FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387574657> ?p ?o ?g. }

• W4387574657 abstract "Structural, electronic, and thermoelectric properties of bridging OH b and terminal OH t groups adsorbed on stoichiometric SnO 2 (110) surfaces have been investigated using density functional theory and semiclassical Boltzmann transport theory with effective core pseudopotential implemented in CRYSTAL17 program. Our results indicate that H and OH yield significant structural relaxation around the adsorption sites O 2c and Sn 5c . The results have shown that the absolute value of adsorption energy increases with decreasing the coverage from 1 to 1/4 monolayer. Mulliken charge analysis, band structures, and density of states were calculated and discussed. We found that H and OH adsorption increases the band gap energy from 2.81 eV for clean surfaces to 3.04, 2.95, and 2.89 eV with, respectively, 1, 1/2 and 1/4 monolayer surface coverages. Thermoelectric properties revealed that the presence of hydroxyl groups on the SnO 2 (110) surfaces may enhance the Seebeck coefficient, electrical conductivity, and electronic thermal conductivity." @default.
• W4387574657 created "2023-10-13" @default.
• W4387574657 creator A5012355855 @default.
• W4387574657 creator A5017960795 @default.
• W4387574657 creator A5066321226 @default.
• W4387574657 creator A5093050777 @default.
• W4387574657 date "2023-10-10" @default.
• W4387574657 modified "2023-10-13" @default.
• W4387574657 title "Structural, electronic, and thermoelectric properties of hydroxyl groups adsorption on SnO₂ (110) surface: A first‐principles study" @default.
• W4387574657 cites W1487652419 @default.
• W4387574657 cites W1494116259 @default.
• W4387574657 cites W1497310764 @default.
• W4387574657 cites W1971014954 @default.
• W4387574657 cites W1971492449 @default.
• W4387574657 cites W1977846138 @default.
• W4387574657 cites W1985961039 @default.
• W4387574657 cites W2011661849 @default.
• W4387574657 cites W2012846261 @default.
• W4387574657 cites W2013891731 @default.
• W4387574657 cites W2016276578 @default.
• W4387574657 cites W2023271753 @default.
• W4387574657 cites W2023330506 @default.
• W4387574657 cites W2024778328 @default.
• W4387574657 cites W2025020824 @default.
• W4387574657 cites W2036791313 @default.
• W4387574657 cites W2037559126 @default.
• W4387574657 cites W2040179790 @default.
• W4387574657 cites W2041205942 @default.
• W4387574657 cites W2043862025 @default.
• W4387574657 cites W2056876208 @default.
• W4387574657 cites W2068341175 @default.
• W4387574657 cites W2073231716 @default.
• W4387574657 cites W2076305052 @default.
• W4387574657 cites W2084262266 @default.
• W4387574657 cites W2088601037 @default.
• W4387574657 cites W2143981217 @default.
• W4387574657 cites W2148596493 @default.
• W4387574657 cites W2154880048 @default.
• W4387574657 cites W2333149233 @default.
• W4387574657 cites W2549261422 @default.
• W4387574657 cites W2604409304 @default.
• W4387574657 cites W2667956060 @default.
• W4387574657 cites W2766924165 @default.
• W4387574657 cites W2887811970 @default.
• W4387574657 cites W3106181217 @default.
• W4387574657 cites W3126489913 @default.
• W4387574657 cites W3163256929 @default.
• W4387574657 cites W599100407 @default.
• W4387574657 doi "https://doi.org/10.1002/sia.7261" @default.
• W4387574657 hasPublicationYear "2023" @default.
• W4387574657 type Work @default.
• W4387574657 citedByCount "0" @default.
• W4387574657 crossrefType "journal-article" @default.
• W4387574657 hasAuthorship W4387574657A5012355855 @default.
• W4387574657 hasAuthorship W4387574657A5017960795 @default.
• W4387574657 hasAuthorship W4387574657A5066321226 @default.
• W4387574657 hasAuthorship W4387574657A5093050777 @default.
• W4387574657 hasConcept C112625512 @default.
• W4387574657 hasConcept C113196181 @default.
• W4387574657 hasConcept C121332964 @default.
• W4387574657 hasConcept C132378524 @default.
• W4387574657 hasConcept C147597530 @default.
• W4387574657 hasConcept C147789679 @default.
• W4387574657 hasConcept C150394285 @default.
• W4387574657 hasConcept C152365726 @default.
• W4387574657 hasConcept C171250308 @default.
• W4387574657 hasConcept C178790620 @default.
• W4387574657 hasConcept C181966813 @default.
• W4387574657 hasConcept C185592680 @default.
• W4387574657 hasConcept C192562407 @default.
• W4387574657 hasConcept C26873012 @default.
• W4387574657 hasConcept C49040817 @default.
• W4387574657 hasConcept C53964469 @default.
• W4387574657 hasConcept C63024428 @default.
• W4387574657 hasConcept C7070889 @default.
• W4387574657 hasConcept C7214806 @default.
• W4387574657 hasConcept C97355855 @default.
• W4387574657 hasConceptScore W4387574657C112625512 @default.
• W4387574657 hasConceptScore W4387574657C113196181 @default.
• W4387574657 hasConceptScore W4387574657C121332964 @default.
• W4387574657 hasConceptScore W4387574657C132378524 @default.
• W4387574657 hasConceptScore W4387574657C147597530 @default.
• W4387574657 hasConceptScore W4387574657C147789679 @default.
• W4387574657 hasConceptScore W4387574657C150394285 @default.
• W4387574657 hasConceptScore W4387574657C152365726 @default.
• W4387574657 hasConceptScore W4387574657C171250308 @default.
• W4387574657 hasConceptScore W4387574657C178790620 @default.
• W4387574657 hasConceptScore W4387574657C181966813 @default.
• W4387574657 hasConceptScore W4387574657C185592680 @default.
• W4387574657 hasConceptScore W4387574657C192562407 @default.
• W4387574657 hasConceptScore W4387574657C26873012 @default.
• W4387574657 hasConceptScore W4387574657C49040817 @default.
• W4387574657 hasConceptScore W4387574657C53964469 @default.
• W4387574657 hasConceptScore W4387574657C63024428 @default.
• W4387574657 hasConceptScore W4387574657C7070889 @default.
• W4387574657 hasConceptScore W4387574657C7214806 @default.
• W4387574657 hasConceptScore W4387574657C97355855 @default.
• W4387574657 hasLocation W43875746571 @default.
• W4387574657 hasOpenAccess W4387574657 @default.
• W4387574657 hasPrimaryLocation W43875746571 @default.

• next