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A First-Principles Study on the Catalytic Reduction of CO2 to CH4 on Boron Doped Graphene: Role of B-Concentration 硼掺杂石墨烯催化CO2还原为CH4的第一性原理研究:b浓度的作用
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-09 DOI: 10.1007/s10562-026-05350-3
Sudatta Giri, Claretraja Selvaraj, Paawan Chandrakanth, Gokula Krishnan Manikandan, Devi Saraswathi Ravichandran, Purushothaman Manivannan, Debolina Misra

Single atom catalysts have garnered significant attention lately for their enhanced activity and selectivity towards CO2 reduction reaction. Nevertheless, the role of varying dopant concentration of the support on a catalyst’s activity, stability and selectivity, although pivotal for the design and development of an efficient catalyst, still remains insufficiently understood. Employing first-principles calculations based on density functional theory, this work explores the role of dopant concentration on the stability, selectivity and activity of transition metal single atom catalysts. Considering four representative single atom catalysts on Boron doped graphene support, our results indicated that higher boron concentration enhances the SACs’ stability, albeit weakens CO2 adsorption. All the catalyst candidates considered in this study, except Mo@B1–Gr, Ru@B3–Gr, and Pt@B3–Gr, showed strong CO2RR selectivity. Notably, Os@B1–Gr reduces CO2 to CH4 with − 0.44 V of UL. The observed variation in SACs’ stability and activity is finally attributed to the charge redistribution and varied metal adsorbates hybridization causing significant alterations in the electronic structures of the systems considered.

Graphical Abstract

近年来,单原子催化剂因其对CO2还原反应的选择性和活性的提高而受到广泛关注。然而,载体掺杂浓度的变化对催化剂活性、稳定性和选择性的影响,虽然对高效催化剂的设计和开发至关重要,但仍然没有得到充分的了解。本文采用基于密度泛函理论的第一性原理计算,探讨了掺杂剂浓度对过渡金属单原子催化剂的稳定性、选择性和活性的影响。通过对四种代表性单原子催化剂在硼掺杂石墨烯载体上的研究,我们的结果表明,高硼浓度增强了sac的稳定性,但削弱了CO2的吸附。除Mo@B1 -Gr、Ru@B3 -Gr和Pt@B3 -Gr外,本研究考虑的所有候选催化剂均表现出较强的CO2RR选择性。值得注意的是,Os@B1 -Gr以−0.44 V的UL将CO2还原为CH4。观察到的SACs稳定性和活性的变化最终归因于电荷再分配和不同的金属吸附杂化,导致所考虑的系统的电子结构发生重大变化。图形抽象
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引用次数: 0
Magnetically Recoverable CDA@IM-IL@MnFe2O4-SiO2–Pd Catalyst: A Robust System for C–C Bond Formation Reactions 磁可回收CDA@IM-IL @MnFe2O4-SiO2-Pd催化剂:C-C键形成反应的鲁棒体系
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-09 DOI: 10.1007/s10562-026-05337-0
Swapnil T. Kolape, Kiran S. Bagade, Shital D. Gaikwad, Ganesh D. Kokate

A novel magnetically supported palladium catalyst was synthesized via a simple one-pot method and applied for carbon–carbon bond-forming reactions. The catalyst shows outstanding performance in both Suzuki–Miyaura and Mizoroki–Heck reactions, achieving high yields within short reaction times. Its magnetic properties enabled rapid and efficient recovery using an external magnet, allowing reuse for up to six successive cycles with negligible loss of catalytic activity. Structural and morphological characterizations, such as X-ray Diffraction (XRD), Transmission Electron Microscopy (TEM), and X-ray Photoelectron Spectroscopy (XPS), confirmed the stability and distribution of palladium on the magnetic support. The combination of facile synthesis, high catalytic efficiency, and excellent recyclability makes this system a promising alternative to conventional palladium catalysts for sustainable organic synthesis.

Graphical Abstract

采用简单的一锅法合成了一种新型的磁负载钯催化剂,并将其应用于碳-碳成键反应。该催化剂在Suzuki-Miyaura反应和Mizoroki-Heck反应中均表现出优异的性能,在较短的反应时间内获得了较高的产率。它的磁性使其能够使用外部磁铁进行快速有效的回收,允许重复使用多达六个连续循环,而催化活性的损失可以忽略不计。通过x射线衍射(XRD)、透射电子显微镜(TEM)和x射线光电子能谱(XPS)等结构和形态表征,证实了钯在磁性载体上的稳定性和分布。易合成、高催化效率和优异的可回收性使该系统成为传统钯催化剂可持续有机合成的有希望的替代品。图形抽象
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引用次数: 0
Chiral Phosphine-Aminophosphine Ligands for Copper-Catalyzed Asymmetric Hydrogenation 铜催化不对称氢化的手性膦-氨基膦配体
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-09 DOI: 10.1007/s10562-026-05344-1
Zita Szabó, Zsófia Császár, Margit Kovács, József Bakos, Gergely Farkas

New chiral bidentate phosphine-aminophosphine ligands based on a pentane-2,4-diyl backbone, with the general formula Ph2PCH(CH3)CH2CH(CH3)N(R1)PR22 (R1 = Me, Et, nPr, nBu, iPr; R2 = Ph, Cy), have been developed and applied in the copper-catalyzed asymmetric hydrogenation of simple ketones. The addition of achiral monodentate phosphines as co-ligands significantly enhanced both catalytic turnover and enantioselectivity. It was observed that the steric properties of the ligands predominantly influence catalytic activity and enantioinduction, whereas their electronic characteristics play a secondary role. Comprehensive screening of reaction conditions, including variation of the metal source and careful selection of both chiral and achiral ligands with appropriately tuned stereochemistry, enabled the hydrogenation to proceed with low catalyst loadings (0.5 mol%) while maintaining high yields and enantioselectivities (up to 92% ee) across a broad substrate scope. Based on experimental findings and relevant literature precedents, a mechanistic proposal is presented to explain the observed reactivity trends.

Graphical Abstract

Graphical Abstract

以戊烷-2,4-二烷基为骨架的新型手性双齿膦-氨基膦配体,其分子式为Ph2PCH(CH3)CH2CH(CH3)N(R1)PR22 (R1 = Me, Et, nPr, nBu, iPr; R2 = Ph, Cy),并应用于铜催化简单酮的不对称加氢反应。非手性单齿膦作为共配体的加入显著提高了催化转化率和对映体选择性。观察到配体的空间性质主要影响催化活性和对映体诱导,而它们的电子特性起次要作用。通过对反应条件的全面筛选,包括金属来源的变化,以及适当调整立体化学的手性和非手性配体的仔细选择,使氢化反应在低催化剂负载(0.5 mol%)的情况下进行,同时在广泛的底物范围内保持高收率和对映选择性(高达92% ee)。根据实验结果和相关文献先例,提出了一种解释观察到的反应性趋势的机制建议。图形抽象
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引用次数: 0
Pd-Catalyzed Aminocarbonylation of Aryldiazonium Tetrafluoroborate Salts with Ammonia Surrogate to Access Primary Amides Under Ligand and Base-Free Conditions 在配体和无碱条件下,用氨替代物催化芳基重氮四氟硼酸盐氨基羰基化制备伯胺
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-07 DOI: 10.1007/s10562-026-05349-w
Bharati Mourya, Shankar B. Chaudhari, Sandip T. Gadge, Bhalchandra M. Bhanage

A sustainable, new, and efficient protocol has been developed, which provides a mild route to primary amides via Pd-catalyzed aminocarbonylation of aryldiazonium tetrafluoroborate salts with an ammonia surrogate under ligand and base-free conditions. The employment of readily available aryldiazonium salts, derived from inexpensive anilines, as aryl sources renders this transformation both practically and economically. Characteristically, this study reports the first ligand and base-free aminocarbonylation employing an ammonia surrogate with diazonium salts. The methodology demonstrates broad substrate compatibility, tolerating diverse functional groups and delivering the desired primary amides in good to excellent yields. This operationally simple and environmentally benign approach eliminates the need for gaseous ammonia and external ligand and bases, offering a mild, atom-economical, and efficient strategy for primary amide synthesis.

Graphical Abstract

In this protocol, a novel, sustainable, simple and efficient palladium-catalyzed protocol has been developed for the access of primary amides via aminocarbonylation of aryldiazonium tetrafluoroborate salts with an ammonia surrogate, providing a mild route to primary amides under ligand and base-free conditions.

在无配体和无碱基的条件下,用氨替代物催化芳基重氮四氟硼酸盐氨基羰基化,为合成伯胺提供了一条可持续的、新的、高效的途径。利用现成的芳基重氮盐,从廉价的苯胺中提取,作为芳基来源,使这种转化既实际又经济。具有特点的是,本研究报告了第一个配体和无碱氨基羰基化,采用氨替代物和重氮盐。该方法证明了广泛的底物相容性,容忍不同的官能团,并以良好的收率提供所需的伯胺。这种操作简单且环保的方法消除了对气态氨和外部配体和碱基的需求,为原酰胺合成提供了一种温和、原子经济、高效的策略。本方案提出了一种新颖、可持续、简单、高效的钯催化四氟硼酸芳基重氮盐氨基羰基化制备伯酰胺的方案,为在配体和无碱条件下制备伯酰胺提供了一条温和的途径。
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引用次数: 0
Production of Hydrogen Gas via Pt/C Catalyzed Decomposition of Formic Acid Pt/C催化甲酸分解制氢研究
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-07 DOI: 10.1007/s10562-026-05336-1
Tayyaba Batool, Mansor Hussain, Muhammad Saeed, Nadia Akram, Muhammad Usman, Javeria Hassan, Dania Arif

The pollution-free combustion and high energy density of hydrogen gas make it a suitable and clean energy carrier. However, its sustainable, safe, and efficient production and transportation are the major challenges that limit the practical applications of hydrogen as a source of energy. In this study, hydrogen gas was produced via Platinum supported on carbon (Pt/C) catalyzed decomposition of formic acid, a liquid hydrogen carrier. Various Pt/C catalysts loaded with 1, 4, 6, 8, and 10% Pt were prepared and utilized as catalysts for the decomposition of formic acid. The 6% Pt/C was found as effective catalyst, achieving maximum gas production within the shortest reaction time under mild conditions (60 °C, 0.2 M formic acid, 0.04 g catalyst) in this study. The progress of the reaction was monitored by measuring the total volume of gas produced by the water displacement method. Kinetic analysis based on a Langmuir–Hinshelwood model yielded an apparent rate constant of 0.2136 min− 1, indicating efficient surface-mediated catalysis. The energy of activation was calculated as 81.1 kJ/mol. It was characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), energy dispersive X-ray spectroscopy (EDX), and scanning electron microscopy (SEM). The results demonstrate that optimized Pt/C catalysts enable efficient, low-temperature hydrogen generation from formic acid, highlighting the potential of this system as a viable route for hydrogen storage and on-demand hydrogen production.

Graphical Abstract

Production of Hydrogen by catalytic decomposition of formic acid

氢气的无污染燃烧和高能量密度使其成为一种合适的清洁能源载体。然而,它的可持续、安全和高效的生产和运输是限制氢作为能源的实际应用的主要挑战。在本研究中,通过碳载铂(Pt/C)催化分解液氢载体甲酸生成氢气。制备了负载1、4、6、8和10% Pt的不同Pt/C催化剂,并将其用作甲酸分解的催化剂。在温和的条件下(60°C, 0.2 M甲酸,0.04 g催化剂),6% Pt/C是有效的催化剂,在最短的反应时间内获得了最大的产气量。通过测量水驱法产生的气体总量来监测反应的进展。基于Langmuir-Hinshelwood模型的动力学分析显示,表观速率常数为0.2136 min−1,表明有效的表面介导催化。活化能为81.1 kJ/mol。采用x射线衍射(XRD)、x射线光电子能谱(XPS)、能量色散x射线能谱(EDX)和扫描电镜(SEM)对其进行了表征。结果表明,优化后的Pt/C催化剂能够实现甲酸高效、低温制氢,突出了该系统作为储氢和按需制氢可行途径的潜力。图解:甲酸催化分解制氢
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引用次数: 0
Energy-Efficient Microwave-Assisted Benzene Oxidation over MnOx/K-ZSM-5 Zeolite in Intermittent Heating Mode 间歇加热模式下MnOx/K-ZSM-5沸石上高效微波辅助苯氧化
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-07 DOI: 10.1007/s10562-026-05322-7
Liyun Zhang, Hisahiro Einaga

Catalytic oxidation of volatile organic compounds (VOCs) in intermittent heating mode is generally energy efficient. However, the application of intermittent heating, especially with microwave (MW) assistance, remains a severe challenge due to its requirements on the dielectric and VOCs adsorption properties of the catalyst. Here, potassium ion exchanged ZSM-5 (KZ-23) with the best MW heating performance was synthesized and used as the support, and three Mn modified KZ-23 catalysts with different Mn loadings were prepared by a simple impregnation method. 20Mn/KZ-23 (loading 20 wt% Mn) shows excellent catalytic activity in MW-assisted catalytic oxidation of benzene due to its relatively high content of Mn2O3 phase and low average oxidation state of Mn. Moreover, the adsorption capacity of 20Mn/KZ-23 for benzene and its rapid response to MW enables it to exhibit satisfactory performance in intermittent heating mode. The average benzene conversion over the catalyst is 57.1%, while its energy consumption is only 12.3% of that in continuous heating mode with a similar conversion. This work provides a guidance for the rational design of energy-efficient heating modes in MW-assisted VOC catalytic oxidation.

Graphical Abstract

在间歇加热模式下催化氧化挥发性有机化合物(VOCs)通常是节能的。然而,间歇加热,特别是微波辅助加热的应用仍然是一个严峻的挑战,因为它对催化剂的介电和VOCs吸附性能有要求。本文合成了具有最佳MW加热性能的钾离子交换型ZSM-5 (KZ-23)作为载体,并通过简单浸渍法制备了3种不同Mn负载的Mn改性KZ-23催化剂。负载20 wt% Mn的20Mn/KZ-23具有较高的Mn2O3相含量和较低的Mn平均氧化态,在mw催化氧化苯过程中表现出优异的催化活性。此外,20Mn/KZ-23对苯的吸附能力和对MW的快速响应使其在间歇加热模式下表现出令人满意的性能。该催化剂苯的平均转化率为57.1%,能耗仅为同等转化率的连续加热模式的12.3%。本研究为mw辅助VOC催化氧化中节能加热方式的合理设计提供了指导。图形抽象
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引用次数: 0
Molecularly Imprinted-g-C3N5 for Photocatalytic Oxidation of d-glucose 分子印迹g- c3n5光催化氧化d-葡萄糖
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-07 DOI: 10.1007/s10562-026-05348-x
Zhanqiu Tang, Yuqing Fu, Xinyi Feng, Zhenglong Wu, Weidong Qin

Enantioselective catalytic oxidation of d-glucose has been extensively applied in food, pharmaceutical, and chemical industries. In this work, a nitrogen-rich graphitic carbon nitride (g-C3N5) was synthesized through the pyrolysis of 3-amino-1,2,4-triazole. This material exhibited a reduced band gap, enhanced electrical conductivity, and superior photocatalytic performance compared to graphitic C3N4 (g-C3N4), facilitating more efficient photocatalytic oxidation of glucose with higher yield. The surface of g-C3N5 was subsequently capped with a molecularly imprinted polymer (MIP) layer by employing d-glucose as the template molecule, and 4-vinylphenylboronic acid as the functional monomer. The resulting g-C3N5-MIPs demonstrated the ability to selectively photocatalyze the oxidation of d-glucose, producing d-glu acid and H2O2. Notably, the relative selectivity coefficient for d-glucose over l-glucose increased by a factor of 8.79 compared to the non-imprinted g-C3N5. This work presents an effective approach for synthesizing advanced g-C3N5-MIP-based photocatalysts, and highlights their potential for highly enantioselective aerobic oxidation of d-glucose.

Graphical Abstract

d-葡萄糖的对映选择性催化氧化在食品、制药、化工等领域有着广泛的应用。本文通过3-氨基-1,2,4-三唑的热解合成了富氮石墨氮化碳(g-C3N5)。与石墨C3N4 (g-C3N4)相比,该材料具有更小的带隙,增强的导电性和优越的光催化性能,有助于更有效地光催化氧化葡萄糖,收率更高。以d-葡萄糖为模板分子,以4-乙烯基苯硼酸为功能单体,在g-C3N5表面覆盖分子印迹聚合物(MIP)层。结果表明,g-C3N5-MIPs具有选择性光催化d-葡萄糖氧化,产生d-葡萄糖酸和H2O2的能力。值得注意的是,与未印迹的g-C3N5相比,d-葡萄糖相对于l-葡萄糖的选择性系数增加了8.79倍。本研究提出了一种合成先进的基于g- c3n5 - mip的光催化剂的有效方法,并强调了它们在d-葡萄糖的高对映选择性好氧氧化方面的潜力。图形抽象
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引用次数: 0
Efficient Preparation of Black Phosphorus Enabled by Sn24P19.3I8/Graphite Catalyst with Enhanced Thermal Conductivity Sn24P19.3I8/石墨催化剂增强导热性能制备黑磷
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-07 DOI: 10.1007/s10562-026-05342-3
Tun Nile, Hao Sun, Tingting Xu, Yu Yang, Caimei He, Wen Chen, Peichao Lian

The mineralization method boasts advantages including high product purity, controllable crystal structure and good reproducibility, making it a promising approach for the preparation of black phosphorus (BP). However, the employed Sn24P19.3I8 catalyst suffers from pronounced sintering during the preparation process, which severely compromises its catalytic activity and cycle period. The yield (56.0%) was significantly low after two cycles of BP preparation by using Sn24P19.3I8. Herein, intrinsically low thermal conductivity (1.73 W m−1 K−1) was demonstrated to the decreased catalytic performance of Sn24P19.3I8 catalyst. To overcome this issue, graphite was integrated with Sn24P19.3I8 (Sn24P19.3I8/Gra) for improving the thermal conductivity (15.75 W m−1 K−1), which effectively alleviated the issue of local heat accumulation and therefore overcame sintering of Sn24P19.3I8. As expected, an exceptionally high yield of 83.3% was achieved even after nine cycles of BP preparation based on the Sn24P19.3I8/Gra composite catalyst, highlighting the catalytic robustness. This work provided a feasible production of high-quality BP, paving the way for its broad industrial application.

Graphical Abstract

矿化法具有产品纯度高、晶体结构可控、重现性好等优点,是制备黑磷(BP)的一种很有前途的方法。然而,所采用的Sn24P19.3I8催化剂在制备过程中存在明显的烧结现象,严重影响了其催化活性和循环周期。以Sn24P19.3I8为原料制备BP,经过2次循环后,收率较低(56.0%)。本研究表明,Sn24P19.3I8催化剂的本质低导热系数(1.73 W m−1 K−1)导致其催化性能下降。为了克服这一问题,石墨与Sn24P19.3I8 (Sn24P19.3I8/Gra)相结合,提高了导热系数(15.75 W m−1 K−1),有效缓解了局部积热问题,从而克服了Sn24P19.3I8的烧结问题。正如预期的那样,在Sn24P19.3I8/Gra复合催化剂的基础上,经过9次循环制备BP,收率达到了83.3%,突出了催化鲁棒性。为高质量BP的生产提供了可行的方法,为其广泛的工业应用铺平了道路。图形抽象
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引用次数: 0
Construction of Ni-GaOx Sites on Hierarchical Porous SBA-15 Support for Propane Dehydrogenation 分层多孔SBA-15丙烷脱氢载体上Ni-GaOx位点的构建
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-04 DOI: 10.1007/s10562-026-05319-2
Huibo Qin, Zhenkun Zhang, Jian Shen, Zebing Bao, Ziming Huang, Yinjie Liu, Linhai Duan, Xiuhong Meng, Leiming Tao

Propane dehydrogenation (PDH) to propylene is a key industrial process, and the development of high-performance non-precious metal catalysts remains a significant challenge. In this work, hierarchical porous SBA-15 was prepared as a catalyst support, and bimetallic Ni-GaOx species were loaded onto SBA-15 surface via incipient wetness impregnation to fabricate related catalysts. The catalyst structure and PDH performance were systematically investigated using a combination of characterization techniques, with catalytic activity evaluated in a fixed-bed reactor. Results showed that the 20Ni/SBA-15 catalyst (single Ni-loaded) exhibited a propane conversion of ~ 10%, but no propylene was detected due to severe non-selective side reactions. With increasing Ga2O3 content, propylene yield gradually increased, and the 20Ni1Ga2/SBA-15 catalyst achieved an excellent propylene yield with sustained high selectivity. Methane and ethylene were generated as by-products during the reaction. Eventually, thermogravimetric analysis was performed on both fresh and spent catalysts, which confirmed the formation of graphitic coke deposits. This work provides a feasible strategy for designing and optimizing Ni-based catalysts via Ga2O3 modification, which is expected to guide the development of high-selectivity and anti-coking dehydrogenation catalysts.

Graphical Abstract

丙烷脱氢制丙烯是一个重要的工业工艺,高性能非贵金属催化剂的开发一直是一个重大挑战。本研究制备了层叠多孔SBA-15作为催化剂载体,并通过初湿浸渍将双金属Ni-GaOx物质负载在SBA-15表面,制备了相应的催化剂。采用多种表征技术对催化剂结构和PDH性能进行了系统研究,并在固定床反应器中对催化活性进行了评估。结果表明,20Ni/SBA-15催化剂(单ni负载)丙烷转化率约为10%,但由于严重的非选择性副反应,未检测到丙烯。随着Ga2O3含量的增加,丙烯收率逐渐提高,20Ni1Ga2/SBA-15催化剂具有优异的丙烯收率和持续的高选择性。在反应过程中产生甲烷和乙烯作为副产物。最后,对新催化剂和废催化剂进行了热重分析,证实了石墨焦沉积的形成。本研究为通过Ga2O3改性设计和优化ni基催化剂提供了可行的策略,有望指导高选择性和抗焦化脱氢催化剂的开发。图形抽象
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引用次数: 0
Tailoring the Optoelectronics Properties of ZnO Nanostructures Through Metal Doping for Efficient Photocatalysis and Photovoltaic Application 通过金属掺杂调整ZnO纳米结构的光电性能用于高效光催化和光伏应用
IF 2.3 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 DOI: 10.1007/s10562-026-05332-5
Zain ul Abideen, Salma Shad, Muhammad Usman Farooq, Uswa Hassan, Aliya Ibrar, Muzaffar Iqbal

Herein, zirconium-doped ZnO nanostructures were prepared by a hydrothermal approach with different concentrations of dopants (2%, 4%, and 6%). The as-synthesized materials were characterized through UV-Visible spectroscopy, X-ray diffraction (XRD), Photoluminescence (PL) spectroscopy, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and elemental mapping. The UV-Visible results showed that Zr doping enhanced the absorption range due to the introduction of additional Fermi levels above the valence band of pure ZnO, which enabled the absorption of photons with lower energy. The PL study revealed that charge separation efficiency is enhanced, and recombination processes are deterred by doping in pure ZnO. XRD analysis indicated that the synthesized materials possess a high degree of crystallinity, and the successful incorporation of Zr4+ ions onto the ZnO crystal lattice was confirmed. EDX and elemental mapping results indicate the presence of backbone elements (Zn, O, and Zr) and a uniform distribution of elements in the as-synthesized samples. The as-prepared nanostructures were employed as photoanodes in dye-sensitized solar cells (DSSCs) and photocatalytic reduction of salicylic acid in wastewater. Among the samples, the 6% Zr doped ZnO showed excellent performance in both photovoltaic and photocatalytic applications. This high efficiency is attributed to high charge separation efficiency and large light absorption ability. This synthesis approach demonstrated the considerable potential in enhancing both the solar energy conversion efficiency of DSSCs and the photocatalytic potential of pure ZnO nanorods (NRs).

Graphical Abstract

本文采用水热法制备了不同掺杂浓度(2%、4%和6%)的ZnO纳米结构。通过紫外可见光谱、x射线衍射(XRD)、光致发光(PL)光谱、扫描电镜(SEM)、能量色散x射线能谱(EDX)和元素图对合成材料进行了表征。紫外可见结果表明,掺杂Zr提高了吸收范围,这是由于在纯ZnO的价带之上引入了额外的费米能级,使得吸收能量较低的光子成为可能。PL研究表明,在纯ZnO中掺杂可以提高电荷分离效率,并阻止复合过程。XRD分析表明,合成的材料具有较高的结晶度,证实了Zr4+离子在ZnO晶格上的成功结合。EDX和元素映射结果表明,合成样品中存在骨干元素(Zn、O和Zr),且元素分布均匀。所制备的纳米结构被用作染料敏化太阳能电池(DSSCs)的光阳极,并用于废水中水杨酸的光催化还原。其中,6% Zr掺杂ZnO在光伏和光催化应用中均表现出优异的性能。这种高效率归因于高电荷分离效率和大的光吸收能力。这种合成方法在提高DSSCs的太阳能转换效率和纯ZnO纳米棒(NRs)的光催化潜力方面具有相当大的潜力。图形抽象
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引用次数: 0
期刊
Catalysis Letters
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