FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2025052510> ?p ?o ?g. }

• W2025052510 abstract "We report first-principle total-energy calculations that provide stable and metastable geometries and diffusion mechanisms of boron in ${mathrm{SiO}}_{2}$ with point defects which contain O vacancies and O interstitials. We find that a B atom forms various stable and metastable geometries in ${mathrm{SiO}}_{2}$ with point defects, depending on its charge state and surrounding environments. We also perform calculations that clarify the chemical feasibility of bonding configurations between a B atom and constituent atoms in ${mathrm{SiO}}_{2}.$ It is found that wave function distribution around the impurity and its occupation are essential to determine the geometry for each charge state. Binding energies of a B atom with constituent atoms in ${mathrm{SiO}}_{2}$ are decisive factors to the bond configuration around the B atom. In the case of B in ${mathrm{SiO}}_{2}$ with an O interstitial, a B atom forms a very stable B-O complex in which the B atom is bound to the O interstitial. Once the B-O complex is formed, the B atom diffuses via the ${mathrm{SiO}}_{2}$ network keeping this B-O unit with unexpectedly small activation energies of 2.1--2.3 eV. The calculated activation energies agree well with the data experimentally available." @default.
• W2025052510 created "2016-06-24" @default.
• W2025052510 creator A5029062859 @default.
• W2025052510 creator A5035293042 @default.
• W2025052510 creator A5084854658 @default.
• W2025052510 date "2003-11-21" @default.
• W2025052510 modified "2023-10-09" @default.
• W2025052510 title "First-principles calculations of boron-related defects in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>SiO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
• W2025052510 cites W1963860569 @default.
• W2025052510 cites W1964699504 @default.
• W2025052510 cites W1965316209 @default.
• W2025052510 cites W1967772839 @default.
• W2025052510 cites W1967945586 @default.
• W2025052510 cites W1972382242 @default.
• W2025052510 cites W1977935904 @default.
• W2025052510 cites W1981368803 @default.
• W2025052510 cites W1982008340 @default.
• W2025052510 cites W1999162961 @default.
• W2025052510 cites W2013594662 @default.
• W2025052510 cites W2016659220 @default.
• W2025052510 cites W2022937698 @default.
• W2025052510 cites W2023569208 @default.
• W2025052510 cites W2030823655 @default.
• W2025052510 cites W2034485258 @default.
• W2025052510 cites W2035562463 @default.
• W2025052510 cites W2037196304 @default.
• W2025052510 cites W2037491499 @default.
• W2025052510 cites W2040782295 @default.
• W2025052510 cites W2042441561 @default.
• W2025052510 cites W2043404781 @default.
• W2025052510 cites W2045596260 @default.
• W2025052510 cites W2047014215 @default.
• W2025052510 cites W2063542261 @default.
• W2025052510 cites W2065413900 @default.
• W2025052510 cites W2073158391 @default.
• W2025052510 cites W2077994487 @default.
• W2025052510 cites W2082282652 @default.
• W2025052510 cites W2085698034 @default.
• W2025052510 cites W2087585288 @default.
• W2025052510 cites W2088583979 @default.
• W2025052510 cites W2090953414 @default.
• W2025052510 cites W2108903576 @default.
• W2025052510 cites W2117894566 @default.
• W2025052510 cites W2132432734 @default.
• W2025052510 cites W2168341557 @default.
• W2025052510 doi "https://doi.org/10.1103/physrevb.68.184112" @default.
• W2025052510 hasPublicationYear "2003" @default.
• W2025052510 type Work @default.
• W2025052510 sameAs 2025052510 @default.
• W2025052510 citedByCount "22" @default.
• W2025052510 countsByYear W20250525102012 @default.
• W2025052510 countsByYear W20250525102013 @default.
• W2025052510 countsByYear W20250525102014 @default.
• W2025052510 countsByYear W20250525102018 @default.
• W2025052510 crossrefType "journal-article" @default.
• W2025052510 hasAuthorship W2025052510A5029062859 @default.
• W2025052510 hasAuthorship W2025052510A5035293042 @default.
• W2025052510 hasAuthorship W2025052510A5084854658 @default.
• W2025052510 hasConcept C121332964 @default.
• W2025052510 hasConcept C149635348 @default.
• W2025052510 hasConcept C164675345 @default.
• W2025052510 hasConcept C184779094 @default.
• W2025052510 hasConcept C185544564 @default.
• W2025052510 hasConcept C185592680 @default.
• W2025052510 hasConcept C188082385 @default.
• W2025052510 hasConcept C192562407 @default.
• W2025052510 hasConcept C41008148 @default.
• W2025052510 hasConcept C501308230 @default.
• W2025052510 hasConcept C58312451 @default.
• W2025052510 hasConcept C62520636 @default.
• W2025052510 hasConcept C69357855 @default.
• W2025052510 hasConcept C8010536 @default.
• W2025052510 hasConcept C89464430 @default.
• W2025052510 hasConcept C93282013 @default.
• W2025052510 hasConcept C97355855 @default.
• W2025052510 hasConceptScore W2025052510C121332964 @default.
• W2025052510 hasConceptScore W2025052510C149635348 @default.
• W2025052510 hasConceptScore W2025052510C164675345 @default.
• W2025052510 hasConceptScore W2025052510C184779094 @default.
• W2025052510 hasConceptScore W2025052510C185544564 @default.
• W2025052510 hasConceptScore W2025052510C185592680 @default.
• W2025052510 hasConceptScore W2025052510C188082385 @default.
• W2025052510 hasConceptScore W2025052510C192562407 @default.
• W2025052510 hasConceptScore W2025052510C41008148 @default.
• W2025052510 hasConceptScore W2025052510C501308230 @default.
• W2025052510 hasConceptScore W2025052510C58312451 @default.
• W2025052510 hasConceptScore W2025052510C62520636 @default.
• W2025052510 hasConceptScore W2025052510C69357855 @default.
• W2025052510 hasConceptScore W2025052510C8010536 @default.
• W2025052510 hasConceptScore W2025052510C89464430 @default.
• W2025052510 hasConceptScore W2025052510C93282013 @default.
• W2025052510 hasConceptScore W2025052510C97355855 @default.
• W2025052510 hasIssue "18" @default.
• W2025052510 hasLocation W20250525101 @default.
• W2025052510 hasOpenAccess W2025052510 @default.
• W2025052510 hasPrimaryLocation W20250525101 @default.
• W2025052510 hasRelatedWork W1541563148 @default.
• W2025052510 hasRelatedWork W1566727297 @default.
• W2025052510 hasRelatedWork W1992748572 @default.
• W2025052510 hasRelatedWork W2084016744 @default.

• next