{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Kang S"],"funding":["National Research Foundation of Korea"],"pagination":["27807-27816"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9070764"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["9(48)"],"pubmed_abstract":["Charge transport and electronic transition properties of a series of newly designed anthracene-based non-doped blue emitters were investigated by density functional theory calculations. For a highly efficient non-doped device, Cz3PhAn-based emitters were designed to suppress the hole and electron reorganization energies required for structural relaxation with respect to the changes of charged states. As a result, the hole hopping rates of triphenylamine (TPA) and phenylbenzimidazole (PBI) substituted Cz3PhAn derivatives (1, 4, and 5-7) were tremendously enhanced as compared to that of Cz3PhAn due to the suppression of the reorganization energy of holes, <i>λ</i> <sub>h</sub>. Moreover, 1 and 4 emitters showed almost identical hopping rates of holes and electrons, which can possibly lead to"],"journal":["RSC advances"],"pubmed_title":["Design of efficient non-doped blue emitters: toward the improvement of charge transport."],"pmcid":["PMC9070764"],"funding_grant_id":["2019R1H1A2080067","2019R1F1A1061080"],"pubmed_authors":["Kim T","Moon JH","Kang S","Lee JY"],"additional_accession":[]},"is_claimable":false,"name":"Design of efficient non-doped blue emitters: toward the improvement of charge transport.","description":"Charge transport and electronic transition properties of a series of newly designed anthracene-based non-doped blue emitters were investigated by density functional theory calculations. For a highly efficient non-doped device, Cz3PhAn-based emitters were designed to suppress the hole and electron reorganization energies required for structural relaxation with respect to the changes of charged states. As a result, the hole hopping rates of triphenylamine (TPA) and phenylbenzimidazole (PBI) substituted Cz3PhAn derivatives (1, 4, and 5-7) were tremendously enhanced as compared to that of Cz3PhAn due to the suppression of the reorganization energy of holes, <i>λ</i> <sub>h</sub>. Moreover, 1 and 4 emitters showed almost identical hopping rates of holes and electrons, which can possibly lead to","dates":{"release":"2019-01-01T00:00:00Z","publication":"2019 Sep","modification":"2025-04-22T13:13:53.575Z","creation":"2024-11-14T02:17:04.192Z"},"accession":"S-EPMC9070764","cross_references":{"pubmed":["35530480"],"doi":["10.1039/c9ra04918e"]}}