FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3091252630> ?p ?o ?g. }

• W3091252630 endingPage "427" @default.
• W3091252630 startingPage "420" @default.
• W3091252630 abstract "Based on density functional theory (DFT), the effects of scandium (Sc) doping and oxygen vacancy (V O ) on the electronic states and optical properties of monoclinic BiVO 4 (m-BiVO 4 ) are investigated. The generalized gradient approximation plus U (GGA+U) method is adopted during the calculation of the electronic properties to compensate for the limitations of the DFT method. The ideal m-BiVO 4 has a direct band gap of 2.400 eV, and if Bi in m-BiVO 4 is substituted by Sc (sub Sc-Bi ), the direct band gap will be reduced to 2.393 eV. However, if V is replaced by Sc (sub Sc-V ) as well as oxygen vacancy induced (sub Sc–V +V O ), the band gap will become indirect with values of 1.913 and 2.198 eV, respectively. The reduction capability is in the sequence of sub Sc–Bi > ideal > sub Sc–V +V O > sub Sc–V , while the oxidation capability is in the order of ideal > sub Sc–Bi > sub Sc–V +V O > sub Sc–V . The ε 1 (0) of the ideal, sub Sc–Bi , sub Sc–V , and sub Sc–V +V O defective m-BiVO 4 are 8.290, 8.293, 12.791, and 8.285, respectively. The optical absorptions of ideal and sub Sc–Bi m-BiVO 4 show anisotropy and they are nearly independent of the defect concentration. Sub Sc–V m-BiVO 4 exhibits stronger absorption than the other three semiconductors. The absorptions of sub Sc–V +V O m-BiVO 4 vary widely with the defect concentrations, where 3.906% defect concentration of m-BiVO 4 has the strongest absorption. The estimated optical band gaps [Formula: see text] are smaller than E g for ideal and defective m-BiVO 4 ." @default.
• W3091252630 created "2020-10-08" @default.
• W3091252630 creator A5004299785 @default.
• W3091252630 creator A5014030303 @default.
• W3091252630 creator A5026526553 @default.
• W3091252630 creator A5071237688 @default.
• W3091252630 creator A5079156452 @default.
• W3091252630 creator A5080972967 @default.
• W3091252630 date "2021-06-01" @default.
• W3091252630 modified "2023-09-25" @default.
• W3091252630 title "The effects of Sc doping and O vacancy on the electronic states and optical properties of m-BiVO₄" @default.
• W3091252630 cites W1043576204 @default.
• W3091252630 cites W1886760183 @default.
• W3091252630 cites W1967082620 @default.
• W3091252630 cites W1978676817 @default.
• W3091252630 cites W1981368803 @default.
• W3091252630 cites W1984718127 @default.
• W3091252630 cites W1987578904 @default.
• W3091252630 cites W1987745857 @default.
• W3091252630 cites W1993943081 @default.
• W3091252630 cites W2016325227 @default.
• W3091252630 cites W2019371148 @default.
• W3091252630 cites W2029947915 @default.
• W3091252630 cites W2040875144 @default.
• W3091252630 cites W2041721284 @default.
• W3091252630 cites W2042492216 @default.
• W3091252630 cites W2062898539 @default.
• W3091252630 cites W2076294377 @default.
• W3091252630 cites W2079662359 @default.
• W3091252630 cites W2081095349 @default.
• W3091252630 cites W2081171390 @default.
• W3091252630 cites W2085600314 @default.
• W3091252630 cites W2085611686 @default.
• W3091252630 cites W2087621800 @default.
• W3091252630 cites W2095570804 @default.
• W3091252630 cites W2099595532 @default.
• W3091252630 cites W2162161220 @default.
• W3091252630 cites W2166244948 @default.
• W3091252630 cites W2169898240 @default.
• W3091252630 cites W2312297470 @default.
• W3091252630 cites W2511517681 @default.
• W3091252630 cites W2598864340 @default.
• W3091252630 cites W2606946352 @default.
• W3091252630 cites W2791442545 @default.
• W3091252630 cites W2804642864 @default.
• W3091252630 cites W2811234689 @default.
• W3091252630 cites W3033426529 @default.
• W3091252630 cites W4206741864 @default.
• W3091252630 doi "https://doi.org/10.1139/cjp-2020-0284" @default.
• W3091252630 hasPublicationYear "2021" @default.
• W3091252630 type Work @default.
• W3091252630 sameAs 3091252630 @default.
• W3091252630 citedByCount "0" @default.
• W3091252630 crossrefType "journal-article" @default.
• W3091252630 hasAuthorship W3091252630A5004299785 @default.
• W3091252630 hasAuthorship W3091252630A5014030303 @default.
• W3091252630 hasAuthorship W3091252630A5026526553 @default.
• W3091252630 hasAuthorship W3091252630A5071237688 @default.
• W3091252630 hasAuthorship W3091252630A5079156452 @default.
• W3091252630 hasAuthorship W3091252630A5080972967 @default.
• W3091252630 hasConcept C108225325 @default.
• W3091252630 hasConcept C111472728 @default.
• W3091252630 hasConcept C114221277 @default.
• W3091252630 hasConcept C121332964 @default.
• W3091252630 hasConcept C138885662 @default.
• W3091252630 hasConcept C152365726 @default.
• W3091252630 hasConcept C181966813 @default.
• W3091252630 hasConcept C184779094 @default.
• W3091252630 hasConcept C185592680 @default.
• W3091252630 hasConcept C22693506 @default.
• W3091252630 hasConcept C26873012 @default.
• W3091252630 hasConcept C2776639384 @default.
• W3091252630 hasConcept C49040817 @default.
• W3091252630 hasConcept C57863236 @default.
• W3091252630 hasConcept C62520636 @default.
• W3091252630 hasConcept C8010536 @default.
• W3091252630 hasConceptScore W3091252630C108225325 @default.
• W3091252630 hasConceptScore W3091252630C111472728 @default.
• W3091252630 hasConceptScore W3091252630C114221277 @default.
• W3091252630 hasConceptScore W3091252630C121332964 @default.
• W3091252630 hasConceptScore W3091252630C138885662 @default.
• W3091252630 hasConceptScore W3091252630C152365726 @default.
• W3091252630 hasConceptScore W3091252630C181966813 @default.
• W3091252630 hasConceptScore W3091252630C184779094 @default.
• W3091252630 hasConceptScore W3091252630C185592680 @default.
• W3091252630 hasConceptScore W3091252630C22693506 @default.
• W3091252630 hasConceptScore W3091252630C26873012 @default.
• W3091252630 hasConceptScore W3091252630C2776639384 @default.
• W3091252630 hasConceptScore W3091252630C49040817 @default.
• W3091252630 hasConceptScore W3091252630C57863236 @default.
• W3091252630 hasConceptScore W3091252630C62520636 @default.
• W3091252630 hasConceptScore W3091252630C8010536 @default.
• W3091252630 hasIssue "6" @default.
• W3091252630 hasLocation W30912526301 @default.
• W3091252630 hasOpenAccess W3091252630 @default.
• W3091252630 hasPrimaryLocation W30912526301 @default.
• W3091252630 hasRelatedWork W1549202015 @default.
• W3091252630 hasRelatedWork W1608922067 @default.

• next