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dc.contributor.authorImani Yengejeh, S
dc.contributor.authorKazemi, SA
dc.contributor.authorWen, W
dc.contributor.authorWang, Y
dc.date.accessioned2021-07-08T03:57:36Z
dc.date.available2021-07-08T03:57:36Z
dc.date.issued2021
dc.identifier.issn0167-6636
dc.identifier.doi10.1016/j.mechmat.2021.103957
dc.identifier.urihttp://hdl.handle.net/10072/405831
dc.description.abstractTwo-dimensional (2D) transition metal carbides and nitrides, known as MXenes, have gained notable attention recently because these super-strong materials have many promising applications. In this study, computational analysis is conducted to explore the in-plane elastic constants, 2D stiffness and shear modulus of oxygen terminated M4X3 MXenes by means of the density functional theory (DFT) calculations. Our results reveal that the binding site of the oxygen atoms can greatly affect the mechanical properties. The crystal orbital Hamilton population (COHP) analysis suggests that the impact of the oxygen-binding site is because the M − O bonding strength can significantly influence their mechanical stiffness. Our outcomes may, therefore, provide the theoretical foundation for the advance of MXene-based applications in mechanical engineering.
dc.description.peerreviewedYes
dc.languageen
dc.publisherElsevier BV
dc.relation.ispartofpagefrom103957
dc.relation.ispartofjournalMechanics of Materials
dc.relation.ispartofvolume160
dc.subject.fieldofresearchCivil Engineering
dc.subject.fieldofresearchMaterials Engineering
dc.subject.fieldofresearchMechanical Engineering
dc.subject.fieldofresearchcode0905
dc.subject.fieldofresearchcode0912
dc.subject.fieldofresearchcode0913
dc.titleOxygen-terminated M4X3 MXenes with superior mechanical strength
dc.typeJournal article
dc.type.descriptionC1 - Articles
dcterms.bibliographicCitationImani Yengejeh, S; Kazemi, SA; Wen, W; Wang, Y, Oxygen-terminated M4X3 MXenes with superior mechanical strength, Mechanics of Materials, 2021, 160, pp. 103957
dc.date.updated2021-07-08T03:46:12Z
gro.hasfulltextNo Full Text
gro.griffith.authorWang, Yun
gro.griffith.authorWen, William Y.
gro.griffith.authorKazemi, Seyedeh Alieh
gro.griffith.authorImani Yengejeh, Sadegh


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