FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2003158805> ?p ?o ?g. }

• W2003158805 endingPage "5949" @default.
• W2003158805 startingPage "5936" @default.
• W2003158805 abstract "This paper presents a general theory elucidating the relationships between the structures and cohesive energetics of alkali halide nanocrystals consisting of small sections of bulk rocksalt structures with m1 and m2 rows but infinite along the z axis. The theory introduces the electrostatic interactions between the ions treated as point charges and the short-range repulsions between the closest ion neighbors with the latter terms written in the Born form Ar-n. Minimum energy structures are defined by the distances ae and be separating the closest ions perpendicular and parallel to the z direction. The ratio ae/be, defining the crystal shape, is independent of the strength A of the short-range repulsion, greater than the bulk value of unity, and increases with decrease of the crystal cross section or n. This ratio tends toward unity in the hard sphere limit of infinite n. Both be/ and ae/ , with the bulk separation , are less than one, increase with increase of the crystal cross section or n, and are independent of A if this is independent of structure. The structural dependence of A increases its value with a decreasing crystal cross section rendering closer to unity the ratios ae/be, be/ , and ae/ . Energy gains on relaxing the crystal toward equilibrium from its bulk separations decrease with increase of the crystal cross section or n, being about 60 kJ/mol for a one-dimensional chain with n = 6 but 0.5 kJ/mol for m1 = m2 = 4 with n = 12. The energy gained on relaxing to a structure with ae/be constrained at unity is about 10 times greater than the further energy gains consequent on removing this constraint. The present theory neglecting the interaction between ions and the encapsulating nanotube explains the experimentally measured be/ ratios. The observation that the ae/ values are greater than one shows that ion−wall interactions are important in determining the values of ae." @default.
• W2003158805 created "2016-06-24" @default.
• W2003158805 creator A5035841395 @default.
• W2003158805 creator A5055301479 @default.
• W2003158805 date "2006-03-01" @default.
• W2003158805 modified "2023-09-24" @default.
• W2003158805 title "Fundamental Global Model for the Structures and Energetics of Nanocrystalline Ionic Solids" @default.
• W2003158805 cites W1971987656 @default.
• W2003158805 cites W1982740175 @default.
• W2003158805 cites W1984600163 @default.
• W2003158805 cites W1984724172 @default.
• W2003158805 cites W1998290979 @default.
• W2003158805 cites W2006653901 @default.
• W2003158805 cites W2009356898 @default.
• W2003158805 cites W2022835283 @default.
• W2003158805 cites W2030601662 @default.
• W2003158805 cites W2041554643 @default.
• W2003158805 cites W2043316095 @default.
• W2003158805 cites W2043462743 @default.
• W2003158805 cites W2048481045 @default.
• W2003158805 cites W2050685948 @default.
• W2003158805 cites W2051407602 @default.
• W2003158805 cites W2054487798 @default.
• W2003158805 cites W2058176354 @default.
• W2003158805 cites W2062496590 @default.
• W2003158805 cites W2062943578 @default.
• W2003158805 cites W2076010732 @default.
• W2003158805 cites W2076541227 @default.
• W2003158805 cites W2100979484 @default.
• W2003158805 cites W2105564187 @default.
• W2003158805 cites W2953122460 @default.
• W2003158805 doi "https://doi.org/10.1021/jp055800g" @default.
• W2003158805 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16553401" @default.
• W2003158805 hasPublicationYear "2006" @default.
• W2003158805 type Work @default.
• W2003158805 sameAs 2003158805 @default.
• W2003158805 citedByCount "12" @default.
• W2003158805 countsByYear W20031588052012 @default.
• W2003158805 countsByYear W20031588052018 @default.
• W2003158805 crossrefType "journal-article" @default.
• W2003158805 hasAuthorship W2003158805A5035841395 @default.
• W2003158805 hasAuthorship W2003158805A5055301479 @default.
• W2003158805 hasConcept C115624301 @default.
• W2003158805 hasConcept C121332964 @default.
• W2003158805 hasConcept C140676511 @default.
• W2003158805 hasConcept C145148216 @default.
• W2003158805 hasConcept C159467904 @default.
• W2003158805 hasConcept C178790620 @default.
• W2003158805 hasConcept C185592680 @default.
• W2003158805 hasConcept C198091228 @default.
• W2003158805 hasConcept C199360897 @default.
• W2003158805 hasConcept C2182769 @default.
• W2003158805 hasConcept C2781285689 @default.
• W2003158805 hasConcept C41008148 @default.
• W2003158805 hasConcept C8010536 @default.
• W2003158805 hasConcept C97355855 @default.
• W2003158805 hasConcept C97514900 @default.
• W2003158805 hasConceptScore W2003158805C115624301 @default.
• W2003158805 hasConceptScore W2003158805C121332964 @default.
• W2003158805 hasConceptScore W2003158805C140676511 @default.
• W2003158805 hasConceptScore W2003158805C145148216 @default.
• W2003158805 hasConceptScore W2003158805C159467904 @default.
• W2003158805 hasConceptScore W2003158805C178790620 @default.
• W2003158805 hasConceptScore W2003158805C185592680 @default.
• W2003158805 hasConceptScore W2003158805C198091228 @default.
• W2003158805 hasConceptScore W2003158805C199360897 @default.
• W2003158805 hasConceptScore W2003158805C2182769 @default.
• W2003158805 hasConceptScore W2003158805C2781285689 @default.
• W2003158805 hasConceptScore W2003158805C41008148 @default.
• W2003158805 hasConceptScore W2003158805C8010536 @default.
• W2003158805 hasConceptScore W2003158805C97355855 @default.
• W2003158805 hasConceptScore W2003158805C97514900 @default.
• W2003158805 hasIssue "12" @default.
• W2003158805 hasLocation W20031588051 @default.
• W2003158805 hasLocation W20031588052 @default.
• W2003158805 hasOpenAccess W2003158805 @default.
• W2003158805 hasPrimaryLocation W20031588051 @default.
• W2003158805 hasRelatedWork W1995904406 @default.
• W2003158805 hasRelatedWork W2033278446 @default.
• W2003158805 hasRelatedWork W2061529429 @default.
• W2003158805 hasRelatedWork W2081598578 @default.
• W2003158805 hasRelatedWork W2158593935 @default.
• W2003158805 hasRelatedWork W2159319742 @default.
• W2003158805 hasRelatedWork W2346305128 @default.
• W2003158805 hasRelatedWork W2801294014 @default.
• W2003158805 hasRelatedWork W381926892 @default.
• W2003158805 hasRelatedWork W4312224434 @default.
• W2003158805 hasVolume "110" @default.
• W2003158805 isParatext "false" @default.
• W2003158805 isRetracted "false" @default.
• W2003158805 magId "2003158805" @default.
• W2003158805 workType "article" @default.