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Dual S-scheme Bi2MoO6/g-C3N4/Ag2MoO4 ternary heterojunction: Interfacial charge transfer, broadband spectrum, enhanced redox ability 双 S 型 Bi2MoO6/g-C3N4/Ag2MoO4 三元异质结:界面电荷转移、宽带光谱、增强的氧化还原能力
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-09-12 DOI: 10.1016/j.solidstatesciences.2024.107693
Vasudha Hasija , Aftab Aslam Parwaz Khan , Sonu , Konstantin P. Katin , Savaş Kaya , Pardeep Singh , Pankaj Raizada , Mohammad Asad , Malik Abdul Rub , Khalid A. Alzahrani
A ternary heterojunction bearing Bi2MoO6 and g-C3N4 is deposited on Ag2MoO4 for the photocatalytic degradation of sulfamethoxazole (SMX) antibiotic. Though the hydrothermal synthesis is non-directional, the dual S- scheme heterojunction formation is governed by the g-C3N4 serving as an electron bridge between Bi2MoO6 and Ag2MoO4. The potent strong interaction with both Bi2MoO6 and Ag2MoO4 facilitates high oxidation and reduction potential. The optimized Bi2MoO6/g-C3N4/Ag2MoO4 heterojunction with extended visible light absorption exhibits 96 % SMX degradation efficiency within 240 min of irradiations. The dual S-scheme configuration endows in-built electric field with vigorous driving force for charge carrier separation. The charge transfer mechanisms were validated by the photoluminescence results. Bi2MoO6/g-C3N4/Ag2MoO4 heterojunction demonstrates pseudo-first order kinetics with 0.143 kmin−1 for SMX degradation and ternary photocatalyst 83 % degraded SMX after successive five cycles. In the formed dual S-scheme Bi2MoO6/g-C3N4/Ag2MoO4heterojunction, OH and O2 radicals were the main reactive species for SMX degradation. This research contributes to the formation of stable multicomponent photocatalytic systems.
在 Ag2MoO4 上沉积了含 Bi2MoO6 和 g-C3N4 的三元异质结,用于光催化降解磺胺甲噁唑(SMX)抗生素。虽然水热合成是非定向的,但双 S 方案异质结的形成是由 g-C3N4 作为 Bi2MoO6 和 Ag2MoO4 之间的电子桥所决定的。g-C3N4 与 Bi2MoO6 和 Ag2MoO4 之间的强相互作用促进了高氧化和还原电位的形成。经过优化的 Bi2MoO6/g-C3N4/Ag2MoO4 异质结具有扩展的可见光吸收能力,在 240 分钟的照射时间内,SMX 降解效率达到 96%。双 S 型结构为电荷载流子分离提供了强大的内置电场驱动力。光致发光结果验证了电荷转移机制。Bi2MoO6/g-C3N4/Ag2MoO4 异质结以 0.143 kmin-1 的假一阶动力学降解了 SMX,三元光催化剂在连续五个周期后 83% 降解了 SMX。在所形成的双 S 型 Bi2MoO6/g-C3N4/Ag2MoO4 异质结中,●OH 和 ●O2- 自由基是降解 SMX 的主要反应物。这项研究有助于形成稳定的多组分光催化系统。
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引用次数: 0
A 3D open-framework amino acid templated cerium phosphite-oxalate showing proton conductive property 具有质子传导特性的三维开放框架氨基酸模板化亚磷酸铈-草酸盐
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-09-12 DOI: 10.1016/j.solidstatesciences.2024.107692
Honglu Li, Liangliang Huang, Yang Lu, Shanshan Zhao, Xin Shao, Yanfeng Bi

Using L-histidine as template, a three-dimensional (3D) open-framework cerium phosphite-oxalate, Ce2(H2O)2(H2PO3)2(C2O4)3·C6H11N3O2·H2O (1), has been synthesized under hydrothermal condition. Interestingly, it is the first example of lanthanide phosphite-oxalate with amino acid as the template. Compound 1 shows 3D framework with 8-, 12- and 20-ring channels and has a mog Moganite topology. A large amount of free water molecules and histidine cations are located in the channels of 1, which are favorable to the efficient proton transfer. Correspondingly, compound 1 displays temperature and humidity dependent proton conductivity with the highest value of 3.67 × 10−4 S cm−1 at 75 °C and 98 % RH.

以 L-组氨酸为模板,在水热条件下合成了三维(3D)开放框架的亚磷酸铈草酸盐 Ce2(H2O)2(H2PO3)2(C2O4)3-C6H11N3O2-H2O(1)。有趣的是,这是首个以氨基酸为模板的亚磷酸镧-草酸盐化合物。化合物 1 显示出具有 8 环、12 环和 20 环通道的三维框架,并具有莫氏莫干石拓扑结构。1 的通道中存在大量自由水分子和组氨酸阳离子,有利于质子的高效转移。相应地,化合物 1 显示出与温度和湿度相关的质子传导性,在 75 °C 和 98 % 相对湿度条件下的最高值为 3.67 × 10-4 S cm-1。
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引用次数: 0
One-pot construction of α-Fe2O3/ZnNiFe2O4 heterojunction by incomplete sol/gel-self-propagating method with choline chloride-ethylene glycol media and its photo-degradation performance 以氯化胆碱-乙二醇为介质的不完全溶胶/凝胶自促进法一锅构建α-Fe2O3/ZnNiFe2O4异质结及其光降解性能
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-09-10 DOI: 10.1016/j.solidstatesciences.2024.107694
Benjing Ren, Xiaoyi Wang, Qingxin Xu, Yuqi Sun, Qiaoji Yu, Jie Sun, Jinhong Meng

A magnetic α-Fe2O3/ZnNiFe2O4 composite photocatalyst was synthesized through a one-pot reaction employing choline chloride-ethylene glycol deep eutectic solvents and an incomplete sol-gel self-propagating method. The photocatalytic performance was assessed by removing methylene blue (MB) under 40 W visible light. With a 1.0 g/L catalyst dosage, 10 mg/L MB concentration, and pH levels of 6 and 12, removal rates of 97 % and 99 % were achieved within 90 min, respectively. The composite also demonstrated effective degradation of methyl orange (MO) and malachite green (MG). Stability tests revealed minimal reduction in photocatalytic activity after four cycles. Active species analysis identified ·O2 and ·OH as the primary agents in the photocatalytic process. XRD, XPS, UV–VIS DRS, HRTEM, PL, and EIS analyses confirmed the formation of a Z-scheme heterojunction between ZnNiFe2O4 and α-Fe2O3, which enhanced the specific surface area, electron transport capacity, and narrowed the band gap. This heterojunction improved the separation efficiency of photogenerated electron-hole pairs, resulting in enhanced photocatalytic activity and stability. This study presents a novel approach for preparing Z-scheme heterojunction photocatalysts through a one-pot reaction.

采用氯化胆碱-乙二醇深共晶溶剂和不完全溶胶-凝胶自促进法,通过一锅反应合成了磁性 α-Fe2O3/ZnNiFe2O4 复合光催化剂。通过在 40 W 可见光下去除亚甲基蓝(MB)来评估其光催化性能。在催化剂用量为 1.0 克/升、甲基溴浓度为 10 毫克/升、pH 值为 6 和 12 的条件下,90 分钟内的去除率分别达到 97% 和 99%。该复合材料还能有效降解甲基橙(MO)和孔雀石绿(MG)。稳定性测试表明,经过四个周期后,光催化活性的降低幅度极小。活性物种分析表明 -O2- 和 -OH 是光催化过程中的主要介质。XRD、XPS、UV-VIS DRS、HRTEM、PL 和 EIS 分析证实 ZnNiFe2O4 和 α-Fe2O3 之间形成了 Z 型异质结,从而提高了比表面积、电子传输能力并缩小了带隙。这种异质结提高了光生电子-空穴对的分离效率,从而增强了光催化活性和稳定性。本研究提出了一种通过一锅反应制备 Z 型异质结光催化剂的新方法。
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引用次数: 0
Thinly-walled NiFe2O4 nanotubes derived from Ni, Fe, N-codoped carbon nanofibers toward oxygen evolution reaction 掺杂 Ni、Fe、N 的纳米碳纤维衍生出的薄壁 NiFe2O4 纳米管,用于氧进化反应
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-09-08 DOI: 10.1016/j.solidstatesciences.2024.107691
Zhan Tian , He Wang , Guoqiang Li , Hongrui Jia , Guoxin Zhang

NiFe2O4 has emerged as an efficient oxygen evolution reaction (OER) electrocatalyst, with outstanding stability in alkaline media and excellent redox properties. In order to further improve the catalytic performance, thinly-walled NiFe2O4 nanotubes (NiFe2O4-NTs), efficiently derivable from Ni, Fe, N-codoped carbon nanofibers, were innovatively synthesized through a sequential route combing hydrothermal, electrospinning, and high-temperature sintering in this work. The NiFe2O4-NTs possess large diameter of around 120 nm and their thickness of the tube wall is only about 10 nm. The surface properties of NiFe2O4 can be adjusted by forming the Ni-N/Fe-N bonds. Excitingly, largely exposed active surface area and boosted catalytic reaction kinetics toward oxygen evolution reaction are realized. The required overpotential to deliver 10 mA cm−2 is only 331 mV, accompanied with favorable Tafel slope of only 51.8 mV dec−1, small charge transfer resistance, and superior reaction stability.

NiFe2O4 是一种高效的氧进化反应(OER)电催化剂,在碱性介质中具有出色的稳定性和氧化还原特性。为了进一步提高其催化性能,本研究通过水热法、电纺丝法和高温烧结法相结合的连续路线,创新性地合成了薄壁 NiFe2O4 纳米管(NiFe2O4-NTs),该纳米管可有效衍生自掺杂 Ni、Fe、N 的碳纳米纤维。NiFe2O4-NT 具有约 120 nm 的大直径,管壁厚度仅约 10 nm。通过形成 Ni-N/Fe-N 键,可以调整 NiFe2O4 的表面性质。令人兴奋的是,这种催化剂具有很大的活性表面积,并提高了氧进化反应的催化反应动力学。提供 10 mA cm-2 所需的过电位仅为 331 mV,塔菲尔斜率仅为 51.8 mV dec-1,电荷转移电阻小,反应稳定性高。
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引用次数: 0
Synthesis and study of structural, electric, and dielectric behavior of La0.5Sm0.2Sr0.3Mn1-xFexO3 perovskite La0.5Sm0.2Sr0.3Mn1-xFexO3 包晶的合成及其结构、电学和介电行为研究
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-09-02 DOI: 10.1016/j.solidstatesciences.2024.107682
Khouloud Abdouli , Wajdi cherif , Fatma khammassi , M.P. F. Graça , Olfa Messaoudi , Latifah Alfhaid , Rabaa Bousbih

In this study, the synthesized samples La0.5Sm0.2Sr0.3Mn1-xFexO3 (x = 0.05, 0.15 and 0.20) were thoroughly investigated for their crystalline structure, electrical conductivity, and dielectric properties, the samples were prepared using autocombustion method. According to the X-ray diffraction study, the samples crystallized in an orthorhombic symmetry with the Pnma space group. To measure the dielectric characteristics, impedance spectroscopy was conducted over the temperature range of 100–260 K and a frequency range of 100 Hz to 1 MHz. Measurements of AC conductivity are indeed utilized to investigate the transport properties of materials being studied. The results indicated that both temperature and frequency significantly influence the conduction process. Three theoretical hypotheses were proposed to explain the hopping conduction: overlapping large polaron tunneling (OLPT), the non-overlapping small polaron tunneling (NSPT) mechanism, and correlated barrier hopping (CBH). It is also shown that the conductivity diminishes with an increase in Fe content. La0.5Sm0.2Sr0.3Mn1-xFexO3 (x = 0.05, 0.15 and 0.20) can be used in electronic applications because of the high permittivity values confirmed by the dielectric measurements. With the aim of evaluating the distinct impacts of electrodes, grain boundaries, and grains on the complex impedance results, an appropriate alternative electrical circuit was utilized. Analysis of the sample's modulus indicated non-Debye characteristics and electrical relaxation phenomena. The materials exhibit good electrical properties, as well as strong chemical and thermal stability.

本研究采用自燃法制备了 La0.5Sm0.2Sr0.3Mn1-xFexO3 样品(x = 0.05、0.15 和 0.20),对其晶体结构、导电性和介电性能进行了深入研究。根据 X 射线衍射研究,样品结晶为正交对称的 Pnma 空间群。为了测量介电特性,在 100-260 K 的温度范围和 100 Hz 至 1 MHz 的频率范围内进行了阻抗光谱分析。交流电导率的测量实际上是用来研究被研究材料的传输特性。结果表明,温度和频率都会对传导过程产生重大影响。提出了三种理论假设来解释跳频传导:重叠大极子隧道(OLPT)、非重叠小极子隧道(NSPT)机制和相关势垒跳频(CBH)。研究还表明,电导率随着铁含量的增加而降低。La0.5Sm0.2Sr0.3Mn1-xFexO3(x = 0.05、0.15 和 0.20)可用于电子应用,因为介电测量证实了其高介电常数值。为了评估电极、晶界和晶粒对复合阻抗结果的不同影响,我们使用了一个适当的替代电路。对样品模量的分析表明了非戴贝特性和电弛豫现象。该材料具有良好的电气性能以及较强的化学稳定性和热稳定性。
{"title":"Synthesis and study of structural, electric, and dielectric behavior of La0.5Sm0.2Sr0.3Mn1-xFexO3 perovskite","authors":"Khouloud Abdouli ,&nbsp;Wajdi cherif ,&nbsp;Fatma khammassi ,&nbsp;M.P. F. Graça ,&nbsp;Olfa Messaoudi ,&nbsp;Latifah Alfhaid ,&nbsp;Rabaa Bousbih","doi":"10.1016/j.solidstatesciences.2024.107682","DOIUrl":"10.1016/j.solidstatesciences.2024.107682","url":null,"abstract":"<div><p>In this study, the synthesized samples La<sub>0.5</sub>Sm<sub>0.2</sub>Sr<sub>0.3</sub>Mn<sub>1-<em>x</em></sub>Fe<sub><em>x</em></sub>O<sub>3</sub> (<em>x</em> = 0.05, 0.15 and 0.20) were thoroughly investigated for their crystalline structure, electrical conductivity, and dielectric properties, the samples were prepared using autocombustion method. According to the X-ray diffraction study, the samples crystallized in an orthorhombic symmetry with the <em>Pnma</em> space group. To measure the dielectric characteristics, impedance spectroscopy was conducted over the temperature range of 100–260 K and a frequency range of 100 Hz to 1 MHz. Measurements of AC conductivity are indeed utilized to investigate the transport properties of materials being studied. The results indicated that both temperature and frequency significantly influence the conduction process. Three theoretical hypotheses were proposed to explain the hopping conduction: overlapping large polaron tunneling (OLPT), the non-overlapping small polaron tunneling (NSPT) mechanism, and correlated barrier hopping (CBH). It is also shown that the conductivity diminishes with an increase in Fe content. La<sub>0.5</sub>Sm<sub>0.2</sub>Sr<sub>0.3</sub>Mn<sub>1-<em>x</em></sub>Fe<sub><em>x</em></sub>O<sub>3</sub> (<em>x</em> = 0.05, 0.15 and 0.20) can be used in electronic applications because of the high permittivity values confirmed by the dielectric measurements. With the aim of evaluating the distinct impacts of electrodes, grain boundaries, and grains on the complex impedance results, an appropriate alternative electrical circuit was utilized. Analysis of the sample's modulus indicated non-Debye characteristics and electrical relaxation phenomena. The materials exhibit good electrical properties, as well as strong chemical and thermal stability.</p></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"157 ","pages":"Article 107682"},"PeriodicalIF":3.4,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142164796","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrigendum to “Influence of cobalt on magnetic, dielectric and electrochemical properties of copper ferrite nanoparticles via hydrothermal method” [Solid State Sci., 137 [March 2023] [107123] 钴对水热法纳米铜铁氧体磁性、介电和电化学特性的影响》更正 [Solid State Sci.
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-08-31 DOI: 10.1016/j.solidstatesciences.2024.107657
R. Priyadharsini , P. Dhamodharan , M. Venkateshwarlu , C. Manoharan
{"title":"Corrigendum to “Influence of cobalt on magnetic, dielectric and electrochemical properties of copper ferrite nanoparticles via hydrothermal method” [Solid State Sci., 137 [March 2023] [107123]","authors":"R. Priyadharsini ,&nbsp;P. Dhamodharan ,&nbsp;M. Venkateshwarlu ,&nbsp;C. Manoharan","doi":"10.1016/j.solidstatesciences.2024.107657","DOIUrl":"10.1016/j.solidstatesciences.2024.107657","url":null,"abstract":"","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"156 ","pages":"Article 107657"},"PeriodicalIF":3.4,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S129325582400222X/pdfft?md5=60da522ec37b9c8c0376a2c14dd7e106&pid=1-s2.0-S129325582400222X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142167546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced acetone gas sensor via TiO2 nanofiber-NiO nanoparticle heterojunction 通过 TiO2 纳米纤维-NiO 纳米粒子异质结强化丙酮气体传感器
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-08-31 DOI: 10.1016/j.solidstatesciences.2024.107683
Jiyeon Lee, Hyojung Kim, Muhammad Hilal, Zhicheng Cai

We present a high surface area sensor comprising NiO nanoparticles (NPs) incorporated within porous TiO2 nanofibers (NFs), showing a remarkable response to acetone. Initially, we synthesized Polyvinylpyrrolidone (PVP) NFs containing titanium (Ti) and nickel (Ni) salts using a simple electrospinning method. Subsequent calcination of the PVP NFs led to the formation of NiO NPs embedded within the porous TiO2 NFs. The resulting heterostructure material exhibited a significant response to acetone detection, with a ratio of electrical resistance in air (Ra) to that in the presence of gas (Rg) reaching 83 at its optimal operating temperature of 300 °C. Furthermore, it demonstrated stable performance under high relative humidity conditions.

我们展示了一种高比表面积传感器,它由多孔二氧化钛纳米纤维(NFs)中的氧化镍纳米颗粒(NPs)组成,对丙酮有显著的反应。最初,我们采用简单的电纺丝方法合成了含有钛(Ti)和镍(Ni)盐的聚乙烯吡咯烷酮(PVP)纳米纤维。随后对 PVP NFs 进行煅烧,形成了嵌入多孔 TiO2 NFs 中的 NiO NPs。由此产生的异质结构材料对丙酮检测有显著的响应,在 300 °C 的最佳工作温度下,空气中的电阻(Ra)与气体存在时的电阻(Rg)之比达到 83。此外,它在高相对湿度条件下也表现出稳定的性能。
{"title":"Enhanced acetone gas sensor via TiO2 nanofiber-NiO nanoparticle heterojunction","authors":"Jiyeon Lee,&nbsp;Hyojung Kim,&nbsp;Muhammad Hilal,&nbsp;Zhicheng Cai","doi":"10.1016/j.solidstatesciences.2024.107683","DOIUrl":"10.1016/j.solidstatesciences.2024.107683","url":null,"abstract":"<div><p>We present a high surface area sensor comprising NiO nanoparticles (NPs) incorporated within porous TiO<sub>2</sub> nanofibers (NFs), showing a remarkable response to acetone. Initially, we synthesized Polyvinylpyrrolidone (PVP) NFs containing titanium (Ti) and nickel (Ni) salts using a simple electrospinning method. Subsequent calcination of the PVP NFs led to the formation of NiO NPs embedded within the porous TiO<sub>2</sub> NFs. The resulting heterostructure material exhibited a significant response to acetone detection, with a ratio of electrical resistance in air (R<sub>a</sub>) to that in the presence of gas (R<sub>g</sub>) reaching 83 at its optimal operating temperature of 300 °C. Furthermore, it demonstrated stable performance under high relative humidity conditions.</p></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"156 ","pages":"Article 107683"},"PeriodicalIF":3.4,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142129958","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure and hydrogen sorption properties of Nd0.5Y0.5MgNi4-xCox alloys (x = 0–3) Nd0.5Y0.5MgNi4-xCox 合金(x = 0-3 )的晶体结构和吸氢特性
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-08-30 DOI: 10.1016/j.solidstatesciences.2024.107674
Yu Verbovytskyy , Kh Vlad , I. Zavaliy , B. Rożdżyńska-Kiełbik , V. Pavlyuk

The gas-phase and electrochemical hydrogenation properties of Nd0.5Y0.5MgNi4-xCox (where x varies from 0 to 3) were studied. Samples were prepared using sintering and annealing procedures. X-ray diffraction analysis indicated that all the alloys were single-phase. The alloys readily absorbed hydrogen, and the crystal structures of the resulting saturated hydrides were refined. Nd0.5Y0.5MgNi4H4.2 and Nd0.5Y0.5MgNi3CoH4.4 belong to the NdMgNi4H3.6 structural type, while Nd0.5Y0.5MgNi2Co2H5.5 and Nd0.5Y0.5MgNiCo3H6.0 belong to the LaMgNi4H4.85 structural type. Electrochemical studies revealed that the maximum discharge capacity of Nd0.5Y0.5MgNi4-xCox electrodes increased from 236 mAh/g to 328 mAh/g as the cobalt content increased. The high-rate dischargeability (HRD1000) initially decreased from 48 % to 7 % with increasing cobalt content, but then increased to 32 % at the highest cobalt concentration. Additionally, the electrochemical kinetic properties were determined and compared for these electrodes, including the charge-transfer resistance (Rct), polarization resistance (Rp), exchange current density (I0), limiting current density (IL), and hydrogen diffusion coefficient (DH).

研究了 Nd0.5Y0.5MgNi4-xCox(其中 x 为 0 至 3)的气相和电化学氢化特性。样品采用烧结和退火程序制备。X 射线衍射分析表明,所有合金都是单相的。合金很容易吸收氢气,由此产生的饱和氢化物的晶体结构也得到了完善。Nd0.5Y0.5MgNi4H4.2 和 Nd0.5Y0.5MgNi3CoH4.4 属于 NdMgNi4H3.6 结构类型,而 Nd0.5Y0.5MgNi2Co2H5.5 和 Nd0.5Y0.5MgNiCo3H6.0 属于 LaMgNi4H4.85 结构类型。电化学研究表明,随着钴含量的增加,Nd0.5Y0.5MgNi4-xCox 电极的最大放电容量从 236 mAh/g 增加到 328 mAh/g。随着钴含量的增加,高速放电率(HRD1000)最初从 48% 降至 7%,但在钴浓度最高时又增至 32%。此外,还测定并比较了这些电极的电化学动力学特性,包括电荷转移电阻 (Rct)、极化电阻 (Rp)、交换电流密度 (I0)、极限电流密度 (IL) 和氢扩散系数 (DH)。
{"title":"Crystal structure and hydrogen sorption properties of Nd0.5Y0.5MgNi4-xCox alloys (x = 0–3)","authors":"Yu Verbovytskyy ,&nbsp;Kh Vlad ,&nbsp;I. Zavaliy ,&nbsp;B. Rożdżyńska-Kiełbik ,&nbsp;V. Pavlyuk","doi":"10.1016/j.solidstatesciences.2024.107674","DOIUrl":"10.1016/j.solidstatesciences.2024.107674","url":null,"abstract":"<div><p>The gas-phase and electrochemical hydrogenation properties of Nd<sub>0.5</sub>Y<sub>0.5</sub>MgNi<sub>4-x</sub>Co<sub>x</sub> (where x varies from 0 to 3) were studied. Samples were prepared using sintering and annealing procedures. X-ray diffraction analysis indicated that all the alloys were single-phase. The alloys readily absorbed hydrogen, and the crystal structures of the resulting saturated hydrides were refined. Nd<sub>0.5</sub>Y<sub>0.5</sub>MgNi<sub>4</sub>H<sub>4.2</sub> and Nd<sub>0.5</sub>Y<sub>0.5</sub>MgNi<sub>3</sub>CoH<sub>4.4</sub> belong to the NdMgNi<sub>4</sub>H<sub>3.6</sub> structural type, while Nd<sub>0.5</sub>Y<sub>0.5</sub>MgNi<sub>2</sub>Co<sub>2</sub>H<sub>5.5</sub> and Nd<sub>0.5</sub>Y<sub>0.5</sub>MgNiCo<sub>3</sub>H<sub>6.0</sub> belong to the LaMgNi<sub>4</sub>H<sub>4.85</sub> structural type. Electrochemical studies revealed that the maximum discharge capacity of Nd<sub>0.5</sub>Y<sub>0.5</sub>MgNi<sub>4-x</sub>Co<sub>x</sub> electrodes increased from 236 mAh/g to 328 mAh/g as the cobalt content increased. The high-rate dischargeability (HRD<sub>1000</sub>) initially decreased from 48 % to 7 % with increasing cobalt content, but then increased to 32 % at the highest cobalt concentration. Additionally, the electrochemical kinetic properties were determined and compared for these electrodes, including the charge-transfer resistance (R<sub>ct</sub>), polarization resistance (R<sub>p</sub>), exchange current density (I<sub>0</sub>), limiting current density (I<sub>L</sub>), and hydrogen diffusion coefficient (D<sub>H</sub>).</p></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"156 ","pages":"Article 107674"},"PeriodicalIF":3.4,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142097143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pt nanoclusters as co-catalysts for efficient photocatalytic hydrogen evolution 铂纳米团簇作为高效光催化氢气进化的辅助催化剂
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-08-29 DOI: 10.1016/j.solidstatesciences.2024.107680
Junhao Jia , Yingjun Wang , Xiang Miao , Chengjian Wu , Min Zhang , Yunyuan Dong , Jianming Liao , Xiaobin Chen , Jiacheng Yao , Hongfei Yin

Photocatalytic water splitting for hydrogen production is an ideal strategy to relieve the energy crisis. In this work, Pt nanoclusters are employed as a co-catalyst to modify g-C3N4 for optimizing the photocatalytic hydrogen evolution performance. Compared with the pristine g-C3N4, the Pt nanoclusterss/g-C3N4 nanocomposites exhibit dramatic enhancement toward H2 production, where the H2 evolution rate of CN-Pt-C2 is nearly 425.1 times higher than pristine g-C3N4. The phase structure, morphology, optical properties, and surface chemical states of the fabricated samples are fully investigated. Based on the systematical characterizations, the reason for the enhanced H2 generation performance is disclosed. It is expected this work can provide a valuable reference for the fabrication of a co-catalyst-based photocatalytic system.

光催化分水制氢是缓解能源危机的理想策略。本研究采用铂纳米团簇作为辅助催化剂,对 g-C3N4 进行改性,以优化其光催化制氢性能。与原始 g-C3N4 相比,铂纳米团簇/g-C3N4 纳米复合材料的氢气产生率显著提高,CN-Pt-C2 的氢气进化率是原始 g-C3N4 的近 425.1 倍。对制备样品的相结构、形貌、光学特性和表面化学状态进行了全面研究。在系统表征的基础上,揭示了 H2 生成性能增强的原因。希望这项工作能为基于助催化剂的光催化系统的制备提供有价值的参考。
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引用次数: 0
An extension of atomic mean square displacement method for calculating melting temperatures in II-VI compounds 原子均方位移法在计算 II-VI 化合物熔化温度方面的扩展
IF 3.4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2024-08-29 DOI: 10.1016/j.solidstatesciences.2024.107681
Zhi-Yuan Qiu , Wen-Guang Li , Qi-Jun Liu , Zheng-Tang Liu

Understanding how solids melt and determining their melting temperatures is of great significance for studying the properties of materials. Based on the main idea of Lindemann's melting criterion and the first-principles calculation of density functional theory, we proposed the atomic mean square displacement method to predict the melting temperature of the material. In this paper, the application range of this method for calculating melting temperature is extended. 8 kinds of Ⅱ-Ⅵ compounds were selected as verification objects. The results show the accuracy of our method in predicting the melting temperature of Ⅱ-Ⅵ compounds.

了解固体如何熔化以及确定其熔化温度对于研究材料的性质具有重要意义。基于林德曼熔化准则的主要思想和密度泛函理论的第一性原理计算,我们提出了原子均方位移法来预测材料的熔化温度。本文扩大了该方法在计算熔化温度方面的应用范围。选取了 8 种Ⅱ-Ⅵ族化合物作为验证对象。结果表明,我们的方法在预测Ⅱ-Ⅵ化合物熔化温度方面具有很高的准确性。
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引用次数: 0
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