Effect of Noninteracting Intercalants on Layer Exfoliation in Transition-Metal Dichalcogenides
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F21%3A00350391" target="_blank" >RIV/68407700:21230/21:00350391 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1103/PhysRevApplied.15.064041" target="_blank" >https://doi.org/10.1103/PhysRevApplied.15.064041</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevApplied.15.064041" target="_blank" >10.1103/PhysRevApplied.15.064041</a>
Alternative languages
Result language
angličtina
Original language name
Effect of Noninteracting Intercalants on Layer Exfoliation in Transition-Metal Dichalcogenides
Original language description
The control of friction at the atomic scale is fundamental to optimize the exfoliation of layered materials. To this aim, we report a density-functional investigation of how intercalated molecules affect the nanoscale friction of van derWaals transition-metal dichalcogenides.We find that the molecule does not interact with the electronic density of the layers directly; nonetheless it determines the features of the valence band of the system. In particular, the valence-band width appears to be a promising parameter to correlate the electronic properties with the nanofrictional response; it then constitutes a guide for the automatic search of intercalation molecules suitable for layer exfoliation. The present outcomes also constitute a theoretical tool for future investigations of the effect that intercalated species have on the nanoscale friction in layered materials.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review Applied
ISSN
2331-7019
e-ISSN
2331-7019
Volume of the periodical
15
Issue of the periodical within the volume
6
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
"064041-1"-"064041-12"
UT code for WoS article
000663391200003
EID of the result in the Scopus database
2-s2.0-85108945469