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Hydrogen sorption capacity of crystal lattice defects and low Miller index surfaces of copper
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. (Enheten)
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. (Enheten)ORCID iD: 0000-0002-9920-5393
2020 (English)In: Journal of Materials Science, ISSN 0022-2461, E-ISSN 1573-4803, Vol. 55, no 15, p. 6623-6636Article in journal (Refereed) Published
Abstract [en]

The effect of hydrogen on the physical-chemical properties of copper is directly dependent on the types of chemical bonding between H and lattice defects in Cu. In this work, we performed a systematic study of the bonding of H-atoms with crystal lattice defects of copper. This included three types of symmetric tilt grain boundaries (GBs), sigma 3, sigma 5 and sigma 11, and the low Miller index surfaces, (111), (110) and (100). A comparison with literature data for the bonding of H-atoms with point defects such as vacancies was done. From the defects investigated and analyzed, we conclude that the bond strength with H-atoms varies in the decreasing order: surfaces [(111), (110) and (100)] > vacancy > sigma 5 GB > sigma 11 GB > bulk approximate to sigma 3 GB. A study on the effects of the fcc lattice expansion on the binding energies of H-atoms shows that the main driving force behind the segregation of H-atoms at some GBs is the larger volume at those interstitial GB sites when compared to the interstitial bulk sites.

Place, publisher, year, edition, pages
Springer, 2020. Vol. 55, no 15, p. 6623-6636
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-271497DOI: 10.1007/s10853-020-04459-zISI: 000518845200023Scopus ID: 2-s2.0-85081043685OAI: oai:DiVA.org:kth-271497DiVA, id: diva2:1425993
Note

QC 20200423

Available from: 2020-04-23 Created: 2020-04-23 Last updated: 2020-04-23Bibliographically approved

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