过渡金属在 MgAl 表面吸附氢气对燃料电池储能的影响

IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
F. Mollaamin, S. Shahriari, M. Monajjemi
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引用次数: 0

摘要

摘要 本文研究了金属间镁铝的特性以及通过掺杂过渡金属(包括镍、钯、铂、铜、银和金)在燃料电池中储氢的可能性。研究强调了金属与镁/铝原子界面上的电双层及其与氢分子相互作用产生初始静电吸附的重要性。分子储能的重要步骤是产生物理屏障,即分子的物理吸附屏障阻止金属表面附近的移动,或降低金属的反应性,即化学吸附的氢分子粘附在金属表面的活性区域。投影状态密度还可以估算出(镍、钯、铂、铜、银、金)和 MgAl 表面之间的电荷组合,这表明在吸附 H2 的过程中,金属特征的复杂性占主导地位,以及过渡金属和 MgAl 表面之间共价性状的确切程度。在核磁共振波谱中,通过在 MgAl 纳米合金中掺杂 Ni、Pd、Pt、Cu、Ag、Au 等金属元素,观察到了围绕这些金属元素的显著峰值,但各向同性和各向异性属性的化学屏蔽行为存在一些波动。此外,所有计算出的(△ G_{{text/{dop}}}}^{o}/)量都非常接近,这表明所有方法的测量指标都是一致的,计算值也是可靠的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Influence of Transition Metals for Emergence of Energy Storage in Fuel Cells through Hydrogen Adsorption on the MgAl Surface

Influence of Transition Metals for Emergence of Energy Storage in Fuel Cells through Hydrogen Adsorption on the MgAl Surface

Influence of Transition Metals for Emergence of Energy Storage in Fuel Cells through Hydrogen Adsorption on the MgAl Surface

In this article, the characterization of intermetallic MgAl and the possibility for hydrogen storage in the fuel cells through doping with transition metals including Ni, Pd, Pt, Cu, Ag and Au have been investigated. The importance of the electrical double layer at the interface between a metal and Mg/Al atoms together with its interaction with hydrogen molecule to produce initially electrostatic adsorption are highlighted. The important step in which molecules enable energy storage is production of a physical barrier where a physical adsorbed barrier of molecules prevent movement near the metal surface or decrease in metal reactivity where chemisorbed hydrogen molecule stick to active area on the metal surface. The projected density of state can also estimate a certain charge assembly between (Ni, Pd, Pt, Cu, Ag, Au) and MgAl surface which indicate the complex dominant of metallic features and an exact degree of covalent traits between transitions metals and MgAl surface during H2 adsorption. In the nuclear magnetic resonance spectroscopy, it has been observed the remarkable peaks around metal elements of Ni, Pd, Pt, Cu, Ag, Au through the doping on the MgAl nanoalloy, however there are some fluctuations in the chemical shielding behaviors of isotropic and anisotropy attributes. Furthermore, all accounted \(\Delta G_{{{\text{dop}}}}^{o}\) amounts are very close, which demonstrate the agreement of the measured specifications by all methodologies and the reliability of the computing values.

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来源期刊
Russian Journal of Physical Chemistry B
Russian Journal of Physical Chemistry B 化学-物理:原子、分子和化学物理
CiteScore
2.20
自引率
71.40%
发文量
106
审稿时长
4-8 weeks
期刊介绍: Russian Journal of Physical Chemistry B: Focus on Physics is a journal that publishes studies in the following areas: elementary physical and chemical processes; structure of chemical compounds, reactivity, effect of external field and environment on chemical transformations; molecular dynamics and molecular organization; dynamics and kinetics of photoand radiation-induced processes; mechanism of chemical reactions in gas and condensed phases and at interfaces; chain and thermal processes of ignition, combustion and detonation in gases, two-phase and condensed systems; shock waves; new physical methods of examining chemical reactions; and biological processes in chemical physics.
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