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First-Principles Study on the Structural, Optoelectronic and Transport Properties of 1,4-Dithiazole-5,10-Dihydrophenazine and its B←N-Fused Derivatives

https://doi.org/10.2139/ssrn.4822839
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inferredcites →https://doi.org/10.1002/adma.201003503openalex-extracted
Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First‐Principles Level
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A Resonating B, N Covalent Bond and Coordination Bond in Aromatic Compounds and Conjugated Polymers
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BN‐Embedded Tetrabenzopentacene: A Pentacene Derivative with Improved Stability
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Introducing Perylene as a New Member to the Azaborine Family
inferredcites →https://doi.org/10.1002/anie.202205893openalex-extracted
A Resonating B, N Covalent Bond and Coordination Bond in Aromatic Compounds and Conjugated Polymers
inferredcites →https://doi.org/10.1007/s00894-014-2158-zopenalex-extracted
Theoretical investigation on the crystal structures and electron transport properties of several nitrogen-rich pentacene derivatives
inferredcites →https://doi.org/10.1007/s00894-015-2677-2openalex-extracted
Molecular stacking character and charge transport properties of tetrabenzoheptacenes derivatives: the effects of nitrogen doping and phenyl substitution
inferredcites →https://doi.org/10.1016/j.comptc.2015.01.019openalex-extracted
Theoretical study on the electron transport properties of chlorinated pentacene derivatives
inferredcites →https://doi.org/10.1016/j.orgel.2008.06.005openalex-extracted
Modeling hole and electron mobilities in pentacene ab-plane
inferredcites →https://doi.org/10.1021/acs.chemrev.1c00314openalex-extracted
Mixed Ionic and Electronic Conduction in Small-Molecule Semiconductors
inferredcites →https://doi.org/10.1021/acs.chemrev.1c01055openalex-extracted
Emerging Electrochromic Materials and Devices for Future Displays
inferredcites →https://doi.org/10.1021/acsomega.2c06591openalex-extracted
Quantitative Prediction of Charge Mobilities and Theoretical Insight into the Regulation of Site-Specific Trifluoromethylethynyl Substitution to Electronic and Charge Transport Properties of 9,10-Anthraquinone
inferredcites →https://doi.org/10.1021/cm8002172openalex-extracted
Influences of Crystal Structures and Molecular Sizes on the Charge Mobility of Organic Semiconductors: Oligothiophenes
inferredcites →https://doi.org/10.1021/ja506980popenalex-extracted
Photodissociation of B–N Lewis Adducts: A Partially Fused Trinaphthylborane with Dual Fluorescence
inferredcites →https://doi.org/10.1021/jacs.1c11782openalex-extracted
“Spine Surgery” of Perylene Diimides with Covalent B–N Bonds toward Electron-Deficient BN-Embedded Polycyclic Aromatic Hydrocarbons
inferredcites →https://doi.org/10.1021/jacs.9b09640openalex-extracted
Quadruply B←N-Fused Dibenzo-azaacene with High Electron Affinity and High Electron Mobility
inferredcites →https://doi.org/10.1021/jp303724ropenalex-extracted
Challenges for the Accurate Simulation of Anisotropic Charge Mobilities through Organic Molecular Crystals: The β Phase of mer-Tris(8-hydroxyquinolinato)aluminum(III) (Alq3) Crystal
inferredcites →https://doi.org/10.1039/b816406copenalex-extracted
Computational methods for design of organic materials with high charge mobility
inferredcites →https://doi.org/10.1039/c9cc00769eopenalex-extracted
A disk-type polyarene containing four B←N units
inferredcites →https://doi.org/10.1039/d0tc03715jopenalex-extracted
Intra-chain and inter-chain synergistic effect gives rise to high electron mobilities for naphthalenediimide based copolymers
inferredcites →https://doi.org/10.1039/d1cs01136gopenalex-extracted
High-performance five-ring-fused organic semiconductors for field-effect transistors
inferredcites →https://doi.org/10.1039/d1ra05274hopenalex-extracted
Influence of non-covalent interactions in dictating the polarity and mobility of charge carriers in a series of crystalline NDIs: a computational case study
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