Sliding Properties of MoS2 Layers: Load and Interlayer Orientation Effects

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F14%3A00218713" target="_blank" >RIV/68407700:21230/14:00218713 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/jp4098099" target="_blank" >http://dx.doi.org/10.1021/jp4098099</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jp4098099" target="_blank" >10.1021/jp4098099</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Sliding Properties of MoS2 Layers: Load and Interlayer Orientation Effects

Popis výsledku v původním jazyce

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, wedemonstrate 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 heig

Název v anglickém jazyce

Sliding Properties of MoS2 Layers: Load and Interlayer Orientation Effects

Popis výsledku anglicky

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, wedemonstrate 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 heig

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

JI - Kompositní materiály

OECD FORD obor

—

Projekt

<a href="/cs/project/GAP108%2F10%2F0218" target="_blank" >GAP108/10/0218: Pokročilé self-adaptivní povlaky s nízkým třením na bázi dichalkogenidů přechodových kovů s uhlíkem</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

The Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

—

Svazek periodika

118

Číslo periodika v rámci svazku

25

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

13809-13816

Kód UT WoS článku

000338184300057

EID výsledku v databázi Scopus

—