Matches in SemOpenAlex for { <https://semopenalex.org/work/W4308744024> ?p ?o ?g. }
- W4308744024 endingPage "101921" @default.
- W4308744024 startingPage "101921" @default.
- W4308744024 abstract "2D transition metal carbides, nitrides, and carbonitrides (MXenes) have become prominent in energy storage, catalysis, environmental and nanoelectronics applications. In addition to their outstanding merits of electrical conductivity and electrochemically activity, the mechanical properties play crucial roles in all these applications but are usually ignored by researchers. Only quite a few publications have studied their mechanical properties and these studies still only represent a limited range of predictions compared to the large family of MXenes. Utilizing high-throughput computations and data-driven methods, this work studies the tensile stiffness (E2D) and strength (σs) of 157 types of MXenes that could be potentially fabricated. We find MXenes with the tensile stiffness ranging from 81.71 to 561.4 N/m, while 42 structures show higher stiffness than the well-known graphene and transition metal dichalcogenide (TMDs) monolayers. The E2D strongly depends on the thickness, bond strength and surface terminations. Surprisingly, we find that the surface terminations can significantly improve the E2D, and the improvement can reach nearly 100%. By using the recently developed interpretable machine learning method, we obtain the analytical formula of E2D with efficient and physically interpretable descriptors that can predict the stiffness accurately. As for the σs, it significantly scales with E2D (σs≈E2D/β, β=10.449), and can be also improved by surface terminations as well as E2D. In addition, we also find a few of MXene semiconductors, although most of MXenes are metals. Moreover, the mechanical properties of these MXenes are better than the widely used monolayer semiconductor TMDs. These MXenes semiconductors with a moderate band gap may open a new avenue for fabricating next-generation 2D nanoscale electronics, such as all-in-one monolayer devices." @default.
- W4308744024 created "2022-11-15" @default.
- W4308744024 creator A5004752062 @default.
- W4308744024 creator A5012937709 @default.
- W4308744024 creator A5028434644 @default.
- W4308744024 creator A5034411468 @default.
- W4308744024 creator A5062361623 @default.
- W4308744024 creator A5073768314 @default.
- W4308744024 date "2022-11-01" @default.
- W4308744024 modified "2023-10-10" @default.
- W4308744024 title "Investigation and understanding of the mechanical properties of MXene by high-throughput computations and interpretable machine learning" @default.
- W4308744024 cites W1855075826 @default.
- W4308744024 cites W1970127494 @default.
- W4308744024 cites W1976325808 @default.
- W4308744024 cites W1981368803 @default.
- W4308744024 cites W1986147552 @default.
- W4308744024 cites W2007395042 @default.
- W4308744024 cites W2014451195 @default.
- W4308744024 cites W2022085321 @default.
- W4308744024 cites W2035206741 @default.
- W4308744024 cites W2083222334 @default.
- W4308744024 cites W2088043604 @default.
- W4308744024 cites W2507597753 @default.
- W4308744024 cites W2574394697 @default.
- W4308744024 cites W2620263069 @default.
- W4308744024 cites W2806275814 @default.
- W4308744024 cites W2806393871 @default.
- W4308744024 cites W2807773198 @default.
- W4308744024 cites W2904925165 @default.
- W4308744024 cites W2912260169 @default.
- W4308744024 cites W2912459515 @default.
- W4308744024 cites W2952587573 @default.
- W4308744024 cites W2955428797 @default.
- W4308744024 cites W2962717544 @default.
- W4308744024 cites W2985745421 @default.
- W4308744024 cites W2993032859 @default.
- W4308744024 cites W2995260271 @default.
- W4308744024 cites W3007688084 @default.
- W4308744024 cites W3034412283 @default.
- W4308744024 cites W3038025793 @default.
- W4308744024 cites W3039830363 @default.
- W4308744024 cites W3041029313 @default.
- W4308744024 cites W3088783337 @default.
- W4308744024 cites W3093500261 @default.
- W4308744024 cites W3118552503 @default.
- W4308744024 cites W3131002555 @default.
- W4308744024 cites W3133166168 @default.
- W4308744024 cites W3135838766 @default.
- W4308744024 cites W3136833096 @default.
- W4308744024 cites W3150978850 @default.
- W4308744024 cites W3157144388 @default.
- W4308744024 cites W3168759631 @default.
- W4308744024 cites W3178883367 @default.
- W4308744024 cites W3191426417 @default.
- W4308744024 cites W3201327160 @default.
- W4308744024 cites W3201928650 @default.
- W4308744024 cites W4206750083 @default.
- W4308744024 cites W4214931250 @default.
- W4308744024 cites W4280526405 @default.
- W4308744024 cites W4281382152 @default.
- W4308744024 doi "https://doi.org/10.1016/j.eml.2022.101921" @default.
- W4308744024 hasPublicationYear "2022" @default.
- W4308744024 type Work @default.
- W4308744024 citedByCount "3" @default.
- W4308744024 countsByYear W43087440242023 @default.
- W4308744024 crossrefType "journal-article" @default.
- W4308744024 hasAuthorship W4308744024A5004752062 @default.
- W4308744024 hasAuthorship W4308744024A5012937709 @default.
- W4308744024 hasAuthorship W4308744024A5028434644 @default.
- W4308744024 hasAuthorship W4308744024A5034411468 @default.
- W4308744024 hasAuthorship W4308744024A5062361623 @default.
- W4308744024 hasAuthorship W4308744024A5073768314 @default.
- W4308744024 hasConcept C108225325 @default.
- W4308744024 hasConcept C112950240 @default.
- W4308744024 hasConcept C141400236 @default.
- W4308744024 hasConcept C157764524 @default.
- W4308744024 hasConcept C159985019 @default.
- W4308744024 hasConcept C171250308 @default.
- W4308744024 hasConcept C192562407 @default.
- W4308744024 hasConcept C2776453213 @default.
- W4308744024 hasConcept C2779372316 @default.
- W4308744024 hasConcept C30080830 @default.
- W4308744024 hasConcept C41008148 @default.
- W4308744024 hasConcept C49040817 @default.
- W4308744024 hasConcept C555944384 @default.
- W4308744024 hasConcept C7070889 @default.
- W4308744024 hasConcept C76155785 @default.
- W4308744024 hasConceptScore W4308744024C108225325 @default.
- W4308744024 hasConceptScore W4308744024C112950240 @default.
- W4308744024 hasConceptScore W4308744024C141400236 @default.
- W4308744024 hasConceptScore W4308744024C157764524 @default.
- W4308744024 hasConceptScore W4308744024C159985019 @default.
- W4308744024 hasConceptScore W4308744024C171250308 @default.
- W4308744024 hasConceptScore W4308744024C192562407 @default.
- W4308744024 hasConceptScore W4308744024C2776453213 @default.
- W4308744024 hasConceptScore W4308744024C2779372316 @default.
- W4308744024 hasConceptScore W4308744024C30080830 @default.
- W4308744024 hasConceptScore W4308744024C41008148 @default.