FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2810996967> ?p ?o ?g. }

• W2810996967 endingPage "e00319" @default.
• W2810996967 startingPage "e00319" @default.
• W2810996967 abstract "Using the first principles calculations based on density functional theory, we study the structural, electronic, and magnetic properties of composite systems of first and second row transition metal (TM) atoms adsorbed aluminene. This study aims to probe the stability of the system as a result of adsorption of TM atoms on the two-dimensional (2D) surface of planar aluminene. We also study the same for two other well-known 2D single-atom-monolayer (SAML) structures, namely, silicene and arsenene, and we compare the results with those of aluminene. The TM atoms are adsorbed on these 2D SAML structures in three different crystallographically inequivalent sites, namely, the hollow (H), the top (T) and the bridge (Br) sites. The stability of the composite systems, which are a combination of a 2D monolayer structure and a TM atom each, is systematically analyzed in terms of binding energy per atom, for eighteen different TM atoms, with 3 d or 4 d electrons in their valence shell. We compare the results of optimized geometry and stability of the above-mentioned 2D structures when the TM atoms are adsorbed at the H, T and Br sites. We further analyze the interaction energy to discuss about and compare the ease of adsorption of various TM atoms on the three different 2D SAML structures. Interestingly, in most of the cases, adsorption of TM atoms typically yields higher interaction energy in case of aluminene when compared with silicene and arsenene systems. Among all the TM adatoms, few atoms have been identified to have higher interaction energy compared to the others. From our calculations of the density of states and band structure of the composite systems, almost all the composite systems have been found to be metallic, except the composite system of Sc atom and silicene, which exhibits a half-metallic state. Further, though all the three 2D SAML structures are non-magnetic in pristine form, a few composite systems are found to be magnetic in nature." @default.
• W2810996967 created "2018-07-10" @default.
• W2810996967 creator A5005365210 @default.
• W2810996967 creator A5046244077 @default.
• W2810996967 creator A5071394477 @default.
• W2810996967 date "2018-09-01" @default.
• W2810996967 modified "2023-10-02" @default.
• W2810996967 title "First-principles study of adsorption of 3d and 4d transition metal atoms on aluminene" @default.
• W2810996967 cites W1506419662 @default.
• W2810996967 cites W1779039046 @default.
• W2810996967 cites W1788564263 @default.
• W2810996967 cites W1964839645 @default.
• W2810996967 cites W1970127494 @default.
• W2810996967 cites W1973489366 @default.
• W2810996967 cites W1979544533 @default.
• W2810996967 cites W1980785526 @default.
• W2810996967 cites W1981368803 @default.
• W2810996967 cites W1982507227 @default.
• W2810996967 cites W1984535384 @default.
• W2810996967 cites W1986465188 @default.
• W2810996967 cites W1986895442 @default.
• W2810996967 cites W1993457970 @default.
• W2810996967 cites W1996930412 @default.
• W2810996967 cites W1997207324 @default.
• W2810996967 cites W2010711237 @default.
• W2810996967 cites W2012925652 @default.
• W2810996967 cites W2022085321 @default.
• W2810996967 cites W2029281675 @default.
• W2810996967 cites W2031985211 @default.
• W2810996967 cites W2038679007 @default.
• W2810996967 cites W2039421602 @default.
• W2810996967 cites W2041311241 @default.
• W2810996967 cites W2054092721 @default.
• W2810996967 cites W2056028339 @default.
• W2810996967 cites W2058872083 @default.
• W2810996967 cites W2061523234 @default.
• W2810996967 cites W2063473490 @default.
• W2810996967 cites W2068655610 @default.
• W2810996967 cites W2072935319 @default.
• W2810996967 cites W2078029441 @default.
• W2810996967 cites W2083222334 @default.
• W2810996967 cites W2088034301 @default.
• W2810996967 cites W2090880400 @default.
• W2810996967 cites W2091704349 @default.
• W2810996967 cites W2103291130 @default.
• W2810996967 cites W2105685140 @default.
• W2810996967 cites W2150315430 @default.
• W2810996967 cites W2206015623 @default.
• W2810996967 cites W2206837932 @default.
• W2810996967 cites W2281914094 @default.
• W2810996967 cites W2320827996 @default.
• W2810996967 cites W2321257290 @default.
• W2810996967 cites W2321626288 @default.
• W2810996967 cites W2321971933 @default.
• W2810996967 cites W2330711372 @default.
• W2810996967 cites W2408222349 @default.
• W2810996967 cites W2416274478 @default.
• W2810996967 cites W2471246556 @default.
• W2810996967 cites W2484206964 @default.
• W2810996967 cites W2498976080 @default.
• W2810996967 cites W2527681545 @default.
• W2810996967 cites W2551721901 @default.
• W2810996967 cites W2564066640 @default.
• W2810996967 cites W2568708951 @default.
• W2810996967 cites W2574576038 @default.
• W2810996967 cites W2587150223 @default.
• W2810996967 cites W2594608387 @default.
• W2810996967 cites W3098530618 @default.
• W2810996967 cites W3098775612 @default.
• W2810996967 cites W3100477776 @default.
• W2810996967 cites W3102942025 @default.
• W2810996967 cites W3103242701 @default.
• W2810996967 cites W3103908306 @default.
• W2810996967 cites W3104188670 @default.
• W2810996967 cites W3104713802 @default.
• W2810996967 cites W3106183465 @default.
• W2810996967 cites W3125888418 @default.
• W2810996967 doi "https://doi.org/10.1016/j.cocom.2018.e00319" @default.
• W2810996967 hasPublicationYear "2018" @default.
• W2810996967 type Work @default.
• W2810996967 sameAs 2810996967 @default.
• W2810996967 citedByCount "6" @default.
• W2810996967 countsByYear W28109969672019 @default.
• W2810996967 countsByYear W28109969672020 @default.
• W2810996967 countsByYear W28109969672021 @default.
• W2810996967 countsByYear W28109969672022 @default.
• W2810996967 crossrefType "journal-article" @default.
• W2810996967 hasAuthorship W2810996967A5005365210 @default.
• W2810996967 hasAuthorship W2810996967A5046244077 @default.
• W2810996967 hasAuthorship W2810996967A5071394477 @default.
• W2810996967 hasConcept C106773901 @default.
• W2810996967 hasConcept C121332964 @default.
• W2810996967 hasConcept C147120987 @default.
• W2810996967 hasConcept C147597530 @default.
• W2810996967 hasConcept C147789679 @default.
• W2810996967 hasConcept C149635348 @default.
• W2810996967 hasConcept C150394285 @default.
• W2810996967 hasConcept C152365726 @default.

• next