{"title":"过渡金属在 MgAl 表面吸附氢气对燃料电池储能的影响","authors":"F. Mollaamin, S. Shahriari, M. Monajjemi","doi":"10.1134/S199079312402026X","DOIUrl":null,"url":null,"abstract":"<p>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 H<sub>2</sub> 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 <span>\\(\\Delta G_{{{\\text{dop}}}}^{o}\\)</span> amounts are very close, which demonstrate the agreement of the measured specifications by all methodologies and the reliability of the computing values.</p>","PeriodicalId":768,"journal":{"name":"Russian Journal of Physical Chemistry B","volume":null,"pages":null},"PeriodicalIF":1.4000,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Influence of Transition Metals for Emergence of Energy Storage in Fuel Cells through Hydrogen Adsorption on the MgAl Surface\",\"authors\":\"F. Mollaamin, S. Shahriari, M. Monajjemi\",\"doi\":\"10.1134/S199079312402026X\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>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 H<sub>2</sub> 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 <span>\\\\(\\\\Delta G_{{{\\\\text{dop}}}}^{o}\\\\)</span> amounts are very close, which demonstrate the agreement of the measured specifications by all methodologies and the reliability of the computing values.</p>\",\"PeriodicalId\":768,\"journal\":{\"name\":\"Russian Journal of Physical Chemistry B\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2024-05-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Russian Journal of Physical Chemistry B\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S199079312402026X\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Journal of Physical Chemistry B","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S199079312402026X","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
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.
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.