Matches in SemOpenAlex for { <https://semopenalex.org/work/W4229077515> ?p ?o ?g. }
- W4229077515 abstract "Abstract In this study, a series of tetrafluoroborates with non‐ π ‐conjugated [BF 4 ] tetrahedra are investigated systematically by first‐principles calculations. Theoretical studies demonstrate that tetrafluoroborates with alkali and/or alkaline‐earth metals are more favorable for deep‐ultraviolet transmission and are comparable to the classical deep‐ultraviolet (deep‐UV) material, MgF 2 . Furthermore, bandgap decrease with the increasing of ionic radii in alkali and/or alkaline‐earth metals. Introducing highly polarizable cations with d 10 ‐configuration or cations with lone pair electrons into the structure will decrease the bandgaps. The birefringence and second harmonic generation effects are not large enough in tetrafluoroborates because polarizability anisotropy and hyperpolarizability in non‐ π ‐conjugated [BF 4 ] tetrahedra are much smaller than those in π ‐conjugated groups. However, the second harmonic generation effect for [BF 4 ] tetrahedra has a higher contribution in comparison with that due to birefringence. To effectively synthesize the borate fluorides or fluorooxoborates in the deep‐UV region, raw materials with B−F bonds are preferred." @default.
- W4229077515 created "2022-05-08" @default.
- W4229077515 creator A5029207520 @default.
- W4229077515 creator A5036258705 @default.
- W4229077515 creator A5036524439 @default.
- W4229077515 creator A5055568340 @default.
- W4229077515 date "2022-06-09" @default.
- W4229077515 modified "2023-10-12" @default.
- W4229077515 title "A Theoretical Perspective to Study the Optical Properties of Tetrafluoroborates" @default.
- W4229077515 cites W1508217084 @default.
- W4229077515 cites W1517893378 @default.
- W4229077515 cites W1963983173 @default.
- W4229077515 cites W1965154772 @default.
- W4229077515 cites W1970403099 @default.
- W4229077515 cites W1976738135 @default.
- W4229077515 cites W1978050056 @default.
- W4229077515 cites W1979358441 @default.
- W4229077515 cites W1981368803 @default.
- W4229077515 cites W1981584832 @default.
- W4229077515 cites W1983226062 @default.
- W4229077515 cites W1987796574 @default.
- W4229077515 cites W1988778656 @default.
- W4229077515 cites W1996391166 @default.
- W4229077515 cites W2002453328 @default.
- W4229077515 cites W2009479629 @default.
- W4229077515 cites W2009683033 @default.
- W4229077515 cites W2010653489 @default.
- W4229077515 cites W2013465150 @default.
- W4229077515 cites W2014094922 @default.
- W4229077515 cites W2015894699 @default.
- W4229077515 cites W2016325227 @default.
- W4229077515 cites W2025591617 @default.
- W4229077515 cites W2036801653 @default.
- W4229077515 cites W2051525935 @default.
- W4229077515 cites W2057401876 @default.
- W4229077515 cites W2058323916 @default.
- W4229077515 cites W2059887530 @default.
- W4229077515 cites W2070802487 @default.
- W4229077515 cites W2089123655 @default.
- W4229077515 cites W2094798895 @default.
- W4229077515 cites W2107141326 @default.
- W4229077515 cites W2110982251 @default.
- W4229077515 cites W2126745954 @default.
- W4229077515 cites W2135501441 @default.
- W4229077515 cites W2146975690 @default.
- W4229077515 cites W2148062424 @default.
- W4229077515 cites W2149295561 @default.
- W4229077515 cites W2159752439 @default.
- W4229077515 cites W2180078753 @default.
- W4229077515 cites W2471047469 @default.
- W4229077515 cites W2565888078 @default.
- W4229077515 cites W2592339122 @default.
- W4229077515 cites W2597653974 @default.
- W4229077515 cites W2739026302 @default.
- W4229077515 cites W2753980310 @default.
- W4229077515 cites W2783282960 @default.
- W4229077515 cites W2790968295 @default.
- W4229077515 cites W2793762877 @default.
- W4229077515 cites W2796158698 @default.
- W4229077515 cites W2807959660 @default.
- W4229077515 cites W2810396821 @default.
- W4229077515 cites W2900348438 @default.
- W4229077515 cites W2915638214 @default.
- W4229077515 cites W2949837631 @default.
- W4229077515 cites W2995904655 @default.
- W4229077515 cites W3080597133 @default.
- W4229077515 cites W3111165386 @default.
- W4229077515 cites W3152638556 @default.
- W4229077515 cites W3163057170 @default.
- W4229077515 cites W3164230548 @default.
- W4229077515 cites W3175995403 @default.
- W4229077515 cites W4200475350 @default.
- W4229077515 cites W4229766111 @default.
- W4229077515 cites W4230457417 @default.
- W4229077515 cites W4233901914 @default.
- W4229077515 cites W4246497097 @default.
- W4229077515 cites W4250105254 @default.
- W4229077515 cites W4252313856 @default.
- W4229077515 cites W584203483 @default.
- W4229077515 doi "https://doi.org/10.1002/cphc.202200205" @default.
- W4229077515 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35524646" @default.
- W4229077515 hasPublicationYear "2022" @default.
- W4229077515 type Work @default.
- W4229077515 citedByCount "0" @default.
- W4229077515 crossrefType "journal-article" @default.
- W4229077515 hasAuthorship W4229077515A5029207520 @default.
- W4229077515 hasAuthorship W4229077515A5036258705 @default.
- W4229077515 hasAuthorship W4229077515A5036524439 @default.
- W4229077515 hasAuthorship W4229077515A5055568340 @default.
- W4229077515 hasConcept C105239961 @default.
- W4229077515 hasConcept C112613896 @default.
- W4229077515 hasConcept C120665830 @default.
- W4229077515 hasConcept C121332964 @default.
- W4229077515 hasConcept C125743686 @default.
- W4229077515 hasConcept C139287275 @default.
- W4229077515 hasConcept C145148216 @default.
- W4229077515 hasConcept C159467904 @default.
- W4229077515 hasConcept C178790620 @default.
- W4229077515 hasConcept C179104552 @default.
- W4229077515 hasConcept C181966813 @default.