About: Sliding Properties of MoS2 Layers: Load and Interlayer Orientation Effects

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Among the members of the transition metal dichalcogenides (TMD) family, molybdenum disulfide has the most consolidated application outcomes in tribological fields. However, despite the growing usage as nanostructured solid lubricant due to its lamellar structure, little is known about the atomistic interactions taking place at the interface between two MoS2 sliding layers, especially at high loads. By means of ab initio modeling of the static potential energy surface and charge distribution analysis, we demonstrate how electrostatic interactions, negligible in comparison with van der Waals and Pauli contributions at zero load, progressively affect the sliding motion at increasing loads. As such, they discriminate the relative stability and the frictional behavior of bilayers where the two monolayers defining the interface have a different relative orientation. In particular, for antiparallel sliding layers we observed a load-induced increase of both the depth of the minima and the height of the energy barriers compared to parallel ones, which may have important consequences for the fabrication of more efficient ultralow friction devices at the nanoscale. Among the members of the transition metal dichalcogenides (TMD) family, molybdenum disulfide has the most consolidated application outcomes in tribological fields. However, despite the growing usage as nanostructured solid lubricant due to its lamellar structure, little is known about the atomistic interactions taking place at the interface between two MoS2 sliding layers, especially at high loads. By means of ab initio modeling of the static potential energy surface and charge distribution analysis, we demonstrate how electrostatic interactions, negligible in comparison with van der Waals and Pauli contributions at zero load, progressively affect the sliding motion at increasing loads. As such, they discriminate the relative stability and the frictional behavior of bilayers where the two monolayers defining the interface have a different relative orientation. In particular, for antiparallel sliding layers we observed a load-induced increase of both the depth of the minima and the height of the energy barriers compared to parallel ones, which may have important consequences for the fabrication of more efficient ultralow friction devices at the nanoscale. (en)
Title	Sliding Properties of MoS2 Layers: Load and Interlayer Orientation Effects Sliding Properties of MoS2 Layers: Load and Interlayer Orientation Effects (en)
skos:prefLabel	Sliding Properties of MoS2 Layers: Load and Interlayer Orientation Effects Sliding Properties of MoS2 Layers: Load and Interlayer Orientation Effects (en)
skos:notation	RIV/68407700:21230/14:00218713!RIV15-GA0-21230___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(GAP108/10/0218)
http://linked.open...iv/cisloPeriodika	25
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Polcar, Tomáš
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	České vysoké učení technické v Praze / Fakulta elektrotechnická
http://linked.open...dnocenehoVysledku	45303
http://linked.open...ai/riv/idVysledku	RIV/68407700:21230/14:00218713
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	MOLYBDENUM-DISULFIDE; THIN MOS2; AB-INITIO; LUBRICANT; CHEMISTRY; FRICTION; COATINGS; 2H-MOS2 (en)
http://linked.open.../riv/klicoveSlovo	MOLYBDENUM-DISULFIDE FRICTION CHEMISTRY AB-INITIO COATINGS 2H-MOS2 LUBRICANT THIN MOS2
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[33F9EA2451B1]
http://linked.open...i/riv/nazevZdroje	The Journal of Physical Chemistry C
http://linked.open...in/vavai/riv/obor	JI
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Advanced self-adaptive low friction coatings based on transition metal dichalcogenides alloyed with carbon
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	118
http://linked.open...iv/tvurceVysledku	Cavaleiro, A. Polcar, Tomáš Levita, G. Molinari, E. Righi, M. C.
http://linked.open...ain/vavai/riv/wos	000338184300057
issn	1932-7447
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/jp4098099
http://localhost/t...ganizacniJednotka	21230

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