Di(biphenyl)silane and carbazole based bipolar host materials for highly efficient blue phosphorescent OLEDs

Diphenanthroline Electron Transport Materials for the Efficient Charge Generation Unit in Tandem Organic Light-Emitting Diodes

“…To develop ETL materials with excellent ability to be doped n-type, high electron mobility, and good operational stability, several Phen derivatives were designed, and their nucleophilic nature and electron-transporting properties were estimated by calculating the molecular electrostatic potential (ESP), electron RE, and geometrically optimized three-dimensional (3D) molecular structure. It has been previously reported that the lower maximum negative ESP and RE can result in higher nucleophilicity and electron mobility. − ,, All related theoretical calculations were performed through DFT simulation by using the generalized gradient approximation with the Perdew–Burke–Ernzerhof (GGA-PBE) functional and the double numerical plus d-functions (DND) basis set in DMol3 of the Materials Studio Package. , To determine the influence of the phenyl substitution position of the Phen derivative on the n-doping and electron-transporting properties, we calculated the maximum negative ESPs and electron REs of the five Phen-based moieties, 4-DPPhen, 2-PPhen, 4,7-DPPhen (or Bphen), 2,4-DPPhen, and 2,9-DPPhen, with altered substitution positions and numbers of phenyl substituents, where only the 2-, 4-, 7-, and 9-positions are used for the phenyl substitution because the other positions are not active in the substitution reaction.…”

“…[41][42][43][44][45][46]79,80 All related theoretical calculations were performed through DFT simulation by using the generalized gradient approximation with the Perdew−Burke−Ernzerhof (GGA-PBE) functional and the double numerical plus dfunctions (DND) basis set in DMol3 of the Materials Studio Package. 51,52 To determine the influence of the phenyl substitution position of the Phen derivative on the n-doping and electron-transporting properties, we calculated the maximum negative ESPs and electron REs of the five Phenbased moieties, 4-DPPhen, 2-PPhen, 4,7-DPPhen (or Bphen), 2,4-DPPhen, and 2,9-DPPhen, with altered substitution positions and numbers of phenyl substituents, where only the 2-, 4-, 7-, and 9-positions are used for the phenyl substitution because the other positions are not active in the substitution reaction.…”

New Triphenylamine-Based Oligomeric Schiff Bases Containing Tetraphenylsilane Moieties in the Backbone

“…Recently, silicon-containing small molecules and polymers have been investigated as materials for optoelectronics applications, gas separation membranes and the synthesis of porous organic frameworks [ 20 , 21 , 22 , 23 , 24 ]. Silicon-containing polymers, particularly tetra-arylsilane (TPS) derivatives, have become attractive moieties for efficient blue OLEDs as a host material due to their high-energy gap and suitable triplet energy level along with their high quantum efficiency in host/blue-phosphorescent OLEDs [ 25 ].…”

Nopinone-based aggregation-induced emission (AIE)-active difluoroboron β-diketonate complex: photophysical, electrochemical and electroluminescence properties

“…The emission spectra remained almost unchanged when the water volume fraction was gradually increased from 0% to 20%. When the water content was further increased from 30% to 90%, the fluorescence intensity was swiftly enhanced, which attributed to the restriction of intramolecular rotation (RIR) 46–48 According to the Fig. S7, † the emission of 3b in the water fraction ( f w ) of 60% is weaker than that of 50%, which is probably due to the difference in aggregate morphology.…”