Charge transfer through amino groups-small molecules interface improving the performance of electroluminescent devices

Havare, Ali; Can, Mustafa; Tozlu, Cem; Kuş, Mahmut; Okur, Salih; Demiç, Şerafettin; Demirak, Kadir; Kurt, Mustafa; İçli, Sıddık

doi:10.1016/j.optmat.2016.03.020

Cited by 9 publications

(13 citation statements)

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“…[34][35][36][37][38][39] Also, the electron reorganization energy of Alq3 at 0.276 eV [91] and the hole reorganization energy of TPD at 0.290 eV were reported. [34][35][36][37][38][39] Also, the electron reorganization energy of Alq3 at 0.276 eV [91] and the hole reorganization energy of TPD at 0.290 eV were reported.…”

Section: Reorganization Energiesmentioning

confidence: 99%

“…[10][11][12][13][14][15][16][17] Fundamentally, used compounds in OLED structure have been classified as electron-transporting layers (ETL), [18][19][20] hole-transporting layers (HTL), [18,19] and emissive layers (EL). [29][30][31][32][33] N,N 0 -diphenyl-N,N 0 -bis (3-methyl phenyl)-(1,10-biphenyl)-4,4 0 -diamine (TPD) [34][35][36] and tris(8-hydroxyquinolinato)aluminum(III) (Alq3) [37][38][39] are a typical HTL and a ETL material, respectively. EL materials are found between ETL and HTL materials and emit light from red to blue depending on the wavelength of the emission.…”

Section: Introductionmentioning

confidence: 99%

“…The calculations of both porphyrin and its metal complexes as a monomer form were performed at B3LYP/6-31G(d) level by using the Gaussian 16 and GaussView 6 package programs. [29][30][31][32][33] N,N 0 -diphenyl-N,N 0 -bis (3-methyl phenyl)-(1,10-biphenyl)-4,4 0 -diamine (TPD) [34][35][36] and tris(8-hydroxyquinolinato)aluminum(III) (Alq3) [37][38][39] are a typical HTL and a ETL material, respectively. The OLED tensors of the mentioned molecules, which are emission energies, reorganization energies (λ e and λ h ), the ionization potentials and the electron affinities (adiabatic and vertical), the effective transfer integrals (V e and V h ), and the charge transfer rates (W e and W h ), were calculated to evaluate the OLED behaviors and determine the best OLED structure.…”

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confidence: 99%

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Electronic, optical, and charge transfer properties of porphyrin and metallated porphyrins in different media

Üngördü

2019

Int J of Quantum Chemistry

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Porphyrin and M-Porphyrin (M = Fe 2+ , Co 2+ , Ni 2+ , Cu 2+ , and Zn 2+ ) complexes were designed to examine their organic light-emitting diode (OLED) properties. All calculations were performed in different media, which are gas, benzene, DMSO, and water phases. The calculations of both porphyrin and its metal complexes as a monomer form were performed at B3LYP/6-31G(d) level by using the Gaussian 16 and GaussView 6 package programs. On the other hand, emission calculations for the monomer form and dimer form computations of the studied compounds were carried out at PBE0/TZP and B3LYP/TZP levels, respectively, by using Amsterdam density functional (ADF) 2019 package program. The OLED tensors of the mentioned molecules, which are emission energies, reorganization energies (λ e and λ h ), the ionization potentials and the electron affinities (adiabatic and vertical), the effective transfer integrals (V e and V h ), and the charge transfer rates (W e and W h ), were calculated to evaluate the OLED behaviors and determine the best OLED structure. K E Y W O R D Scharge transfer rate, OLED material, porphyrin, reorganization energy, transfer integral | INTRODUCTIONThe improvement of organic light-emitting diodes (OLEDs) including π-conjugated systems has been of interest over the past decade due to their economical and efficient applications in next-generation display technology and lighting field. [1][2][3][4][5][6][7][8][9] These systems can consist of metal-free or metallated compounds. [10][11][12][13][14][15][16][17] Fundamentally, used compounds in OLED structure have been classified as electron-transporting layers (ETL), [18][19][20] hole-transporting layers (HTL), [18,19] and emissive layers (EL). [18,19] In addition to these layers, there are electron injection layer (EIL), [21,22] electron blocking layer (EBL), [23,24] hole injection layer (HIL), [25,26] and hole blocking layer (HBL) [27,28] between cathode and anode. EL materials are found between ETL and HTL materials and emit light from red to blue depending on the wavelength of the emission. [29][30][31][32][33] N,N 0 -diphenyl-N,N 0 -bis (3-methyl phenyl)-(1,10-biphenyl)-4,4 0 -diamine (TPD) [34][35][36] and tris(8-hydroxyquinolinato)aluminum(III) (Alq3) [37][38][39] are a typical HTL and a ETL material, respectively. While TPD is metal-free molecules, Alq3 is metallated organic molecules. Researchers investigating OLEDs have studies on determining alternative molecules that are superior to these compounds. [40][41][42][43][44][45][46][47][48] Additionally, color properties of emitter materials in EL layer have been studied. [49][50][51][52] Recently, the scientists have focused on improving the materials having a high charge transfer rate and exhibiting strong emission in the visible region to increase the performance of OLEDs. [53][54][55][56][57][58][59] For this purpose, they have modified the compounds via using the metal or substituent. [15,[60][61][62][63][64] Porphyrin is a planar, aromatic macrocyclic ring consisting of four pyrrole units havin...

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Section: Reorganization Energiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

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Electronic, optical, and charge transfer properties of porphyrin and metallated porphyrins in different media

Üngördü

2019

Int J of Quantum Chemistry

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“…5). At present, ruthenium complexes and metal porphyrins photosensitizers have an overall solar to energy conversion efficiency more than 12% for small area devices [3,4]. However metal free organic dyes could be also considered as an alternative choice for the conversion of solar energy into electricity using DSSCs.…”

Section: Opvs (Organic Photo Voltaics)mentioning

confidence: 99%

“…On the other hand, in last quarter of century, Organic Photo-Electronic Technologies of OLED, OFET, OPV entered rapidly to our daily life [3][4][5]. A distinct example is OLED-Organic LED lamps.…”

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Photosynthesis: Miracle of Organic Life and Its Technologies

İçli¹

2017

JMSE-B

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Abstract:The photochemical reaction of carbon dioxide, nitrogen and water in at our atmosphere, production of amino acids, following protein molecular structures, finally creation of micro-living species, and the birth of plants, animals! These microscopic molecular structures (in rivers, lakes, seas) had given birth to moss on land, further all sorts of plants, animals and human beings, that are called as the Miracle of Universe. Human intelligence has created the Technologies simulating photosynthesis, named as Organic Photo-Electronic Technolojigies of OLED lamps, OFET transistors, OPV photovoltaics, that are now in our daily life. A distinct example is OLED-Organic LED lamps, in mobile phones, Lap-Top computers, colored TVs, and other electronics are now based on OLED technology. Advanced developments on Organic Photo Technologies, now overcome to the employment of inorganic materials of steel, iron etc. that creates huge pollution problems on Earth. The OLEDs, followed by the OPV-Organic Photo Voltaics and OFET-Organic Field Effect Transistors, with nature now entered into all of our electronic systems, capable us replace present inorganic technological systems-tools, and lower the pollution threat on our Earth.

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Charge transfer properties of Gaq3 and its derivatives: An OLED study

Üngördü

2019

Chemical Physics Letters

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Charge transfer through amino groups-small molecules interface improving the performance of electroluminescent devices

Cited by 9 publications

References 44 publications

Electronic, optical, and charge transfer properties of porphyrin and metallated porphyrins in different media

Electronic, optical, and charge transfer properties of porphyrin and metallated porphyrins in different media

Photosynthesis: Miracle of Organic Life and Its Technologies

Charge transfer properties of Gaq3 and its derivatives: An OLED study

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