Theoretical Study of Charge Mobility in Crystal Porphine and a Computer Design of a Porphine-Based Semiconductive Discotic Liquid Mesophase.

Liana Savintseva, Alexander Avdoshin, Stanislav Ignatov, Alexander Novikov

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Article in International journal of molecular sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 authors.

Liana SavintsevaDepartment of Chemistry, Lobachevsky State University of Nizhny Novgorod, 23 Gagarin Ave, 603950 Nizhny Novgorod, Russia.ORCID 0000-0001-5601-7459

Alexander AvdoshinDepartment of Chemistry, Lobachevsky State University of Nizhny Novgorod, 23 Gagarin Ave, 603950 Nizhny Novgorod, Russia.ORCID 0000-0002-3874-4545

Stanislav IgnatovDepartment of Chemistry, Lobachevsky State University of Nizhny Novgorod, 23 Gagarin Ave, 603950 Nizhny Novgorod, Russia.ORCID 0000-0002-6039-3905

Alexander NovikovInstitute of Chemistry, Saint Petersburg State University, Universitetskaya Nab., 7/9, 199034 Saint Petersburg, Russia.ORCID 0000-0001-9913-5324

Funding

Strategic Academic Leadership Program of the State University of Nizhny Novgorod, "Priority 2030" project H-473-99

6 · The paper itself

Abstract

Organic semiconductors are the focus of numerous studies; they are used in electronic devices. Modern research involves the production of neuromorphic organic materials, including those based on liquid crystal materials. The purpose of this work involves the theoretical modeling of molecules (the "core with branches" type) to construct a discotic mesophase capable of performing the functions of a neuromorphic material. For this purpose, the conductivity of crystal porphine, which can act as the nucleus of a molecule of the "core with branches" type, was investigated. The Marcus theory charge mobility values for the hole and electron were 0.148 and 0.088 cm

Indexed as

Liquid CrystalsModels, TheoreticalComputersElectronsPorphyrinsporphinePorphyrinscharge mobilitycharge transportliquid crystalneuromorphic materialorganic semiconductorsTD-DFTtransfer integral

Identifiers

PMID36614178

DOI10.3390/ijms24010736

PMCPMC9821175

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