FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2971236852> ?p ?o ?g. }

• W2971236852 abstract "Abstract In this work, a series of eight different bipolar molecules were designed and calculated using density functional theory (DFT) and time‐dependent functional theory (TD‐DFT) for organic light emitting diodes (OLEDs) as efficient luminescent and charge transfer materials. The eight donor‐π‐donor type small molecules (D1‐D8) were composed of triphenylamine (TPA) donor (D) unit connected to 1,8‐naphthalimides (NI) acceptor (A) unit though different π ‐conjugated or R‐groups (as π ‐spacer). The effect of substitutions made in π‐spacer was investigated on optical, electronic, and stability properties. This calculation analysis showed that different substitutions in π‐spacer resulted smaller Eg (range from 1.63 to 2.00 eV), broader absorption with the lowest excitation energy covering both visible and near infrared regions of solar spectrum, especially D3, D4, D5, and D6 molecules. The analyses of local densities of states, frontier molecular orbitals, and natural population analysis of orbitals revealed that studied molecules exhibited π‐π* electronic transitions of absorption in singlet excited states, but D5 and D6 also show intramolecular charge transfer (ICT) characteristics. The study of chemical indices, molecular electrostatic potential (MEP) surfaces, and charge transfer properties turned out that D4, D5, and D6 are expected to show good potential for luminescent and hole transport materials in the favor of OLEDs." @default.
• W2971236852 created "2019-09-05" @default.
• W2971236852 creator A5011967690 @default.
• W2971236852 creator A5014478288 @default.
• W2971236852 creator A5016189883 @default.
• W2971236852 creator A5034955928 @default.
• W2971236852 creator A5037512629 @default.
• W2971236852 creator A5068941061 @default.
• W2971236852 creator A5080585392 @default.
• W2971236852 creator A5089028282 @default.
• W2971236852 date "2019-08-30" @default.
• W2971236852 modified "2023-10-18" @default.
• W2971236852 title "Substitutional effect of different bridging groups on optical and charge transfer properties of small bipolar molecules for OLEDs" @default.
• W2971236852 cites W147939656 @default.
• W2971236852 cites W1963702285 @default.
• W2971236852 cites W1977623363 @default.
• W2971236852 cites W1982151759 @default.
• W2971236852 cites W1984335894 @default.
• W2971236852 cites W2004700419 @default.
• W2971236852 cites W2006546672 @default.
• W2971236852 cites W2018161704 @default.
• W2971236852 cites W2041169654 @default.
• W2971236852 cites W2046541338 @default.
• W2971236852 cites W2048240882 @default.
• W2971236852 cites W2056537004 @default.
• W2971236852 cites W2068302751 @default.
• W2971236852 cites W2077188122 @default.
• W2971236852 cites W2079000803 @default.
• W2971236852 cites W2084507130 @default.
• W2971236852 cites W2091237955 @default.
• W2971236852 cites W2104266572 @default.
• W2971236852 cites W2106088447 @default.
• W2971236852 cites W2106824077 @default.
• W2971236852 cites W2144987627 @default.
• W2971236852 cites W2152883158 @default.
• W2971236852 cites W2339283864 @default.
• W2971236852 cites W2468954610 @default.
• W2971236852 cites W2575547718 @default.
• W2971236852 cites W2739531637 @default.
• W2971236852 cites W2752178708 @default.
• W2971236852 cites W2770865923 @default.
• W2971236852 cites W3021518424 @default.
• W2971236852 cites W4235358615 @default.
• W2971236852 doi "https://doi.org/10.1002/poc.4000" @default.
• W2971236852 hasPublicationYear "2019" @default.
• W2971236852 type Work @default.
• W2971236852 sameAs 2971236852 @default.
• W2971236852 citedByCount "3" @default.
• W2971236852 countsByYear W29712368522021 @default.
• W2971236852 countsByYear W29712368522022 @default.
• W2971236852 countsByYear W29712368522023 @default.
• W2971236852 crossrefType "journal-article" @default.
• W2971236852 hasAuthorship W2971236852A5011967690 @default.
• W2971236852 hasAuthorship W2971236852A5014478288 @default.
• W2971236852 hasAuthorship W2971236852A5016189883 @default.
• W2971236852 hasAuthorship W2971236852A5034955928 @default.
• W2971236852 hasAuthorship W2971236852A5037512629 @default.
• W2971236852 hasAuthorship W2971236852A5068941061 @default.
• W2971236852 hasAuthorship W2971236852A5080585392 @default.
• W2971236852 hasAuthorship W2971236852A5089028282 @default.
• W2971236852 hasConcept C119824511 @default.
• W2971236852 hasConcept C121332964 @default.
• W2971236852 hasConcept C139358910 @default.
• W2971236852 hasConcept C14158195 @default.
• W2971236852 hasConcept C147597530 @default.
• W2971236852 hasConcept C150759737 @default.
• W2971236852 hasConcept C152365726 @default.
• W2971236852 hasConcept C178790620 @default.
• W2971236852 hasConcept C181500209 @default.
• W2971236852 hasConcept C184779094 @default.
• W2971236852 hasConcept C185592680 @default.
• W2971236852 hasConcept C20853536 @default.
• W2971236852 hasConcept C26873012 @default.
• W2971236852 hasConcept C2777937544 @default.
• W2971236852 hasConcept C2779227376 @default.
• W2971236852 hasConcept C2779892579 @default.
• W2971236852 hasConcept C32909587 @default.
• W2971236852 hasConcept C33062035 @default.
• W2971236852 hasConcept C62520636 @default.
• W2971236852 hasConcept C71240020 @default.
• W2971236852 hasConcept C75079739 @default.
• W2971236852 hasConcept C75473681 @default.
• W2971236852 hasConceptScore W2971236852C119824511 @default.
• W2971236852 hasConceptScore W2971236852C121332964 @default.
• W2971236852 hasConceptScore W2971236852C139358910 @default.
• W2971236852 hasConceptScore W2971236852C14158195 @default.
• W2971236852 hasConceptScore W2971236852C147597530 @default.
• W2971236852 hasConceptScore W2971236852C150759737 @default.
• W2971236852 hasConceptScore W2971236852C152365726 @default.
• W2971236852 hasConceptScore W2971236852C178790620 @default.
• W2971236852 hasConceptScore W2971236852C181500209 @default.
• W2971236852 hasConceptScore W2971236852C184779094 @default.
• W2971236852 hasConceptScore W2971236852C185592680 @default.
• W2971236852 hasConceptScore W2971236852C20853536 @default.
• W2971236852 hasConceptScore W2971236852C26873012 @default.
• W2971236852 hasConceptScore W2971236852C2777937544 @default.
• W2971236852 hasConceptScore W2971236852C2779227376 @default.
• W2971236852 hasConceptScore W2971236852C2779892579 @default.
• W2971236852 hasConceptScore W2971236852C32909587 @default.
• W2971236852 hasConceptScore W2971236852C33062035 @default.

• next