Effect of lattice defects on hydrogen storage properties of HfNbTiZr medium entropy alloy

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy Pub Date : 2025-07-09 DOI:10.1016/j.ijhydene.2025.150292

Tatsuya Ueda , Shuhei Yoshida , Shivam Dangwal , Łukasz Gondek , Kazuhiro Fukami , Ludmila Kučerová , Karel Saksl , Kaveh Edalati , Nobuhiro Tsuji

{"title":"Effect of lattice defects on hydrogen storage properties of HfNbTiZr medium entropy alloy","authors":"Tatsuya Ueda , Shuhei Yoshida , Shivam Dangwal , Łukasz Gondek , Kazuhiro Fukami , Ludmila Kučerová , Karel Saksl , Kaveh Edalati , Nobuhiro Tsuji","doi":"10.1016/j.ijhydene.2025.150292","DOIUrl":null,"url":null,"abstract":"<div><div>Hydrogenation/dehydrogenation behavior of a model HfNbTiZr medium entropy alloy (MEA) was systematically investigated to elucidate the effect of lattice defects on hydrogen storage properties. The densities of grain boundaries and dislocations in the MEA were precisely tailored through deformation and annealing processes. Electrochemical hydrogen charging followed by thermal desorption spectroscopy was employed to assess hydrogenation/dehydrogenation behavior. The specimen ultrahigh-strained by high-pressure torsion (HPT) exhibited superior hydrogenation kinetics. Cold rolled specimens displayed fast kinetics in the initial stage of hydrogenation. While annealed (fully recrystallized) specimens showed enhanced kinetics in the later stage, eventually reaching hydrogen content comparable to the HPT-processed specimen. Dehydrogenation kinetics were analyzed using the Kissinger model to extract hydrogen binding energies with different types of lattice defects. The results indicate that dislocations and vacancies act as isolated strong hydrogen trapping sites, whereas grain boundaries facilitate hydrogen transport during hydrogenation/dehydrogenation owing to their larger free volumes and interconnected nature.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"155 ","pages":"Article 150292"},"PeriodicalIF":8.3000,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Hydrogen Energy","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0360319925032902","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

Abstract

Hydrogenation/dehydrogenation behavior of a model HfNbTiZr medium entropy alloy (MEA) was systematically investigated to elucidate the effect of lattice defects on hydrogen storage properties. The densities of grain boundaries and dislocations in the MEA were precisely tailored through deformation and annealing processes. Electrochemical hydrogen charging followed by thermal desorption spectroscopy was employed to assess hydrogenation/dehydrogenation behavior. The specimen ultrahigh-strained by high-pressure torsion (HPT) exhibited superior hydrogenation kinetics. Cold rolled specimens displayed fast kinetics in the initial stage of hydrogenation. While annealed (fully recrystallized) specimens showed enhanced kinetics in the later stage, eventually reaching hydrogen content comparable to the HPT-processed specimen. Dehydrogenation kinetics were analyzed using the Kissinger model to extract hydrogen binding energies with different types of lattice defects. The results indicate that dislocations and vacancies act as isolated strong hydrogen trapping sites, whereas grain boundaries facilitate hydrogen transport during hydrogenation/dehydrogenation owing to their larger free volumes and interconnected nature.

查看原文本刊更多论文

晶格缺陷对HfNbTiZr中熵合金储氢性能的影响

系统地研究了HfNbTiZr介质熵合金（MEA）模型的加氢/脱氢行为，以阐明晶格缺陷对储氢性能的影响。通过变形和退火工艺，精确地定制了MEA中的晶界密度和位错。采用电化学充氢和热脱附光谱法评价其加氢/脱氢行为。高压扭转超高应变（HPT）试样表现出优异的氢化动力学。冷轧试样在氢化初期表现出快速的反应动力学。而退火（完全再结晶）试样在后期表现出增强的动力学，最终达到与hpt处理试样相当的氢含量。采用Kissinger模型分析脱氢动力学，提取不同晶格缺陷类型下的氢结合能。结果表明，位错和空位是孤立的强氢捕获位点，而晶界由于其较大的自由体积和相互连接的性质，有利于氢在加氢/脱氢过程中的输运。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

International Journal of Hydrogen Energy 工程技术-环境科学

CiteScore

13.50

自引率

25.00%

发文量

3502

审稿时长

60 days

期刊介绍： The objective of the International Journal of Hydrogen Energy is to facilitate the exchange of new ideas, technological advancements, and research findings in the field of Hydrogen Energy among scientists and engineers worldwide. This journal showcases original research, both analytical and experimental, covering various aspects of Hydrogen Energy. These include production, storage, transmission, utilization, enabling technologies, environmental impact, economic considerations, and global perspectives on hydrogen and its carriers such as NH3, CH4, alcohols, etc. The utilization aspect encompasses various methods such as thermochemical (combustion), photochemical, electrochemical (fuel cells), and nuclear conversion of hydrogen, hydrogen isotopes, and hydrogen carriers into thermal, mechanical, and electrical energies. The applications of these energies can be found in transportation (including aerospace), industrial, commercial, and residential sectors.