FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2090979568> ?p ?o ?g. }

• W2090979568 abstract "Submonolayer structures of MgO epitaxially deposited on Ag(001) have been simulated theoretically in order to gain information on the mode of growth. The model adopted consists in a thin silver slab covered on both sides by MgO ``polymers'' (narrow ribbons monoatomic in height) sufficiently distant to prevent interactions among them. An ab initio DFT periodic technique has been adopted, whose adequacy has previously been checked for the case of perfect complete $mathrm{MgO}∕mathrm{Ag}$ overlayers. Two orientations of the polymers have been considered, corresponding to two modes of growth experimentally observed: a nonpolar ( $NP$) and a polar $(P)$ one, the latter being limited at the two borders by rows of bicoordinated O and Mg ions. We have considered both the case where the polymers sit (are ``supported'') on the flat metal surface, and where they are ``embedded'' in grooves at the surface. The results of the simulations (equilibrium geometries, electronic structure and energy data) can be summarized as follows: (i) Interaction with the metal substrate enormously contributes to reducing the instability of the polar border; nevertheless, both for islands supported or embedded at the silver surface, the role of the metal is not sufficient to stabilize the $P$- with respect to the $NP$ orientation. (ii) Steps or vacancy depressions at Ag(001) with edges oriented along the silver $⟨110⟩$ symmetry direction are considerably favored (by almost 25% per unit length) over the $⟨100⟩$ oriented edges in agreement with observations; the preexistence of the former type of steps may favor kinetically the nucleation of $P$-oriented islands leaning against them. (iii) The formation of islands embedded in the metal is in all cases thermodynamically favored with respect to supported ones; this means that, in favorable conditions, the growing oxide film might displace silver atoms and penetrate to some extent in the metal. (iv) The electronic and electrostatic features at polar borders suggest that they could be characterized by very high chemical activity." @default.
• W2090979568 created "2016-06-24" @default.
• W2090979568 creator A5008061976 @default.
• W2090979568 creator A5060667405 @default.
• W2090979568 creator A5082144599 @default.
• W2090979568 date "2005-04-07" @default.
• W2090979568 modified "2023-09-27" @default.
• W2090979568 title "Electronic structure and morphology of MgO submonolayers at the Ag(001) surface: An<i>ab initio</i>model study" @default.
• W2090979568 cites W1970791283 @default.
• W2090979568 cites W1973779110 @default.
• W2090979568 cites W1980438166 @default.
• W2090979568 cites W1981197777 @default.
• W2090979568 cites W1983189540 @default.
• W2090979568 cites W1983628148 @default.
• W2090979568 cites W1986358910 @default.
• W2090979568 cites W1996517253 @default.
• W2090979568 cites W2001915184 @default.
• W2090979568 cites W2004261883 @default.
• W2090979568 cites W2005117061 @default.
• W2090979568 cites W2007483448 @default.
• W2090979568 cites W2013139617 @default.
• W2090979568 cites W2015477132 @default.
• W2090979568 cites W2022233454 @default.
• W2090979568 cites W2022962577 @default.
• W2090979568 cites W2025867781 @default.
• W2090979568 cites W2032295729 @default.
• W2090979568 cites W2036013800 @default.
• W2090979568 cites W2036294707 @default.
• W2090979568 cites W2036926759 @default.
• W2090979568 cites W2042228568 @default.
• W2090979568 cites W2046456297 @default.
• W2090979568 cites W2055208155 @default.
• W2090979568 cites W2074147021 @default.
• W2090979568 cites W2076304635 @default.
• W2090979568 cites W2148941593 @default.
• W2090979568 doi "https://doi.org/10.1103/physrevb.71.155404" @default.
• W2090979568 hasPublicationYear "2005" @default.
• W2090979568 type Work @default.
• W2090979568 sameAs 2090979568 @default.
• W2090979568 citedByCount "33" @default.
• W2090979568 countsByYear W20909795682012 @default.
• W2090979568 countsByYear W20909795682013 @default.
• W2090979568 countsByYear W20909795682014 @default.
• W2090979568 countsByYear W20909795682015 @default.
• W2090979568 countsByYear W20909795682016 @default.
• W2090979568 countsByYear W20909795682017 @default.
• W2090979568 countsByYear W20909795682019 @default.
• W2090979568 crossrefType "journal-article" @default.
• W2090979568 hasAuthorship W2090979568A5008061976 @default.
• W2090979568 hasAuthorship W2090979568A5060667405 @default.
• W2090979568 hasAuthorship W2090979568A5082144599 @default.
• W2090979568 hasConcept C110738630 @default.
• W2090979568 hasConcept C114221277 @default.
• W2090979568 hasConcept C121332964 @default.
• W2090979568 hasConcept C159467904 @default.
• W2090979568 hasConcept C159985019 @default.
• W2090979568 hasConcept C16345878 @default.
• W2090979568 hasConcept C171250308 @default.
• W2090979568 hasConcept C183971685 @default.
• W2090979568 hasConcept C185592680 @default.
• W2090979568 hasConcept C191897082 @default.
• W2090979568 hasConcept C192562407 @default.
• W2090979568 hasConcept C195839 @default.
• W2090979568 hasConcept C2524010 @default.
• W2090979568 hasConcept C26873012 @default.
• W2090979568 hasConcept C2776799497 @default.
• W2090979568 hasConcept C2779227376 @default.
• W2090979568 hasConcept C2781442258 @default.
• W2090979568 hasConcept C32909587 @default.
• W2090979568 hasConcept C33923547 @default.
• W2090979568 hasConcept C46844702 @default.
• W2090979568 hasConcept C544153396 @default.
• W2090979568 hasConcept C61048295 @default.
• W2090979568 hasConcept C62520636 @default.
• W2090979568 hasConcept C6518042 @default.
• W2090979568 hasConcept C8010536 @default.
• W2090979568 hasConcept C97355855 @default.
• W2090979568 hasConceptScore W2090979568C110738630 @default.
• W2090979568 hasConceptScore W2090979568C114221277 @default.
• W2090979568 hasConceptScore W2090979568C121332964 @default.
• W2090979568 hasConceptScore W2090979568C159467904 @default.
• W2090979568 hasConceptScore W2090979568C159985019 @default.
• W2090979568 hasConceptScore W2090979568C16345878 @default.
• W2090979568 hasConceptScore W2090979568C171250308 @default.
• W2090979568 hasConceptScore W2090979568C183971685 @default.
• W2090979568 hasConceptScore W2090979568C185592680 @default.
• W2090979568 hasConceptScore W2090979568C191897082 @default.
• W2090979568 hasConceptScore W2090979568C192562407 @default.
• W2090979568 hasConceptScore W2090979568C195839 @default.
• W2090979568 hasConceptScore W2090979568C2524010 @default.
• W2090979568 hasConceptScore W2090979568C26873012 @default.
• W2090979568 hasConceptScore W2090979568C2776799497 @default.
• W2090979568 hasConceptScore W2090979568C2779227376 @default.
• W2090979568 hasConceptScore W2090979568C2781442258 @default.
• W2090979568 hasConceptScore W2090979568C32909587 @default.
• W2090979568 hasConceptScore W2090979568C33923547 @default.
• W2090979568 hasConceptScore W2090979568C46844702 @default.
• W2090979568 hasConceptScore W2090979568C544153396 @default.
• W2090979568 hasConceptScore W2090979568C61048295 @default.
• W2090979568 hasConceptScore W2090979568C62520636 @default.

• next