{"title":"Oxygen Adsorption, Absorption and Diffusion in FeCrNi Medium Entropy Alloy: An Ab Initio Study","authors":"Farhan Khalid, Meifeng Li, Jing Liu, Hao Zhang","doi":"10.1002/cphc.202482404","DOIUrl":null,"url":null,"abstract":"<p><b>The Cover Feature</b> illustrates the oxygen permeation pathway for high-temperature surface diffusion in a FCC FeCrNi medium entropy alloy. Key highlights include oxygen stability at the fourfold hollow site on the surface and the octahedral site in the subsurface. The visualization consists of adsorption energy <i>E</i><sub>ads</sub> and diffusion barriers <i>E</i><sub>b</sub>, both critical factors influencing oxygen permeation. Because of the multicomponent nature of the entropy alloy, a range of adsorption and interstitial site combinations arise, creating multiple possible permeation pathways. More information can be found in the Research Article by H. Zhang and co-workers (DOI: 10.1002/cphc.202400885).\n <figure>\n <div><picture>\n <source></source></picture><p></p>\n </div>\n </figure>\n </p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"25 24","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202482404","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemphyschem","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cphc.202482404","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
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Abstract
The Cover Feature illustrates the oxygen permeation pathway for high-temperature surface diffusion in a FCC FeCrNi medium entropy alloy. Key highlights include oxygen stability at the fourfold hollow site on the surface and the octahedral site in the subsurface. The visualization consists of adsorption energy Eads and diffusion barriers Eb, both critical factors influencing oxygen permeation. Because of the multicomponent nature of the entropy alloy, a range of adsorption and interstitial site combinations arise, creating multiple possible permeation pathways. More information can be found in the Research Article by H. Zhang and co-workers (DOI: 10.1002/cphc.202400885).
期刊介绍：
ChemPhysChem is one of the leading chemistry/physics interdisciplinary journals (ISI Impact Factor 2018: 3.077) for physical chemistry and chemical physics. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies.
ChemPhysChem is an international source for important primary and critical secondary information across the whole field of physical chemistry and chemical physics. It integrates this wide and flourishing field ranging from Solid State and Soft-Matter Research, Electro- and Photochemistry, Femtochemistry and Nanotechnology, Complex Systems, Single-Molecule Research, Clusters and Colloids, Catalysis and Surface Science, Biophysics and Physical Biochemistry, Atmospheric and Environmental Chemistry, and many more topics. ChemPhysChem is peer-reviewed.
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