Matches in SemOpenAlex for { <https://semopenalex.org/work/W2130763412> ?p ?o ?g. }
- W2130763412 endingPage "2134" @default.
- W2130763412 startingPage "2131" @default.
- W2130763412 abstract "Monolayers of molybdenum disulfide MoS2 are considered to be prospective materials for nanoelectronics and various catalytic processes. Since in certain conditions they undergo 1T ↔ 2H phase transitions, studying these phase changes is an urgent task. We present a DFT research of these transitions to show that they can proceed as a solid-state reaction. Two transition states were discovered with energy barriers 1.03 and 1.40 eV. Sulfur atoms in the transition states are shown to be displaced relative to molybdenum atoms so that a tendency of one structural modification to transform into the other modification is seen. This kind of displacements agrees with electron microscopy data reported earlier. The energy parameters indicate that 1T → 2H reactions are exothermic for both transition states and can possibly proceed in a self-sustained manner when initially activated by some external energy impact." @default.
- W2130763412 created "2016-06-24" @default.
- W2130763412 creator A5030002484 @default.
- W2130763412 creator A5031103433 @default.
- W2130763412 creator A5051135848 @default.
- W2130763412 creator A5081666989 @default.
- W2130763412 creator A5082092277 @default.
- W2130763412 date "2015-09-17" @default.
- W2130763412 modified "2023-10-05" @default.
- W2130763412 title "Solid-state reaction as a mechanism of 1T ↔ 2H transformation in MoS<sub>2</sub>monolayers" @default.
- W2130763412 cites W1530682245 @default.
- W2130763412 cites W1633093583 @default.
- W2130763412 cites W1977780564 @default.
- W2130763412 cites W1981368803 @default.
- W2130763412 cites W1987315324 @default.
- W2130763412 cites W1997057575 @default.
- W2130763412 cites W1998860528 @default.
- W2130763412 cites W2000042452 @default.
- W2130763412 cites W2003525986 @default.
- W2130763412 cites W2007195468 @default.
- W2130763412 cites W2017871657 @default.
- W2130763412 cites W2021841923 @default.
- W2130763412 cites W2021994802 @default.
- W2130763412 cites W2030687437 @default.
- W2130763412 cites W2032675036 @default.
- W2130763412 cites W2034050716 @default.
- W2130763412 cites W2038533471 @default.
- W2130763412 cites W2044220208 @default.
- W2130763412 cites W2045604811 @default.
- W2130763412 cites W2052434745 @default.
- W2130763412 cites W2058137697 @default.
- W2130763412 cites W2059476722 @default.
- W2130763412 cites W2064972836 @default.
- W2130763412 cites W2075963579 @default.
- W2130763412 cites W2078604324 @default.
- W2130763412 cites W2081336465 @default.
- W2130763412 cites W2086270926 @default.
- W2130763412 cites W2086957099 @default.
- W2130763412 cites W2093812239 @default.
- W2130763412 cites W2108446403 @default.
- W2130763412 cites W2112787360 @default.
- W2130763412 cites W2116373706 @default.
- W2130763412 cites W2121665849 @default.
- W2130763412 cites W2124837073 @default.
- W2130763412 cites W2127453425 @default.
- W2130763412 cites W2129453321 @default.
- W2130763412 cites W2134233006 @default.
- W2130763412 cites W2147244215 @default.
- W2130763412 cites W2163433444 @default.
- W2130763412 cites W2169751572 @default.
- W2130763412 cites W2320037188 @default.
- W2130763412 cites W2322641004 @default.
- W2130763412 cites W2322662251 @default.
- W2130763412 cites W3206606417 @default.
- W2130763412 doi "https://doi.org/10.1002/jcc.24188" @default.
- W2130763412 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26380949" @default.
- W2130763412 hasPublicationYear "2015" @default.
- W2130763412 type Work @default.
- W2130763412 sameAs 2130763412 @default.
- W2130763412 citedByCount "11" @default.
- W2130763412 countsByYear W21307634122016 @default.
- W2130763412 countsByYear W21307634122017 @default.
- W2130763412 countsByYear W21307634122018 @default.
- W2130763412 countsByYear W21307634122019 @default.
- W2130763412 countsByYear W21307634122021 @default.
- W2130763412 crossrefType "journal-article" @default.
- W2130763412 hasAuthorship W2130763412A5030002484 @default.
- W2130763412 hasAuthorship W2130763412A5031103433 @default.
- W2130763412 hasAuthorship W2130763412A5051135848 @default.
- W2130763412 hasAuthorship W2130763412A5081666989 @default.
- W2130763412 hasAuthorship W2130763412A5082092277 @default.
- W2130763412 hasConcept C121332964 @default.
- W2130763412 hasConcept C141400236 @default.
- W2130763412 hasConcept C147597530 @default.
- W2130763412 hasConcept C149288129 @default.
- W2130763412 hasConcept C159467904 @default.
- W2130763412 hasConcept C161790260 @default.
- W2130763412 hasConcept C171250308 @default.
- W2130763412 hasConcept C178790620 @default.
- W2130763412 hasConcept C179104552 @default.
- W2130763412 hasConcept C184779094 @default.
- W2130763412 hasConcept C185592680 @default.
- W2130763412 hasConcept C191897082 @default.
- W2130763412 hasConcept C192562407 @default.
- W2130763412 hasConcept C2780423959 @default.
- W2130763412 hasConcept C45119746 @default.
- W2130763412 hasConcept C549387045 @default.
- W2130763412 hasConcept C65024703 @default.
- W2130763412 hasConcept C7070889 @default.
- W2130763412 hasConcept C8010536 @default.
- W2130763412 hasConcept C89031862 @default.
- W2130763412 hasConcept C97355855 @default.
- W2130763412 hasConceptScore W2130763412C121332964 @default.
- W2130763412 hasConceptScore W2130763412C141400236 @default.
- W2130763412 hasConceptScore W2130763412C147597530 @default.
- W2130763412 hasConceptScore W2130763412C149288129 @default.
- W2130763412 hasConceptScore W2130763412C159467904 @default.
- W2130763412 hasConceptScore W2130763412C161790260 @default.