Molecular Catalysis最新文献

英文中文

Surface reconstruction of Co(OH)2 nanosheets through an in-situ PBA etching and sulfuration strategy for enhanced electrocatalytic oxygen evolution reaction 通过原位 PBA 刻蚀和硫化策略重构 Co(OH)2 纳米片表面，以增强电催化氧进化反应

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114709

Changhong Diao, Xin Chang, Xinyao Ding, Ruibai Cang, Mingyi Zhang

Designing an electrocatalyst for the oxygen evolution reaction (OER) that combines high activity with exceptional stability is a pivotal advancement in sustainable water splitting technology, heralding a novel approach to produce clean, high-purity hydrogen. This paper introduces an innovative strategy centered on the construction of a three-dimensional heterostructure supported on carbon cloth, specifically Fe–CoS₂/Co(OH)₂/CC. This meticulous strategy begins with the meticulous treatment of Co(OH)₂ nanosheets, cleverly inducing the formation of Prussian blue-like compounds through in-situ etching techniques. Subsequently, a direct sulfuration treatment is employed, resulting in a delicate reconstruction of the Co(OH)₂ nanosheet surface, ultimately yielding a unique Fe–CoS₂/Co(OH)₂/CC heterostructure. This composite material exhibits remarkable low overpotential performance, achieving an impressive 235 mV at a current density of 10 mA cm^–2, which is comparable to that of established catalysts such as Ruthenium dioxide (RuO₂). The exceptional catalytic activity of Fe–CoS₂/Co(OH)₂/CC is primarily attributed to its unique 3D structure, crafted through the in-situ growth of Prussian blue analogs (PBAs). This structure not only ensures uniform iron doping but also significantly enhances the material's stability and reactivity. Furthermore, the high conductivity of the self-supported carbon cloth electrode facilitates rapid electron transport, further augmenting the overall catalytic efficiency.

设计一种兼具高活性和优异稳定性的氧进化反应（OER）电催化剂是可持续水分离技术的关键进步，它预示着一种生产清洁、高纯度氢气的新方法。本文介绍了一种创新战略，其核心是在碳布（特别是 Fe-CoS2/Co(OH)2/CC）上构建三维异质结构。这一缜密的策略首先是对 Co(OH)2 纳米片进行精细处理，通过原位蚀刻技术巧妙地诱导普鲁士蓝类化合物的形成。随后，采用直接硫化处理，对 Co（OH）2 纳米片表面进行精细的重构，最终形成独特的 Fe-CoS2/Co(OH)2/CC 异质结构。这种复合材料具有显著的低过电位性能，在 10 mA cm-2 的电流密度下可达到惊人的 235 mV，与二氧化钌（RuO2）等成熟催化剂的过电位性能相当。Fe-CoS2/Co(OH)2/CC 的卓越催化活性主要归功于其独特的三维结构，这种结构是通过普鲁士蓝类似物（PBA）的原位生长制作而成的。这种结构不仅确保了铁的均匀掺杂，还大大提高了材料的稳定性和反应活性。此外，自支撑碳布电极的高导电性还有利于电子的快速传输，进一步提高了整体催化效率。

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引用次数: 0

1D-2D Z-scheme junction by coupling CaTiO3 rectangular nanorods with CdS nanosheets enhances photocatalytic hydrogen evolution 通过耦合 CaTiO3 矩形纳米棒和 CdS 纳米片实现的 1D-2D Z 型结可增强光催化氢气进化能力

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114701

Wuxia Zhang , Jinyan Xiong , Shaozhong Li , Wei Li

Designing and developing Z-scheme photocatalytic system for highly efficient hydrogen production through water splitting is a prospective strategy to alleviate energy and environmental issues. Herein, CaTiO₃/CdS nanocomposites have been synthesized by a simple solvothermal method, in which CaTiO₃ and CdS present rectangular nanorods and nanosheet-like morphologies, respectively. The optimized 60%-CaTiO₃/CdS composite exhibits a remarkable photocatalytic performance with H₂ evolution rate of ∼12,381.80 μmol·g^-1·h^-1, and it is 1.9 and 124 times higher than that of single CdS and CaTiO₃, respectively. Photoluminescence (PL), photocurrent, and electrochemical impedance measurements confirm boosted interfacial charge separation within CaTiO₃/CdS photocatalyst. Notably, as verified by the band structures, XPS analysis and fluorescence probe experiments, the intimate Z-scheme heterojunction interface constructed between two components plays a critical role in promoting the separation of photogenerated e^-/h⁺ pairs and retaining superior redox capabilities, thus leading to enhanced H₂ evolution performance. Moreover, this synthetic method could be applied to other MTiO₃ (M = Sr and Ni) type semiconductors in accelerating the photocatalytic H₂ production. It is anticipated this work could offer a reference for rationally designing and constructing perovskite-based composite catalysts with improved solar-to-hydrogen conversion.

设计和开发 Z 型光催化系统，通过分水实现高效制氢，是缓解能源和环境问题的一项前瞻性战略。本文采用简单的溶热法合成了 CaTiO3/CdS 纳米复合材料，其中 CaTiO3 和 CdS 分别呈现矩形纳米棒和纳米片状形态。优化后的 60%-CaTiO3/CdS 复合材料具有显著的光催化性能，其 H2 演化率为 ∼12,381.80 μmol-g-1-h-1，分别是单一 CdS 和 CaTiO3 的 1.9 倍和 124 倍。光致发光（PL）、光电流和电化学阻抗测量证实，CaTiO3/CdS 光催化剂内部的界面电荷分离得到了加强。值得注意的是，正如能带结构、XPS 分析和荧光探针实验所验证的那样，两种成分之间构建的亲密 Z 型异质结界面在促进光生 e-/h+ 对的分离和保持优异的氧化还原能力方面发挥了关键作用，从而提高了 H2 的演化性能。此外，这种合成方法还可应用于其他 MTiO3（M = Sr 和 Ni）型半导体，以加速光催化产生 H2。预计这项工作将为合理设计和构建具有更高的太阳能-氢气转化率的基于包晶石的复合催化剂提供参考。

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引用次数: 0

Oxidative coupling of methane and oxidative dehydrogenation of ethane reactions over La-based monoclinic layered perovskite and double perovskite La 基单斜层状包晶石和双包晶石上的甲烷氧化偶联反应和乙烷氧化脱氢反应

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114702

Junwei Xu , Rumeng Ouyang , Jieqi Zhou , Xiaomei Yu , Xiuzhong Fang , Jiating Shen , Xiang Wang

Herein, we partially doped the A-site or B-site cations of the monoclinic layered perovskite La₂Ti₂O₇ with alkali metal ions (Na⁺ and K⁺) and alkaline earth metal ions Mg²⁺ to form double perovskites (NaLaTi₂O₆, KLaTi₂O₆, and LaTiMgO₆) for the oxidative coupling of methane (OCM) and oxidative dehydrogenation of ethane (ODHE), demonstrating that the compatibility between the radii of the heterovalent doping ions and the radii of the host perovskite A-site and B-site cations is an important factor affecting their reaction performance. Doping with heterovalent ions changes the crystal symmetry and structure of the host perovskite La₂Ti₂O₇, and when the radius of the doping ion is closer to that of the host A- or B-site ion, more oxygen vacancies can be generated and more chemisorbed oxygen species can form. The oxygen vacancies are closely related to the moderate basic sites, and the reactive oxygen species in OCM and ODHE are O₂^δ- and O₂⁻. Doping with B-site cations is more beneficial for improving the reaction performance than doping with A-site cations. This is attributed to the covalent property of the B-O bond in perovskite, as doping with B-site cations can weaken the covalent bond, thereby facilitating the formation of oxygen vacancies. Moreover, the additional chemisorbed oxygen generated by oxygen vacancies resulting from high-temperature crystal phase transitions/lattice distortions in perovskite can further enhance reaction performance.

在此，我们在单斜层状包晶石 La2Ti2O7 的 A 位或 B 位阳离子中部分掺入碱金属离子（Na+ 和 K+）和碱土金属离子 Mg2+，形成双包晶石（NaLaTi2O6、KLaTi2O6、和 LaTiMgO6），用于甲烷氧化偶联（OCM）和乙烷氧化脱氢（ODHE），这表明异价掺杂离子的半径与宿主包晶 A 位和 B 位阳离子的半径之间的相容性是影响其反应性能的重要因素。掺杂异价离子会改变宿主包晶 La2Ti2O7 的晶体对称性和结构，当掺杂离子的半径与宿主 A 位或 B 位离子的半径更接近时，就会产生更多的氧空位，形成更多的化学吸附氧物种。氧空位与适度碱性位点密切相关，OCM 和 ODHE 中的活性氧种类为 O2δ- 和 O2-。掺杂 B 位阳离子比掺杂 A 位阳离子更有利于提高反应性能。这归因于包晶石中 B-O 键的共价特性，因为掺入 B 位阳离子会削弱共价键，从而促进氧空位的形成。此外，氧空位在高温晶体相变/晶格畸变过程中产生的额外化学吸附氧还能进一步提高反应性能。

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引用次数: 0

Synergistic effect of Cu and Mo over Cu–Mo–SiO2 catalyst prepared by sol-gel method for high-efficient and stable de-methoxylation of lignin-derived 4-propylguaiacol 溶胶-凝胶法制备的 Cu-Mo-SiO2 催化剂上 Cu 和 Mo 的协同效应用于木质素衍生的 4-丙基愈创木酚的高效稳定脱甲氧基化反应

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114697

Hexuan Zhang , Qi Zeng , Song Song , Wuyu Zhao , Xingang Li

Mo-based catalysts are promising candidates for the de-methoxylation reaction in lignin valorization due to their unique behavior toward the cleavage of C–O bonds. However, the catalytic activities of Mo-based catalysts currently are still unsatisfactory and suffer from severe deactivation. Herein, we report a novel approach for the construction of robust Cu-modified Mo–SiO₂ catalysts by sol-gel method through the synergistic effect of Cu and Mo, among which 0.33Cu–Mo–SiO₂-580 with a Cu/Mo molar ratio of 0.33 exhibited the best catalytic performance for the de-methoxylation of lignin-derived 4-propylguaiacol. Remarkably, the space time yield of 4-propylphenol is among the highest value in literature data. The detailed characterizations confirm that the introduction of Cu by sol-gel method leads to the formation of highly dispersed CuMoO₄ on the as-calcined samples, which results in the enhanced interaction between Cu and Mo species and the formation of a large amount of electron-deficient Mo⁰ on the as-reduced catalyst. Mechanistic studies reveal that electron-deficient Mo⁰ on 0.33Cu–Mo–SiO₂-580 will not only enhance the adsorption ability of substrate, but also improve the C–O bond cleavage ability for the de-methoxylation reaction. Meanwhile, the hydrogen spillover effect induced by Cu⁰ is beneficial to the enhancement of the catalytic activity and stability of 0.33Cu–Mo–SiO₂-580 catalyst.

由于钼基催化剂在 C-O 键裂解方面具有独特的行为，因此是木质素价值化过程中脱甲氧基反应的理想候选催化剂。然而，目前 Mo 基催化剂的催化活性仍不尽人意，存在严重的失活现象。在此，我们报告了一种新方法，即通过 Cu 和 Mo 的协同作用，利用溶胶-凝胶法构建稳健的 Cu 改性 Mo-SiO2 催化剂，其中 Cu/Mo 摩尔比为 0.33 的 0.33Cu-Mo-SiO2-580 在木质素衍生的 4-丙基愈创木酚的脱甲氧基反应中表现出最佳催化性能。值得注意的是，4-丙基苯酚的时空产率是文献数据中最高的。详细的表征结果证实，通过溶胶-凝胶法引入 Cu 后，在煅烧样品上形成了高度分散的 CuMoO4，从而增强了 Cu 和 Mo 物种之间的相互作用，并在还原催化剂上形成了大量的缺电子 Mo0。机理研究表明，0.33Cu-Mo-SiO2-580 上的缺电子 Mo0 不仅能增强对底物的吸附能力，还能提高脱甲氧基反应中 C-O 键的裂解能力。同时，Cu0 诱导的氢溢出效应有利于提高 0.33Cu-Mo-SiO2-580 催化剂的催化活性和稳定性。

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引用次数: 0

An efficient Ni-Mg/HNTs catalyst for CO2 methanation prepared by sol-gel method assisted with citric acid 用柠檬酸辅助溶胶-凝胶法制备的高效 Ni-Mg/HNTs CO2 甲烷化催化剂

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114696

Dandan Yang , Fan Xu , Daoming Jin , Xin Meng , Ailun Lv , Wenhua Dai , Rui Zhao , Zhong Xin

Developing a stable and effective Ni-based catalyst for low-temperature CO₂ methanation remains a significant challenge. This study presents the synthesis of a range of MgO-promoted Ni-based catalysts supported on natural halloysite nanotubes (HNTs) through a sol-gel method assisted by citric acid. At 275°C, Ni-Mg/HNTs-1.0 CA exhibits the highest CO₂ conversion (88.5%) and CH₄ selectivity (98.4%). The sufficient basic sites and Ni⁰ sites of Ni-Mg/HNTs-1.0CA are beneficial for CO₂ activation and H₂ dissociation, leading to high activity at low temperatures. Additionally, Ni-Mg/HNTs-1.0 CA exhibits better anti-sintering ability during 100 h reaction, attributed to the increased interaction between metal and support. The in-situ DRIFTS results show that Ni-Mg/HNTs-1.0 CA mainly follows both formate and CO pathways, and the rapid transformation of intermediates causes superior catalytic performance. This work offers a rational design of stable and active catalysts for low-temperature CO₂ methanation.

为低温二氧化碳甲烷化开发稳定有效的镍基催化剂仍然是一项重大挑战。本研究通过柠檬酸辅助溶胶-凝胶法，合成了一系列以天然海泡石纳米管（HNTs）为支撑的氧化镁促进镍基催化剂。275°C 时，Ni-Mg/HNTs-1.0 CA 的二氧化碳转化率（88.5%）和甲烷选择性（98.4%）最高。Ni-Mg/HNTs-1.0 CA 具有充足的碱性位点和 Ni0 位点，有利于 CO2 活化和 H2 解离，从而在低温下具有高活性。此外，Ni-Mg/HNTs-1.0 CA 在 100 小时的反应过程中表现出更好的抗烧结能力，这归因于金属与支撑物之间相互作用的增强。原位 DRIFTS 结果表明，Ni-Mg/HNTs-1.0 CA 主要遵循甲酸酯和 CO 两种途径，中间产物的快速转化使其具有优异的催化性能。这项工作为低温 CO2 甲烷化提供了稳定、活性催化剂的合理设计。

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引用次数: 0

CoS2/MoS2 heterojunction for photo-enhanced electrocatalytic hydrogen evolution reaction 用于光催化氢气进化反应的 CoS2/MoS2 异质结

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114654

Yan-Bo Cao , Yan-Peng Ye , Wei-wei Dong , Zhi-biao Li , Yi Ding , Wei-li Kong , Xi Wang

Hydrogen, a new energy source that emits no carbon and has a high energy content, has recently attracted significant attention. The CoS₂/MoS₂ catalyst was produced using a one-step hydrothermal synthesis process. With a current density of 10 mA cm⁻², the CoS₂/MoS₂ catalyst shows an overpotential of 116.8 mV for the HER under the 300 W Xe lamp's solar simulation, a 23 % improvement over the dark condition. Both the properly prohibited bandwidths of CoS₂ and MoS₂, which promote the creation of photogenerated carriers and the existence of a p-n junction between them, are responsible for improving the photo-enhanced HER performance. The photoinduced electro-hole pairs' separation is improved by this p-n junction, reducing their likelihood of recombination and thereby enhancing the electrocatalytic ability of the system. This work demonstrates the possibility of photoelectric synergistic enhancement of the electrocatalytic performance of transition metal sulfides.

氢气是一种不排放碳且能量含量高的新能源，近来备受关注。CoS2/MoS2 催化剂采用一步水热合成工艺制成。在 10 mA cm-2 的电流密度下，CoS2/MoS2 催化剂在 300 W Xe 灯的太阳模拟下的 HER 过电位为 116.8 mV，比黑暗条件下提高了 23%。CoS2 和 MoS2 适当的禁止带宽促进了光生载流子的产生，而它们之间存在的 p-n 结也是提高光增强 HER 性能的原因。这种 p-n 结改善了光诱导电洞对的分离，降低了它们重组的可能性，从而提高了系统的电催化能力。这项工作证明了光电协同增强过渡金属硫化物电催化性能的可能性。

引用次数: 0

Hemoglobin: An efficient oxidase for the green synthesis of quinazoline derivatives by biocatalytic domino strategy 血红蛋白：通过生物催化多米诺策略绿色合成喹唑啉衍生物的高效氧化酶

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114680

Shenhan Xie , Chenyi Zhang , Yihang Dai , Fengxi Li , Lei Wang , Peng Chen , Zhi Wang

In this study, hemoglobin was employed as an effective oxidase for the green synthesis of quinazoline derivatives by facilitating the biocatalytic domino reaction. This reaction exhibits a broad substrate scope and shows excellent compatibility with a variety of functional groups. Furthermore, the desired products were achieved with high yields under the established conditions.

本研究利用血红蛋白作为一种有效的氧化酶，通过促进生物催化多米诺反应，绿色合成喹唑啉衍生物。该反应具有广泛的底物范围，并与多种官能团具有良好的兼容性。此外，在既定条件下，还能以高产率获得所需的产物。

引用次数: 0

The effect of Zn:Ti ratios on PdZn/ZnO−TiO2 catalysts for CO2 hydrogenation to methanol Zn:Ti 比率对二氧化碳加氢制甲醇的 PdZn/ZnO-TiO2 催化剂的影响

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114703

Athirah Ayub, Abdul Hanif Mahadi, Mohammd Ammar Syaahiran Alim, Hasliza Bahruji

Porous ZnO−TiO₂ synthesized using different Zn and Ti ratios (Zn:Ti = 0.5, 1, 2) is investigated as PdZn alloy support to optimize methanol production from CO₂ hydrogenation. XRD, Raman, and XPS analyses reveal that varying Zn ratios influence crystal structure, oxygen vacancies, surface area and ZnTiO₃ phases. The partial transformation into ZnTiO₃ occurs on the PdZn perimeter, forming strong interfacial interaction with the PdZn alloy. Higher Zn content promotes hexagonal ZnTiO₃, while lower ratios favor cubic ZnTiO₃, which leads to higher oxygen vacancy formation. High methanol selectivity was obtained below 250 °C with optimum productivity at ∼1326.8 mmolkg_cat^-1h^-1. CO is the main product at temperatures above 250 °C, while methane and C₂₊hydrocarbons from the C − C coupling reaction occur at 450 °C. In-situ DRIFTS analysis provides insight into the reaction mechanism that requires stabilization of formate *HCOO and formyl species, *HCO, for hydrogenation to methanol.

研究人员使用不同的 Zn 和 Ti 比例（Zn:Ti = 0.5、1、2）合成多孔 ZnO-TiO2 作为 PdZn 合金支撑，以优化二氧化碳加氢制取甲醇的过程。XRD、拉曼和 XPS 分析表明，不同的 Zn 比例会影响晶体结构、氧空位、表面积和 ZnTiO3 相。ZnTiO3 的部分转变发生在 PdZn 周边，与 PdZn 合金形成强烈的界面相互作用。较高的 Zn 含量会促进六方 ZnTiO3 的形成，而较低的比例则有利于立方 ZnTiO3 的形成，从而导致较高的氧空位形成。在低于 250 °C 的温度下，甲醇的选择性很高，最佳生产率为 ∼1326.8 mmolkgcat-1h-1。二氧化碳是 250 ℃ 以上温度下的主要产物，而甲烷和 C - C 偶联反应产生的 C2+ 碳氢化合物则出现在 450 ℃ 时。原位 DRIFTS 分析深入揭示了反应机理，即甲酸*HCOO 和甲酰基*HCO 需要稳定才能加氢生成甲醇。

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引用次数: 0

Visible-light-induced three component difluoromethylation cyclization carbo-thioesterification to CF2-Containing γ-Lactams 可见光诱导三组分二氟甲基化环化羧基硫代酯化生成含 CF2 的 γ-内酰胺

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114685

Dan Shao , Tingting Yu , Lianglong Sun , Zongfei Sun , Xiaorui Zhou , Chunyang Liu , Xuebo Chen , Xin Wang , Kai Sun

A facile visible-light-induced photocatalytic cascade difluoromethylation cyclization of bromodifluoroacetamides and subsequent carbo-thioesterification is described. This protocol allows efficient access to a variety of valuable CF₂-containing γ-lactams in moderate to excellent yields under mild conditions. Detailed mechanism study suggest that a radical pathway is involved in the catalytic cycle.

本文介绍了一种简便的可见光诱导光催化级联二氟甲基化溴二氟乙酰胺环化反应及随后的羧基硫代酯化反应。该方法可以在温和的条件下高效地获得各种有价值的含 CF2 的 γ-内酰胺，产率从中等到极好。详细的机理研究表明，催化循环中涉及到自由基途径。

引用次数: 0

Different surfaces of copper with single-atom doping for hydrogen evolution reaction in alkaline conditions 单原子掺杂铜的不同表面在碱性条件下的氢进化反应

IF 3.9 2区化学 Q2 CHEMISTRY, PHYSICAL

Molecular Catalysis

Pub Date : 2024-11-21 DOI: 10.1016/j.mcat.2024.114699

Manman Liu , Xiaofeng Fan , Xiaoqiang Cui , David J. Singh , Weitao Zheng

The advantages of Cu-based materials make it a potential catalyst for alkaline hydrogen production reactions (HER), but the inertness of pure Cu restricts its application. Thus, it is very meaningful to seek strategies to improve the catalytic activity. In this work, we designed the 15 modified Cu surface models by integrating single atom doping with surface engineering to be used to explore the catalytic activity of Cu surfaces in alkaline HER and the mechanism of effective adsorption and dissociation of water. The results indicated that the combination of surface engineering with single-atom doping can greatly activate the electro-catalysis activity of copper surface. All these 15 catalysts can effectively achieve hydrogen evolution in alkaline conditions, among which the H₂O dissociation energy barriers of Cu(210)-Os and Cu(210)-Ru are just 0.47 eV and 0.60 eV, which are much lower than that of pure Pt(111). Thus, it is expected that Cu(210) doped with proper noble metal elements is an ultra-low-cost and ultra1-high-performance catalyst for alkaline HER. Meanwhile, Os and Ru-doped Cu(110) and Cu(211) surfaces also demonstrate remarkable alkaline HER activity compared with the metal catalysts that have been reported hitherto. These offer a novel concept and theoretical guidance to design cheaper and more efficient HER catalysts.

铜基材料的优点使其成为碱性制氢反应（HER）的潜在催化剂，但纯铜的惰性限制了其应用。因此，寻求提高催化活性的策略是非常有意义的。在这项工作中，我们通过单原子掺杂与表面工程相结合的方法，设计了 15 种修饰的铜表面模型，用于探索铜表面在碱性制氢反应中的催化活性以及有效吸附和解离水的机理。结果表明，将表面工程与单原子掺杂相结合能极大地激活铜表面的电催化活性。这 15 种催化剂都能在碱性条件下有效实现氢气进化，其中 Cu(210)-Os 和 Cu(210)-Ru 的 H2O 离解能垒仅为 0.47 eV 和 0.60 eV，远低于纯 Pt(111)。因此，掺杂适当贵金属元素的 Cu(210) 可望成为一种超低成本、超高性能的碱性 HER 催化剂。同时，与迄今为止报道的金属催化剂相比，掺杂 Os 和 Ru 的 Cu(110) 和 Cu(211) 表面也表现出显著的碱性 HER 活性。这些都为设计更廉价、更高效的 HER 催化剂提供了新的概念和理论指导。

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引用次数: 0

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