FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2968961549> ?p ?o ?g. }

• W2968961549 endingPage "105055" @default.
• W2968961549 startingPage "105055" @default.
• W2968961549 abstract "The geometry, stability and electronic properties of hydrogenated Janus MoSSe monolayer (MoSSe-Hx) (x=0-16) were investigated by first-principles calculations. Energetically, Sets is the most favorable and stable site for H adsorption. Janus MoSSe-Hx is predicted to be stable because its formation energy is lower than graphane and H2S, and the adsorption energy is lower than H atoms adsorbed on graphene and MoS2. The analysis of the electronic density distribution and bond population also show that Janus MoSSe-Hx forms stable structure. Then, the variations of electronic structure of Janus MoSSe-Hx were investigated. With the increase of the adsorbed numbers of H atoms, the density of state (DOS) of Janus MoSSe monolayer changed. It can be found that the DOS of Janus MoSSe-H2 has additional peaks in the band gap, which are introduced from H 1s doping states. With the increase of H atoms adsorbed, there are more H 1s doping states in the band gap. Correspondingly, the band gap of the Janus MoSSe-Hx monolayer gradually decreases. The band gap of pristine Janus MoSSe is 1.47 eV, and the band gap of 2 H adsorbed on Janus MoSSe is 1.41 eV. When 16 H atoms are adsorbed on Se side of Janus MoSSe, the band gap is 0.25 eV. Also, the work function of the Janus MoSSe-Hx monolayer was observed to decrease as the number of adsorbed H atoms increased. After hydrogenation process, the Se atoms transfer electrons to H atoms and Mo atoms, Mo atoms neutralize part of electrons, which leads to the weakening of the electric field pointing outward from Mo atoms to vacuum in the Janus MoSSe. As a result, the work function of the pristine Janus MoSSe is 5.24 eV, and the work function of Janus MoSSe-Hx (x=16) decreases to 3.70 eV." @default.
• W2968961549 created "2019-08-22" @default.
• W2968961549 creator A5007841440 @default.
• W2968961549 creator A5009733897 @default.
• W2968961549 creator A5035248224 @default.
• W2968961549 creator A5035441171 @default.
• W2968961549 creator A5039297253 @default.
• W2968961549 creator A5042440664 @default.
• W2968961549 creator A5054879435 @default.
• W2968961549 creator A5063265898 @default.
• W2968961549 creator A5067250026 @default.
• W2968961549 creator A5072778557 @default.
• W2968961549 creator A5079829569 @default.
• W2968961549 creator A5081821132 @default.
• W2968961549 date "2019-08-23" @default.
• W2968961549 modified "2023-10-18" @default.
• W2968961549 title "The electronic properties of hydrogenated Janus MoSSe monolayer: a first principles investigation" @default.
• W2968961549 cites W1833113982 @default.
• W2968961549 cites W1972317889 @default.
• W2968961549 cites W1991149034 @default.
• W2968961549 cites W2001826075 @default.
• W2968961549 cites W2004026087 @default.
• W2968961549 cites W2009947376 @default.
• W2968961549 cites W2012304502 @default.
• W2968961549 cites W2024859660 @default.
• W2968961549 cites W2037520542 @default.
• W2968961549 cites W2071237909 @default.
• W2968961549 cites W2082319765 @default.
• W2968961549 cites W2083222334 @default.
• W2968961549 cites W2084223218 @default.
• W2968961549 cites W2088043604 @default.
• W2968961549 cites W2115786064 @default.
• W2968961549 cites W2126421651 @default.
• W2968961549 cites W2145438634 @default.
• W2968961549 cites W2150399639 @default.
• W2968961549 cites W2169515998 @default.
• W2968961549 cites W2179451613 @default.
• W2968961549 cites W2470344753 @default.
• W2968961549 cites W2511325666 @default.
• W2968961549 cites W2590162067 @default.
• W2968961549 cites W2608790738 @default.
• W2968961549 cites W2614371951 @default.
• W2968961549 cites W2619473649 @default.
• W2968961549 cites W2771026848 @default.
• W2968961549 cites W2781956490 @default.
• W2968961549 cites W2782168144 @default.
• W2968961549 cites W2789728247 @default.
• W2968961549 cites W2837045215 @default.
• W2968961549 cites W2902584851 @default.
• W2968961549 cites W2910702970 @default.
• W2968961549 cites W2928852911 @default.
• W2968961549 cites W3100025636 @default.
• W2968961549 cites W3115492663 @default.
• W2968961549 cites W646077378 @default.
• W2968961549 doi "https://doi.org/10.1088/2053-1591/ab3ac8" @default.
• W2968961549 hasPublicationYear "2019" @default.
• W2968961549 type Work @default.
• W2968961549 sameAs 2968961549 @default.
• W2968961549 citedByCount "9" @default.
• W2968961549 countsByYear W29689615492020 @default.
• W2968961549 countsByYear W29689615492021 @default.
• W2968961549 countsByYear W29689615492022 @default.
• W2968961549 countsByYear W29689615492023 @default.
• W2968961549 crossrefType "journal-article" @default.
• W2968961549 hasAuthorship W2968961549A5007841440 @default.
• W2968961549 hasAuthorship W2968961549A5009733897 @default.
• W2968961549 hasAuthorship W2968961549A5035248224 @default.
• W2968961549 hasAuthorship W2968961549A5035441171 @default.
• W2968961549 hasAuthorship W2968961549A5039297253 @default.
• W2968961549 hasAuthorship W2968961549A5042440664 @default.
• W2968961549 hasAuthorship W2968961549A5054879435 @default.
• W2968961549 hasAuthorship W2968961549A5063265898 @default.
• W2968961549 hasAuthorship W2968961549A5067250026 @default.
• W2968961549 hasAuthorship W2968961549A5072778557 @default.
• W2968961549 hasAuthorship W2968961549A5079829569 @default.
• W2968961549 hasAuthorship W2968961549A5081821132 @default.
• W2968961549 hasConcept C144024400 @default.
• W2968961549 hasConcept C171250308 @default.
• W2968961549 hasConcept C192562407 @default.
• W2968961549 hasConcept C2779290492 @default.
• W2968961549 hasConcept C7070889 @default.
• W2968961549 hasConceptScore W2968961549C144024400 @default.
• W2968961549 hasConceptScore W2968961549C171250308 @default.
• W2968961549 hasConceptScore W2968961549C192562407 @default.
• W2968961549 hasConceptScore W2968961549C2779290492 @default.
• W2968961549 hasConceptScore W2968961549C7070889 @default.
• W2968961549 hasFunder F4320321001 @default.
• W2968961549 hasIssue "10" @default.
• W2968961549 hasLocation W29689615491 @default.
• W2968961549 hasOpenAccess W2968961549 @default.
• W2968961549 hasPrimaryLocation W29689615491 @default.
• W2968961549 hasRelatedWork W2989561113 @default.
• W2968961549 hasRelatedWork W2995516646 @default.
• W2968961549 hasRelatedWork W3028549749 @default.
• W2968961549 hasRelatedWork W3082675127 @default.
• W2968961549 hasRelatedWork W3116170721 @default.
• W2968961549 hasRelatedWork W3153400096 @default.
• W2968961549 hasRelatedWork W3201121991 @default.

• next