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Facile Combustion Synthesis of ZnO/CdMoO4 Type-II Heterojunction: A Mechanistic Approach to Enhance Solar-Driven H2O2 Generation ZnO/CdMoO4 ii型异质结的易燃烧合成:一种增强太阳能驱动H2O2生成的机制方法
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-05 DOI: 10.1002/cnma.202500543
Meichao Gao, Yuanyuan Feng, Ying Wang, Xiaoting Chen, Yunyun Gong, Zhaoshun Zhang, Yanan Cui, Xinfang Wang

This study demonstrates a one-pot combustion synthesis of a type-II ZnO/CdMoO4 heterojunction for highly efficient solar-driven hydrogen peroxide (H2O2) production. The optimized heterojunction exhibited a remarkable H2O2 generation rate of 332.86 μmol g−1 h−1 under simulated sunlight in the presence of methanol as a sacrificial agent, which is 3.2 times higher than that of pure ZnO. A series of characterization techniques (including XRD, SEM, TEM, XPS, UV-DRS) confirmed the successful formation of a close heterointerface with favorable staggered band alignment, which facilitates efficient charge separation and transfer. Mechanistic investigations revealed that the type-II heterojunction not only enhances the spatial separation of photogenerated electron–hole pairs but also promotes the two-electron oxygen reduction reaction for H2O2 production. This work offers a facile and scalable strategy for designing high-performance photocatalysts toward sustainable chemical synthesis.

本研究展示了一锅燃烧合成ii型ZnO/CdMoO4异质结的高效太阳能驱动过氧化氢(H2O2)生产。优化后的异质结在模拟阳光下,以甲醇为牺牲剂生成H2O2的速率为332.86 μmol g−1 h−1,是纯ZnO的3.2倍。一系列表征技术(包括XRD、SEM、TEM、XPS、UV-DRS)证实,成功形成了具有良好交错带排列的紧密异质界面,有利于有效的电荷分离和转移。机制研究表明,ii型异质结不仅增强了光生电子-空穴对的空间分离,而且促进了生成H2O2的双电子氧还原反应。这项工作为设计可持续化学合成的高性能光催化剂提供了一种简单而可扩展的策略。
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引用次数: 0
Impact of External Magnetic Fields on the Electrochemical Performance of Liquid Metal Batteries: A Finite Element Analysis 外加磁场对液态金属电池电化学性能的影响:有限元分析
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-30 DOI: 10.1002/cnma.202500499
Dilawar Hussain, Hulin Huang, Tasawouf Ali

The extended cycle life, excellent safety, and affordability of liquid metal batteries (LMBs) make them a viable option for large-scale stationary energy storage. However, stable stratification in the positive electrode inhibits convective mixing and causes extreme concentration polarization, which limits their discharge performance. In this study, we employ the finite element method to investigate the influence of external magnetic fields on the charge and discharge behavior of three-layer battery composed of Mg|LiF–LiBr|Te. Simulation results show that when a 120 mT magnetic field is applied, the discharge voltage rises by 24.43% at a current density of 300 mA cm−2. Strong magnetic effects are observed at a higher current density of 700 mA cm−2, where merely 80 mT magnetic field increases the discharge voltage by 62.66%. Additionally, we model and investigate three different LMB topologies with electrolyte thicknesses of 13 mm, 8 mm, and 5 mm. The voltage generated by the 5 mm-thick electrolyte LMB is 0.24 V higher than that of the 13 mm-thick electrolyte LMB by indicating that higher operating voltages are produced by thinner electrolytes. The findings enhance LMB performance and demonstrate that proper control of fluid flow is crucial for achieving better efficiency.

液态金属电池(lmb)的超长循环寿命、优异的安全性和可负担性使其成为大规模固定储能的可行选择。然而,正极的稳定分层抑制了对流混合,造成了极端的浓度极化,限制了它们的放电性能。在本研究中,我们采用有限元方法研究了外加磁场对Mg| liff - libr |Te三层电池充放电行为的影响。仿真结果表明,当施加120 mT磁场时,电流密度为300 mA cm−2时,放电电压上升24.43%。在700 mA cm−2的高电流密度下观察到强磁效应,其中仅80 mT的磁场就使放电电压增加了62.66%。此外,我们模拟并研究了电解质厚度分别为13mm、8mm和5mm的三种不同的LMB拓扑结构。5mm厚电解液LMB产生的电压比13mm厚电解液LMB高0.24 V,说明电解液越薄,产生的工作电压越高。研究结果提高了LMB的性能,并表明适当的流体流动控制是实现更高效率的关键。
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引用次数: 0
Boosting Photocatalytic H2 Evolution With Crystalline g-C3N4 From a Fixed-Temperature Intermediate-Stage Polymerization 固定温度中间阶段聚合促进结晶g-C3N4光催化析氢
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-30 DOI: 10.1002/cnma.202500582
Qinhao Wu, Wenting Shen, Qiangyu Xue, Yinsong Si

Graphitic carbon nitride (g-C3N4) holds great promise for photocatalytic hydrogen evolution, yet its efficiency is often limited by structural imperfections. Herein, we report a synthesis strategy that systematically engineers the polymerization process by controlling the intermediate-stage temperature and precursor (dicyandiamide, DCY) mass. The optimized sample (CCN-3.5), prepared at 240°C with 3.5 g of DCY, exhibits enhanced crystallinity and a remarkable hydrogen-evolution rate of 4355 μmol h−1 g−1, which is 5.71 times that of the pristine polymer. This superior performance is attributed to the optimized structure that facilitates charge migration. In contrast, excess precursor was found to disrupt structural integrity and impair photocatalytic activity. This work highlights the critical role of polymerization control in developing high-performance g-C3N4 photocatalysts.

石墨氮化碳(g-C3N4)在光催化析氢方面具有很大的前景,但其效率往往受到结构缺陷的限制。在此,我们报告了一种合成策略,通过控制中间阶段的温度和前驱体(双氰胺,DCY)的质量来系统地设计聚合过程。在240℃条件下,添加3.5 g DCY制备的优化样品(CCN-3.5)结晶度增强,析氢速率为4355 μmol h−1 g−1,是原始聚合物的5.71倍。这种优异的性能归功于优化的结构,有利于电荷的迁移。相反,过量的前驱体被发现破坏结构完整性和损害光催化活性。这项工作强调了聚合控制在开发高性能g-C3N4光催化剂中的关键作用。
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引用次数: 0
Urea-Assisted N-Doping of Nickel Sulfide for Enhanced Oxygen Evolution Reaction Performance 尿素辅助氮掺杂硫化镍增强析氧反应性能
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-20 DOI: 10.1002/cnma.202500434
Somnath Bali, Arnab Halder, Avijit Mondal

The oxygen evolution reaction (OER) limits the efficiency of electrochemical water splitting, making the development of low-cost, stable, and efficient catalysts a key challenge. In this work, nickel sulfide (NiS2) nanostructures are grown on cone-shaped graphite electrodes and further modified via annealing in the presence of urea or NaH2PO2, introducing N or P element to alter the electronic environment around Ni2+ centers. Comprehensive characterization (XRD, FE-SEM, EDX, ICP-AES, XPS, and electrochemical techniques) confirms successful doping. The OER activity follows the trend N-NiS2 > S-NiS2 > P-NiS2, correlating with the elemental electronegativity order of N > S > P. N-doped NiS2 achieves a low overpotential of 260 mV at 10 mA cm−2 and a Tafel slope of 53 mV dec−1 in 1 M KOH. Urea-derived ammonia treatment creates a porous, high-surface-area architecture that enhances easy mass transport and catalytic efficiency. This simple, scalable strategy presents a cost-effective route to high-performance OER electrocatalysts.

析氧反应(OER)限制了电化学水分解的效率,使得开发低成本、稳定、高效的催化剂成为一个关键挑战。在这项工作中,硫化镍(NiS2)纳米结构生长在锥形石墨电极上,并通过尿素或NaH2PO2存在下的退火进一步修饰,引入N或P元素来改变Ni2+中心周围的电子环境。综合表征(XRD, FE-SEM, EDX, ICP-AES, XPS和电化学技术)证实了掺杂的成功。OER活度遵循N & nis2 >; S- nis2 >; P- nis2的趋势,与N >; S >; P的元素电负性顺序相关。n掺杂的NiS2在10 mA cm−2下的过电位为260 mV,在1 M KOH下的Tafel斜率为53 mV dec−1。尿素衍生的氨处理创造了一个多孔的,高表面积的结构,提高了容易的质量运输和催化效率。这种简单、可扩展的策略为高性能OER电催化剂提供了一种经济有效的途径。
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引用次数: 0
Copper-Based Nanodrug for Enhancing Inhibitory Effect of Doxorubicin on Drug-Resistant Breast Cancer Cells by Multiple Pathways 铜基纳米药物通过多种途径增强阿霉素对耐药乳腺癌细胞的抑制作用
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-18 DOI: 10.1002/cnma.202500429
Runnan Shao, Shixu Kou, Ruiyan Long, Tong Yang, Shaoxin Xue, Siyi Hou, Yanfei Cai, Zhaoqi Yang

Breast cancer is one of the most common malignancies. Despite the continuous advancement in therapeutic approaches, the emergence of multidrug resistance (MDR) in cancer cells against chemotherapeutic agents such as doxorubicin (DOX) has posed significant challenges to cancer treatment, highlighting an urgent need for the development of novel therapeutic strategies. Studies have demonstrated that the antisense oligonucleotide MB1 and microRNA MiR489 can inhibit the expression of P-glycoprotein and Smad3, respectively, which are associated with tumor MDR. Additionally, Cu2+ can disrupt cellular metabolism, trigger proteotoxic stress responses, and induce cuproptosis in cells. Therefore, in this study, functional nucleic acids (MB1 and miR489), Cu2+, and DOX were assembled into an integrated novel nanodrug system DOX/Cu2+@(MB1+MiR489). This system enables the delivery of membrane-impermeable functional nucleic acids into cells without the need for additional carriers, thereby enhancing the inhibitory effect of DOX on drug-resistant breast cancer cells. The results showed that DOX/Cu2+@(MB1+MiR489) reduced the IC50 of DOX against MCF-7/ADM cells by 18-fold, significantly alleviated the resistance of drug-resistant breast cancer cells to DOX, and markedly inhibited their proliferation and migration.

乳腺癌是最常见的恶性肿瘤之一。尽管治疗方法不断进步,但癌细胞对化疗药物如阿霉素(DOX)的多药耐药(MDR)的出现给癌症治疗带来了重大挑战,迫切需要开发新的治疗策略。研究表明反义寡核苷酸MB1和microRNA MiR489可以分别抑制与肿瘤MDR相关的p -糖蛋白和Smad3的表达。此外,Cu2+可以破坏细胞代谢,引发蛋白质毒性应激反应,并诱导细胞cuprotosis。因此,本研究将功能核酸(MB1和miR489)、Cu2+和DOX组装成一个集成的新型纳米药物系统DOX/Cu2+@(MB1+ miR489)。该系统能够在不需要额外载体的情况下将膜不渗透的功能性核酸传递到细胞中,从而增强DOX对耐药乳腺癌细胞的抑制作用。结果表明,DOX/Cu2+@(MB1+MiR489)可使DOX对MCF-7/ADM细胞的IC50降低18倍,显著减轻耐药乳腺癌细胞对DOX的耐药性,并显著抑制其增殖和迁移。
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引用次数: 0
The Construction of n-n Heterojunction in Polyoxometalate Based Nanozyme to Enhance Peroxidase-Like Activity for Nitrite Detection 构建基于多金属氧酸盐的n-n异质结纳米酶增强亚硝酸盐检测过氧化物酶样活性
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1002/cnma.202500542
Kequan Yao, Junjun Lu, Wanyi Xue, Xinxin Xu

Nitrite (NO2) is a notorious pollutant that has attracted increasing concern. This study synthesizes a novel polyoxometalate (POM) nanozyme Fe2V4O13/V2O5and leverages its excellent catalytic performance to develop asmartphone-based platform for the highly sensitive detection of NO2. An n–n heterojunction formed between Fe2V4O13 and V2O5 induces electron redistribution, generating a built-in electric field that improves the interaction between Fe2V4O13 and substrates in peroxidase-like (POD-like) catalysis. Given the excellent POD-like activity of Fe2V4O13/V2O5, NO2 can undergo diazotization reaction with the blue oxidized product ox-TMB generated by the nanozyme catalyzing 3,3,5,5-tetramethylbenzidine (TMB), resulting in the solution color changing from blue to yellow. Consequently, a visible colorimetry is developed for NO2 detection with a low limit of detection (LOD). The method has demonstrated excellent performance in the actual detection of NO2 in water samples. This work not only offers a new construction strategy to enhance the catalytic activity of POM-based nanozymes, but also provides an efficient and practical platform for the highly sensitive NO2 detection.

亚硝酸盐(NO2−)是一种臭名昭著的污染物,引起了越来越多的关注。本研究合成了一种新型的多金属氧酸盐(POM)纳米酶Fe2V4O13/ v2o5,并利用其优异的催化性能开发了基于智能手机的NO2−高灵敏度检测平台。Fe2V4O13和V2O5之间形成n-n异质结,诱导电子重分布,产生内建电场,提高了Fe2V4O13与底物在过氧化物酶样(POD-like)催化中的相互作用。由于Fe2V4O13/V2O5具有优异的pod样活性,NO2−可以与纳米酶催化3,3,5,5-四甲基联苯胺(TMB)生成的蓝色氧化产物氧-TMB发生重氮化反应,使溶液由蓝色变为黄色。因此,开发了一种具有低检测限(LOD)的NO2−可见比色法。该方法在实际水样中NO2−的检测中表现出优异的性能。这项工作不仅为提高pom基纳米酶的催化活性提供了新的构建策略,而且为高灵敏度的NO2−检测提供了一个高效实用的平台。
{"title":"The Construction of n-n Heterojunction in Polyoxometalate Based Nanozyme to Enhance Peroxidase-Like Activity for Nitrite Detection","authors":"Kequan Yao,&nbsp;Junjun Lu,&nbsp;Wanyi Xue,&nbsp;Xinxin Xu","doi":"10.1002/cnma.202500542","DOIUrl":"https://doi.org/10.1002/cnma.202500542","url":null,"abstract":"<p>Nitrite (NO<sub>2</sub><sup>−</sup>) is a notorious pollutant that has attracted increasing concern. This study synthesizes a novel polyoxometalate (POM) nanozyme <b>Fe</b><sub><b>2</b></sub><b>V</b><sub><b>4</b></sub><b>O</b><sub><b>13</b></sub><b>/V</b><sub><b>2</b></sub><b>O</b><sub><b>5</b></sub>and leverages its excellent catalytic performance to develop asmartphone-based platform for the highly sensitive detection of NO<sub>2</sub><sup>−</sup>. An n–n heterojunction formed between Fe<sub>2</sub>V<sub>4</sub>O<sub>13</sub> and V<sub>2</sub>O<sub>5</sub> induces electron redistribution, generating a built-in electric field that improves the interaction between Fe<sub>2</sub>V<sub>4</sub>O<sub>13</sub> and substrates in peroxidase-like (POD-like) catalysis. Given the excellent POD-like activity of <b>Fe</b><sub><b>2</b></sub><b>V</b><sub><b>4</b></sub><b>O</b><sub><b>13</b></sub><b>/V</b><sub><b>2</b></sub><b>O</b><sub><b>5,</b></sub> NO<sub>2</sub><sup>−</sup> can undergo diazotization reaction with the blue oxidized product ox-TMB generated by the nanozyme catalyzing 3,3,5,5-tetramethylbenzidine (TMB), resulting in the solution color changing from blue to yellow. Consequently, a visible colorimetry is developed for NO<sub>2</sub><sup>−</sup> detection with a low limit of detection (LOD). The method has demonstrated excellent performance in the actual detection of NO<sub>2</sub><sup>−</sup> in water samples. This work not only offers a new construction strategy to enhance the catalytic activity of POM-based nanozymes, but also provides an efficient and practical platform for the highly sensitive NO<sub>2</sub><sup>−</sup> detection.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145905045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Partially Oxidized Cu@Graphene Clusters for Hydrogen Evolution Reaction 部分氧化Cu@Graphene簇析氢反应
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1002/cnma.202500443
Chi-Ang Tseng, Zi-Yu Chen, Kuo-Tai Hsu, Dung-Sheng Tsai, Chuan-Pei Lee

A facile one-step chemical vapor deposition (CVD) synthesis of multilayer graphene-wrapped copper nanoparticles (MLG-CuNPs), followed by an air-heating step to yield hollow clusters consisiting of partially oxidized-MLG-CuNPs, is investigated for the application on hydrogen evolution electrocatalysis. Scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) confirm the hollow architectures of the clusters, while X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analyses verify the surface oxidation of MLG-CuNPs and the retention of conductive copper core. The oxidized-MLG-CuNPs electrode can drive the hydrogen evolution reaction (HER) at a current density of 10 mA cm−2 with a small overpotential of 290 mV and the Tafel slope of 151 mV dec.−1; while the overpotential values of oxidized-MLG and oxidized-CuNPs electrode for reaching the same current density are 569 mV and 417 mV, respectively. Moreover, the oxidized-MLG-CuNPs electrode remains stable in an alkaline electrolyte for 500 cycles. These results highlight the potential of oxidized-MLG-CuNPs as an efficient and durable nonprecious electrocatalyst for hydrogen evolution in alkaline electrolyte.

研究了一种简单的一步化学气相沉积(CVD)法制备多层石墨烯包覆铜纳米粒子(MLG-CuNPs),然后通过空气加热步骤生成由部分氧化的MLG-CuNPs组成的空心团簇,并将其应用于析氢电催化。扫描电子显微镜(SEM)和高分辨率透射电子显微镜(HRTEM)证实了簇的中空结构,而x射线衍射(XRD)和x射线光电子能谱(XPS)分析证实了MLG-CuNPs的表面氧化和导电铜芯的保留。氧化后的mlg - cunps电极可以在10 mA cm−2的电流密度下驱动析氢反应,过电位为290 mV, Tafel斜率为151 mV / 12−1;氧化- mlg和氧化- cunps电极达到相同电流密度时的过电位值分别为569 mV和417 mV。此外,氧化的mlg - cunps电极在碱性电解液中可保持500次循环的稳定性。这些结果突出了氧化- mlg - cunps作为碱性电解质中高效耐用的非贵重析氢电催化剂的潜力。
{"title":"Partially Oxidized Cu@Graphene Clusters for Hydrogen Evolution Reaction","authors":"Chi-Ang Tseng,&nbsp;Zi-Yu Chen,&nbsp;Kuo-Tai Hsu,&nbsp;Dung-Sheng Tsai,&nbsp;Chuan-Pei Lee","doi":"10.1002/cnma.202500443","DOIUrl":"https://doi.org/10.1002/cnma.202500443","url":null,"abstract":"<p>A facile one-step chemical vapor deposition (CVD) synthesis of multilayer graphene-wrapped copper nanoparticles (MLG-CuNPs), followed by an air-heating step to yield hollow clusters consisiting of partially oxidized-MLG-CuNPs, is investigated for the application on hydrogen evolution electrocatalysis. Scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) confirm the hollow architectures of the clusters, while X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analyses verify the surface oxidation of MLG-CuNPs and the retention of conductive copper core. The oxidized-MLG-CuNPs electrode can drive the hydrogen evolution reaction (HER) at a current density of 10 mA cm<sup>−2</sup> with a small overpotential of 290 mV and the Tafel slope of 151 mV dec.<sup>−1</sup>; while the overpotential values of oxidized-MLG and oxidized-CuNPs electrode for reaching the same current density are 569 mV and 417 mV, respectively. Moreover, the oxidized-MLG-CuNPs electrode remains stable in an alkaline electrolyte for 500 cycles. These results highlight the potential of oxidized-MLG-CuNPs as an efficient and durable nonprecious electrocatalyst for hydrogen evolution in alkaline electrolyte.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"12 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145905017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Promoting Effect of Aluminum Oxide on Cu/ZrO2-Al2O3 Composite Catalyst for Selective Hydrogenolysis of Glycerol to 1,2-Propanediol 氧化铝对Cu/ZrO2-Al2O3复合催化剂选择性氢解甘油制1,2-丙二醇的促进作用
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1002/cnma.202500590
Xiaoyan Pu, Lingling Yang, Guoli Fan, Lingyu Zhong, Ying Guo, Jiawen He, Feng Li

The glycerol hydrogenolysis reaction is a critical connection between the biodiesel industry and the production of high-value-added chemicals, underscoring its significant development potential and substantial social value. In this study, we synthesized a series of Cu-ZrO2-Al2O3 catalysts and investigated the influence of Al2O3 on the dispersion and chemical states of Cu species, the surface acid–base properties of the ZrO2-Al2O3 support, and the overall catalytic performance for the selective hydrogenolysis of glycerol to 1,2-propanediol (1,2-PDO). The results indicate that the addition of appropriate amounts of Al2O3 enhances the dispersion of copper active sites within the catalyst, reduces both the quantity and strength of basic sites, and increases the proportion of medium-strength acid sites on the surface. The improved dispersion of Cu active species, an optimal balance between acidity and alkalinity, along with a synergistic interaction between Cu active species and surface acid–base sites collectively facilitates the smooth progression of the dehydration–hydrogenation pathway involving acidic sites. Consequently, the optimal Cu/ZrO2-10%Al2O3 catalyst exhibits excellent catalytic capability and cyclic stability under mild conditions, achieving a glycerol conversion rate of 94.1% and a selectivity toward 1,2-PDO of 96.0%. Furthermore, these copper-based catalysts may have potential applications in the efficient exploitation and utilization of biomass resource.

甘油氢解反应是连接生物柴油工业和高附加值化学品生产的关键环节,具有巨大的发展潜力和巨大的社会价值。在本研究中,我们合成了一系列Cu-ZrO2-Al2O3催化剂,并研究了Al2O3对Cu的分散和化学状态,ZrO2-Al2O3载体的表面酸碱性质,以及甘油选择性氢解制1,2-丙二醇(1,2- pdo)的整体催化性能的影响。结果表明:适量Al2O3的加入增强了铜活性位点在催化剂内部的分散,降低了碱性位点的数量和强度,增加了表面中等强度酸性位点的比例;铜活性物质分散性的改善、酸碱度的最佳平衡以及铜活性物质与表面酸碱位点之间的协同作用共同促进了涉及酸性位点的脱水-加氢途径的顺利进行。结果表明,Cu/ZrO2-10%Al2O3催化剂在温和条件下表现出优异的催化性能和循环稳定性,甘油转化率为94.1%,对1,2- pdo的选择性为96.0%。此外,这些铜基催化剂在生物质资源的高效开发利用方面具有潜在的应用前景。
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引用次数: 0
SCAPS-1D Modeling and Optimization of Perovskite Solar Cells With Inorganic Cu2O Hole-Transport Layers for Enhanced Performance 无机Cu2O空穴传输层钙钛矿太阳能电池的SCAPS-1D建模与优化
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1002/cnma.202500622
Sham Datto, Anik Halder, Md. Zubair Hossain, Santi M. Mandal, Debashis Panda

This study presents a detailed simulation model of a perovskite solar cell (PSC) developed using the SCAPS (Solar Cell Capacitance Simulator) software, aiming to enhance photovoltaic technology performance. In this work, the model incorporates CH3NH3PbI3 as the perovskite absorber layer, PCBM (phenyl-C61-butyric acid methyl ester) as the electron-transport material, and Cu2O as the hole-transport material. This combination was selected based on its suitability for achieving efficient charge transport in CH3NH3PbI3-based PSCs. The optimization process investigated how changes in layer thickness, defect density, and doping concentration influence carrier recombination and device output parameters, providing a deeper understanding of performance-limiting factors. The simulated device achieves impressive performance metrics, including an open-circuit voltage of 1.4807  V, a short-circuit current density of 25.13 mA/cm2, a fill factor of 86.95%, and a maximum power conversion efficiency of 32.36%. This work addresses a key challenge in PSCs by improving charge transport and enabling better stability by using robust inorganic Cu2O as the hole-transport layer (HTL). Cu2O is chosen here as an alternative to conventional organic HTLs due to its low cost and excellent thermal stability. Notably, the efficiency of the PSC has been significantly improved compared to previous models, mainly through the optimization of key material properties. This simulation study serves as a valuable tool for guiding the development of PSCs, offering both design strategies and a deeper understanding of the factors governing high energy conversion efficiency.

本研究利用SCAPS (solar cell电容模拟器)软件开发了钙钛矿太阳能电池(PSC)的详细仿真模型,旨在提高光伏技术的性能。在这项工作中,模型采用CH3NH3PbI3作为钙钛矿吸收层,PCBM(苯基- c61 -丁酸甲酯)作为电子传输材料,Cu2O作为空穴传输材料。选择该组合是基于其在ch3nh3pbi3基PSCs中实现高效电荷传输的适用性。优化过程考察了层厚、缺陷密度和掺杂浓度的变化对载流子复合和器件输出参数的影响,从而更深入地了解了性能限制因素。仿真器件实现了令人印象深刻的性能指标,包括开路电压为1.4807 V,短路电流密度为25.13 mA/cm2,填充系数为86.95%,最大功率转换效率为32.36%。这项工作通过使用强大的无机Cu2O作为空穴传输层(html)来改善电荷传输和实现更好的稳定性,解决了psc中的一个关键挑战。这里选择Cu2O作为传统有机HTLs的替代品,因为它成本低,热稳定性好。值得注意的是,与之前的模型相比,PSC的效率得到了显著提高,这主要是通过对关键材料性能的优化。该仿真研究为指导psc的开发提供了有价值的工具,提供了设计策略和对高能量转换效率控制因素的更深入理解。
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引用次数: 0
g-C3N4 Nanosheet/ZnO Nanosponge Heterojunctions for Efficient Visible-Light Photocatalytic Degradation of Methylene Blue g-C3N4纳米片/ZnO纳米海绵异质结高效可见光催化降解亚甲基蓝
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-16 DOI: 10.1002/cnma.202500519
Tu Cam Nguyen, Le Thanh Son, Manh Khai Nguyen, Tim Peppel, Dang Van Do

This study explores the photocatalytic performance of ZnO nanosponge (ZnO NSp), g-C3N4 nanosheet (g-C3N4 NSh), and their composite in degrading methylene blue (MB) under UV and visible-light irradiation. ZnO NSp displayed superior activity under UV light, achieving > 99% MB removal within 30 min and exhibiting the highest pseudo-first-order rate constant (0.124 min−1), outperforming both g-C3N4 NSh and the composite. In contrast, under visible light, the g-C3N4 NSh/ZnO NSp composite achieved 98% degradation within 60 min, attributed to enhanced charge separation across the heterojunction interface. The photocatalytic efficiency was influenced by pH, with neutral to alkaline conditions favoring MB removal through improved catalyst stability and adsorption capacity. Radical scavenging experiments confirmed superoxide (O2) and hydroxyl (HO•) radicals as the dominant reactive species driving degradation. These results demonstrate the complementary advantages of ZnO NSp and g-C3N4 NSh in different irradiation regimes and highlight the promise of their composite as an efficient, solar-responsive photocatalyst for wastewater remediation.

研究了ZnO纳米海绵(ZnO NSp)、g-C3N4纳米片(g-C3N4 NSh)及其复合材料在紫外和可见光照射下降解亚甲基蓝(MB)的光催化性能。ZnO NSp在紫外光下表现出优异的活性,在30 min内达到99%的MB去除率,并表现出最高的伪一阶速率常数(0.124 min−1),优于g-C3N4 NSh和复合材料。相比之下,在可见光下,g-C3N4 NSh/ZnO NSp复合材料在60分钟内实现了98%的降解,这归因于异质结界面上电荷分离的增强。光催化效率受pH的影响,中性至碱性条件有利于通过提高催化剂的稳定性和吸附能力来去除MB。自由基清除实验证实,超氧化物(O2•−)和羟基(HO•)自由基是驱动降解的主要反应物质。这些结果证明了ZnO NSp和g-C3N4 NSh在不同辐照条件下的互补优势,并强调了它们的复合材料作为一种高效的、太阳响应的光催化剂用于废水修复的前景。
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引用次数: 0
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ChemNanoMat
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