Details
Originalsprache | Englisch |
---|---|
Seiten (von - bis) | 65-72 |
Seitenumfang | 8 |
Fachzeitschrift | Extreme Mechanics Letters |
Jahrgang | 20 |
Frühes Online-Datum | 31 Jan. 2018 |
Publikationsstatus | Veröffentlicht - Apr. 2018 |
Extern publiziert | Ja |
Abstract
Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D atomic lattices of 2H, 1T and 1T′, with diverse properties, like semiconducting and metallic electronic characters. Using the polymorphic heteroepitaxy, most recently coplanar semiconductor/metal (2H/1T′) few-layer MoTe2 heterostructures were experimentally synthesized, highly promising to build circuit components for next generation nanoelectronics. Motivated by the recent experimental advances, we conducted first-principles calculations to explore the mechanical properties of single-layer MoTe2 structures. We first studied the mechanical responses of pristine and single-layer 2H-, 1T- and 1T′-MoTe2. In these cases we particularly analyzed the possibility of engineering of the electronic properties of these attractive 2D structures using the biaxial or uniaxial tensile loadings. Finally, the mechanical-failure responses of 1T′/2H-MoTe2 heterostructure were explored, which confirms the remarkable strength of this novel 2D system.
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- Chemische Verfahrenstechnik (insg.)
- Bioengineering
- Chemische Verfahrenstechnik (insg.)
- Chemische Verfahrenstechnik (sonstige)
- Ingenieurwesen (insg.)
- Ingenieurwesen (sonstige)
- Ingenieurwesen (insg.)
- Werkstoffmechanik
- Ingenieurwesen (insg.)
- Maschinenbau
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in: Extreme Mechanics Letters, Jahrgang 20, 04.2018, S. 65-72.
Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review
}
TY - JOUR
T1 - Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T′ and 1T′/2H heterostructure
AU - Mortazavi, Bohayra
AU - Berdiyorov, Golibjon R.
AU - Makaremi, Meysam
AU - Rabczuk, Timon
N1 - Funding information: B. M. and T. R. greatly acknowledge the financial support by European Research Council for COMBAT project (Grant number 615132 ).
PY - 2018/4
Y1 - 2018/4
N2 - Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D atomic lattices of 2H, 1T and 1T′, with diverse properties, like semiconducting and metallic electronic characters. Using the polymorphic heteroepitaxy, most recently coplanar semiconductor/metal (2H/1T′) few-layer MoTe2 heterostructures were experimentally synthesized, highly promising to build circuit components for next generation nanoelectronics. Motivated by the recent experimental advances, we conducted first-principles calculations to explore the mechanical properties of single-layer MoTe2 structures. We first studied the mechanical responses of pristine and single-layer 2H-, 1T- and 1T′-MoTe2. In these cases we particularly analyzed the possibility of engineering of the electronic properties of these attractive 2D structures using the biaxial or uniaxial tensile loadings. Finally, the mechanical-failure responses of 1T′/2H-MoTe2 heterostructure were explored, which confirms the remarkable strength of this novel 2D system.
AB - Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D atomic lattices of 2H, 1T and 1T′, with diverse properties, like semiconducting and metallic electronic characters. Using the polymorphic heteroepitaxy, most recently coplanar semiconductor/metal (2H/1T′) few-layer MoTe2 heterostructures were experimentally synthesized, highly promising to build circuit components for next generation nanoelectronics. Motivated by the recent experimental advances, we conducted first-principles calculations to explore the mechanical properties of single-layer MoTe2 structures. We first studied the mechanical responses of pristine and single-layer 2H-, 1T- and 1T′-MoTe2. In these cases we particularly analyzed the possibility of engineering of the electronic properties of these attractive 2D structures using the biaxial or uniaxial tensile loadings. Finally, the mechanical-failure responses of 1T′/2H-MoTe2 heterostructure were explored, which confirms the remarkable strength of this novel 2D system.
KW - 2D materials
KW - First-principles modeling
KW - Heterostructure
KW - Mechanical
KW - MoTe
UR - http://www.scopus.com/inward/record.url?scp=85041407479&partnerID=8YFLogxK
U2 - 10.1016/j.eml.2018.01.005
DO - 10.1016/j.eml.2018.01.005
M3 - Article
AN - SCOPUS:85041407479
VL - 20
SP - 65
EP - 72
JO - Extreme Mechanics Letters
JF - Extreme Mechanics Letters
ER -