Is Single Layer MoS2 Stable in the Air?
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F17%3A73584552" target="_blank" >RIV/61989592:15310/17:73584552 - isvavai.cz</a>
Result on the web
<a href="http://onlinelibrary.wiley.com/doi/10.1002/chem.201702860/full" target="_blank" >http://onlinelibrary.wiley.com/doi/10.1002/chem.201702860/full</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/chem.201702860" target="_blank" >10.1002/chem.201702860</a>
Alternative languages
Result language
angličtina
Original language name
Is Single Layer MoS2 Stable in the Air?
Original language description
Molybdenum disulfide (MoS2) is extensively studied because of its potential applications in catalysis, electronic and optoelectronic devices, and composite nanostructures. However, a recent experimental study indicated that, contrary to current beliefs, MoS2 monolayers lack long-term stability in air. Here, a study is presented on the oxidation of MoS2 monolayers based on density functional theory (DFT) calculations. The results suggest that single-layer MoS2 samples with exposed edge sites are indeed unstable to oxidation, which occurs because of the low energetic barrier to dissociation of oxygen molecules at the Mo-edges of MoS2. After an oxygen molecule dissociates, oxygen atoms replace sulfur atoms, and further oxidation causes the formation of a one-dimensional chain-like structure resembling that of bulk MoO3. This MoO3 structure facilitates the spread of oxidation onto the surface, and the stress associated with the misfit between the MoS2 and MoO3 lattices may cause the experimentally observed cracking of MoS2 flakes.
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
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/LO1305" target="_blank" >LO1305: Development of the center of advanced technologies and materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemistry: A European Journal
ISSN
0947-6539
e-ISSN
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Volume of the periodical
23
Issue of the periodical within the volume
53
Country of publishing house
DE - GERMANY
Number of pages
7
Pages from-to
13233-13239
UT code for WoS article
000411357000036
EID of the result in the Scopus database
2-s2.0-85028727532