通过溢出效应在钯纳米粒子装饰的 UiO-66-NH2 中吸附室温氢气

IF 4.1 2区材料科学 Q2 ENGINEERING, CHEMICAL Particuology Pub Date : 2024-07-23 DOI:10.1016/j.partic.2024.07.008

Jingchuan Wang, Junhong Luo, Yong Yao, Jiangfeng Song, Yan Shi

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引用次数: 0

摘要

为改善室温储氢，创新性地将纳米钯（Pd）粒子通过碳桥装饰到具有氨基功能的对苯二甲酸锌金属有机框架（MOF）UiO-66 上，以降低扩散能垒，进而改善氢溢出效应。粉末 X 射线衍射显示出宽阔的钯峰，并保留了钯装饰后 UiO-66-NH 的完整性。氢吸收能力表明，与 UiO-66-NH 和原始 UiO-66 相比，UiO-66-NH-Pd 具有最佳的储氢性能。在室温 20 兆帕下，钯装饰 UiO-66（UiO-66-NH-1Pd）的氢吸收率接近 4 wt%。密度泛函理论（DFT）计算表明，UiO-66-NH-Pd 的氢吸附能为 -0.5897 eV，远低于 UiO-66-NH 的 -0.3716 eV 和 UiO-66 的 -0.2975 eV。最终，Pd 修饰 NH 基团的 UiO-66 能够在环境条件下通过氢溢出提高存储容量，从而满足对可持续能源的需求，尤其是对长期存储能源介质的需求。

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Room-temperature hydrogen adsorption in Pd nanoparticle decorated UiO-66-NH2 via spillover

To improve room-temperature hydrogen storage, palladium (Pd) nanoparticles were innovatively decorated by carbon bridge onto the amino-group functioned Zr-terephthalate metal-organic framework (MOF) UiO-66 to reduce the diffusion energy barrier and then improve the hydrogen spillover effect. Powder X-ray diffraction shows broad Pd peak and retained UiO-66-NH₂ integrity after Pd decoration. The hydrogen uptake capacity show that UiO-66-NH₂-Pd exhibits best hydrogen storage performance than UiO-66-NH₂ and pristine UiO-66. The hydrogen up taken in Pd decorated UiO-66 (UiO-66-NH₂-1Pd) was close to 4 wt% under 20 MPa at room temperature. Density functional theory (DFT) calculations show that hydrogen adsorption energy of UiO-66-NH₂-Pd was −0.5897 eV, which was much lower than that of UiO-66-NH₂ (−0.3716 eV) and UiO-66 (−0.2975 eV). Ultimately, Pd decorated NH₂ group functioned UiO-66 enable improve storage capacities through hydrogen spillover under ambient conditions which could satisfy the demand for sustainable energy, especially for the long-term storage energy media.

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来源期刊

Particuology 工程技术-材料科学：综合

CiteScore

6.70

自引率

2.90%

发文量

1730

审稿时长

32 days

期刊介绍： The word ‘particuology’ was coined to parallel the discipline for the science and technology of particles. Particuology is an interdisciplinary journal that publishes frontier research articles and critical reviews on the discovery, formulation and engineering of particulate materials, processes and systems. It especially welcomes contributions utilising advanced theoretical, modelling and measurement methods to enable the discovery and creation of new particulate materials, and the manufacturing of functional particulate-based products, such as sensors. Papers are handled by Thematic Editors who oversee contributions from specific subject fields. These fields are classified into: Particle Synthesis and Modification; Particle Characterization and Measurement; Granular Systems and Bulk Solids Technology; Fluidization and Particle-Fluid Systems; Aerosols; and Applications of Particle Technology. Key topics concerning the creation and processing of particulates include: -Modelling and simulation of particle formation, collective behaviour of particles and systems for particle production over a broad spectrum of length scales -Mining of experimental data for particle synthesis and surface properties to facilitate the creation of new materials and processes -Particle design and preparation including controlled response and sensing functionalities in formation, delivery systems and biological systems, etc. -Experimental and computational methods for visualization and analysis of particulate system. These topics are broadly relevant to the production of materials, pharmaceuticals and food, and to the conversion of energy resources to fuels and protection of the environment.