设备的染料。

引用次数: 0

Facile electrooxidation of urea on nickel/metal oxide nanocomposites in alkaline media 碱性介质中镍/金属氧化物纳米复合材料上尿素的简便电氧化反应

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-02 DOI: 10.1016/j.mseb.2024.117785

Machireddy Narendra Reddy , Yellatur Chandra Sekhar , Loka Subramanyam Sarma

Development of efficient non-precious metal catalysts for electrocatalytic urea oxidation reaction (UOR) is highly sought to realize urea electrolysis as a viable electrochemical technology for the hydrogen production. Herein, a facile hydrothermal method is demonstrated to fabricate nickel/metal oxide nanocomposites (Ni-MnO₂, Ni-TiO₂ and Ni-MnO₂/TiO₂). The morphology and structural details of nickel/metal oxide nanocomposites are assessed using transmission electron microscopy (TEM) including high-resolution TEM, scanning electron microscopy (SEM)-energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD). Electrochemical efficacies of nickel/metal oxide nanocomposites are evaluated in 0.35 M urea solution under alkaline conditions (1 M KOH) using cyclic voltammetry (CV) and linear sweep voltammetry (LSV). Among the studied catalysts, Ni-MnO₂/TiO₂ exhibits reasonable electrocatalytic activity towards UOR (1.29 V vs Ag/AgCl satd. KCl is required to achieve 10 mAcm⁻² current density). Improved interfacing of nickel with tubular-like MnO₂ and presence of TiO₂ with MnO₂ all together contributed for the observed higher UOR catalytic activity. This work demonstrates the efficacies of interfacial engineering in achieving high performing electrocatalysts for UOR.

为了使尿素电解成为一种可行的制氢电化学技术，人们一直在寻求开发用于电催化尿素氧化反应（UOR）的高效非贵金属催化剂。本文展示了一种简便的水热法制备镍/金属氧化物纳米复合材料（Ni-MnO2、Ni-TiO2 和 Ni-MnO2/TiO2）。使用透射电子显微镜（TEM）（包括高分辨率 TEM）、扫描电子显微镜（SEM）-能量色散光谱（EDS）和 X 射线衍射（XRD）评估了镍/金属氧化物纳米复合材料的形态和结构细节。在碱性条件（1 M KOH）下的 0.35 M 尿素溶液中，使用循环伏安法（CV）和线性扫描伏安法（LSV）评估了镍/金属氧化物纳米复合材料的电化学效率。在所研究的催化剂中，Ni-MnO2/TiO2 对 UOR 具有合理的电催化活性（1.29 V 对 Ag/AgCl satd.达到 10 mAcm-2 电流密度需要氯化钾）。镍与管状二氧化锰界面的改善以及二氧化钛与二氧化锰的存在共同促成了所观察到的更高的 UOR 催化活性。这项工作证明了界面工程在实现高性能 UOR 电催化剂方面的功效。

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引用次数: 0

A high-capacity double-layered (NH4)0.5V2O5 in micro-rods structure for sodium storage 微棒结构中的高容量双层 (NH4)0.5V2O5 储钠器

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-02 DOI: 10.1016/j.mseb.2024.117793

Thi Hong Loan Dang , Thi Thu Trang Nguyen , Hai Nam Pham , Hoang Anh Nguyen , Thi Thu Hong Nguyen , Minh Dai To , Thu Thao Nguyen , Thi Nam Pham , Dai Lam Tran , Wen Jen Lee , Minh Thuan Pham , Anh Tuan Dao , Quang Vinh Lam , Thai Hoang Nguyen , Viet Hai Le , Le Thanh Nguyen Huynh

An ammonium vanadium bronze (NH₄)_0.5V₂O₅ (NVO) was synthesized via a hydrothermal route and investigated the Na-insertion/extraction process as a cathode for Na-ion batteries. The structural analysis confirms that the double-layered NVO in the micro-rods structure is formed by the double-sheet [VO₆] with a large distance interlayer of 9.717 Å to be suitable for reversible Na-storage. The charge–discharge cycling performance delivers ∼160 mAh/g for long-term 200 cycles with structural stability. The ex-situ EXD at various Na-content states demonstrates the shrinkage/expansion of the interlayers during Na-migration, and the NH₄⁺-ions play an essential role as the “pillar” of double-layered V₂O₅ to assure cycling stability. This work contributes to a high-capacity member of the V₂O₅ polymorph family in the context of Na-ion batteries.

通过水热法合成了铵钒青铜 (NH4)0.5V2O5（NVO），并研究了作为镎离子电池阴极的镎离子插入/萃取过程。结构分析表明，微棒结构中的双层 NVO 由双层 [VO6]构成，层间距离为 9.717 Å，适合于可逆性储纳。充放电循环性能在 200 次长期循环中可达到 160 mAh/g，且结构稳定。在不同的Na含量状态下进行的原位EXD显示了Na迁移过程中夹层的收缩/膨胀，而NH4+离子作为双层V2O5的 "支柱 "在确保循环稳定性方面发挥了重要作用。这项研究成果为钠离子电池中的高容量 V2O5 多晶体家族做出了贡献。

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引用次数: 0

Controlled growth of two-dimensional MoS2/WSe2 heterostructure solar cell by chemical vapor deposition 利用化学气相沉积技术控制二维 MoS2/WSe2 异质结构太阳能电池的生长

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering B-advanced Functional Solid-state Materials

Pub Date : 2024-11-02 DOI: 10.1016/j.mseb.2024.117787

C. Sreelakshmi , Pamula Siva , Rajesh Yalambaku , M. Ghanashyam Krishna , Kuraganti Vasu

The development of high-quality type II semiconductor heterostructures is crucial for solar energy conversion applications. Here, we report the sequential growth of MoS₂/WSe₂ two-dimensional semiconductor type II heterostructure using a one-step chemical vapor deposition. The morphological, Raman, and chemical analysis revealed that the WSe₂ layer is deposited on the rhombus-shaped MoS₂, forming a vertical MoS₂/WSe₂ heterostructure. The solar cell fabricated using the grown heterostructure exhibits a photovoltaic response with a conversion efficiency of 2.5 % and an open circuit voltage of 0.22 V, respectively. The numerical simulation study unravels the mechanism of charge separation and transport in the MoS₂/WSe₂ heterostructure solar cell.

开发高质量的 II 型半导体异质结构对太阳能转换应用至关重要。在此，我们报告了采用一步化学气相沉积法依次生长 MoS2/WSe2 二维半导体 II 型异质结构的过程。形态、拉曼和化学分析显示，WSe2 层沉积在菱形 MoS2 上，形成垂直的 MoS2/WSe2 异质结构。利用生长的异质结构制造的太阳能电池具有光电响应，转换效率为 2.5%，开路电压为 0.22 V。数值模拟研究揭示了 MoS2/WSe2 异质结构太阳能电池中的电荷分离和传输机制。

引用次数: 0