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Titel:

Bond-order potential for the surface-terminated titanium carbide MXene monolayers Tin+1CnTx (n = 1 , 2 , or 3 ; T = − O or − F)

Dokumenttyp:
Zeitschriftenaufsatz
Autor(en):
G. Plummer, S. Thomas, M.A. Zaeem, G.J. Tucker
Abstract:
MXenes are an emerging family of two-dimensional (2D) materials with highly tunable properties. Their fundamental mechanical properties have received comparatively less research attention than other functional properties due to the difficulty of performing such experiments on 2D materials. Therefore, we have developed a bond-order potential for surface-terminated titanium carbide MXene monolayers (Tin+1CnTx, n=1,2,or3,T=−Oor−F), enabling large-scale atomistic simulations which can probe both mec...     »
Zeitschriftentitel:
Phys. Rev. B 106, 054105 2022-08
Jahr:
2022
Jahr / Monat:
2022-08
Quartal:
3. Quartal
Monat:
Aug
Sprache:
en
Volltext / DOI:
doi:10.1103/PhysRevB.106.054105
WWW:
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.106.054105
Verlag / Institution:
American Physical Society APS
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