Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Thermal Relaxation in Janus Transition Metal Dichalcogenide Bilayers
Δημιουργός/Συγγραφέας:	Sgouros, Aristotelis P Michos, Fotios I Sigalas, Michail M Kalosakas, George
Ημερομηνία:	2024-08-25
Γλώσσα:	Αγγλικά
ISSN:	1996-1944
DOI:	10.3390/ma17174200
Άλλο:	39274590
Περίληψη:	In this work, we employ molecular dynamics simulations with semi-empirical interatomic potentials to explore heat dissipation in Janus transition metal dichalcogenides (JTMDs). The middle atomic layer is composed of either molybdenum (Mo) or tungsten (W) atoms, and the top and bottom atomic layers consist of sulfur (S) and selenium (Se) atoms, respectively. Various nanomaterials have been investigated, including both pristine JTMDs and nanostructures incorporating inner triangular regions with a composition distinct from the outer bulk material. At the beginning of our simulations, a temperature gradient across the system is imposed by heating the central region to a high temperature while the surrounding area remains at room temperature. Once a steady state is reached, characterized by a constant energy flux, the temperature control in the central region is switched off. The heat attenuation is investigated by monitoring the characteristic relaxation time (τav) of the local temperature at the central region toward thermal equilibrium. We find that SMoSe JTMDs exhibit thermal attenuation similar to conventional TMDs (τav~10-15 ps). On the contrary, SWSe JTMDs feature relaxation times up to two times as high (τav~14-28 ps). Forming triangular lateral heterostructures in their surfaces leads to a significant slowdown in heat attenuation by up to about an order of magnitude (τav~100 ps).
Τίτλος πηγής δημοσίευσης:	Materials (Basel, Switzerland)
Τόμος/Κεφάλαιο:	17
Τεύχος:	17
Θεματική Κατηγορία:	[EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry [EL] Νανοτεχνολογία[EN] Nanotechnology
Λέξεις-Κλειδιά:	heterostructures out-of-equilibrium dynamics phonons thermal conductivity thermal transport two-dimensional materials
Κάτοχος πνευματικών δικαιωμάτων:	© 2024 by the authors. Licensee MDPI, Basel, Switzerland.
Όροι και προϋποθέσεις δικαιωμάτων:	This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https:// creativecommons.org/licenses/by/ 4.0/).
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://doi.org/10.3390/ma17174200
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο