Highly Efficient, Solution-Processed, Single-Layer, Electrophosphorescent Diodes and the Effect of Molecular Dipole Moment

2011 ◽  
Vol 21 (12) ◽  
pp. 2376-2382 ◽  
Author(s):  
Hameed A. Al-Attar ◽  
Gareth C. Griffiths ◽  
Tom N. Moore ◽  
Mustafa Tavasli ◽  
Mark A. Fox ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Efficient Solution ◽  
Single Layer ◽  
Solution Processed ◽  
Molecular Dipole ◽  
Molecular Dipole Moment ◽  
Highly Efficient

scholarly journals Highly efficient solution-processed white organic light-emitting diodes based on novel copolymer single layer

2012 ◽  
Vol 161 (23-24) ◽  
pp. 2580-2584 ◽  
Author(s):  
Carmen Coya ◽  
Angel Luis Álvarez ◽  
Mar Ramos ◽  
Rafael Gómez ◽  
Carlos Seoane ◽  
...  
Keyword(s):  
Efficient Solution ◽  
Light Emitting Diodes ◽  
Single Layer ◽  
Organic Light Emitting Diodes ◽  
Solution Processed ◽  
Light Emitting ◽  
Highly Efficient ◽  
Organic Light

RGB Small Molecules Based on a Bipolar Molecular Design for Highly Efficient Solution-Processed Single-layer OLEDs

2012 ◽  
Vol 18 (9) ◽  
pp. 2707-2714 ◽  
Author(s):  
Liang Yao ◽  
Shanfeng Xue ◽  
Qi Wang ◽  
Wenyue Dong ◽  
Wei Yang ◽  
...  
Keyword(s):  
Small Molecules ◽  
Efficient Solution ◽  
Molecular Design ◽  
Single Layer ◽  
Solution Processed ◽  
Highly Efficient

Highly efficient and solution-processed iridium complex for single-layer yellow electrophosphorescent diodes

2012 ◽  
Vol 22 (43) ◽  
pp. 23005 ◽  
Author(s):  
Xinhua Ouyang ◽  
Dongcheng Chen ◽  
Shuiming Zeng ◽  
Xingye Zhang ◽  
Shijian Su ◽  
...  
Keyword(s):  
Single Layer ◽  
Iridium Complex ◽  
Solution Processed ◽  
Highly Efficient

scholarly journals Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

2020 ◽  
Author(s):  
Bowen Han ◽  
Christine Isborn ◽  
Liang Shi
Keyword(s):  
Electronic Structure ◽  
Dipole Moment ◽  
Charge Transfer ◽  
Liquid Water ◽  
Quantum Chemical ◽  
Water Dimer ◽  
Atomic Charges ◽  
Molecular Dipole ◽  
Molecular Dipole Moment ◽  
Partial Atomic Charges

Partial atomic charges provide an intuitive and efficient way to describe the charge distribution and the resulting intermolecular electrostatic interactions in liquid water. Many charge models exist and it is unclear which model provides the best assignment of partial atomic charges in response to the local molecular environment. In this work, we systematically scrutinize various electronic structure methods and charge models (Mulliken, Natural Population Analysis, CHelpG, RESP, Hirshfeld, Iterative Hirshfeld, and Bader) by evaluating their performance in predicting the dipole moments of isolated water, water clusters, and liquid water as well as charge transfer in the water dimer and liquid water. Although none of the seven charge models is capable of fully capturing the dipole moment increase from isolated water (1.85 D) to liquid water (about 2.9 D), the Iterative Hirshfeld method performs best for liquid water, reproducing its experimental average molecular dipole moment, yielding a reasonable amount of intermolecular charge transfer, and showing modest sensitivity to the local water environment. The performance of the charge model is dependent on the choice of the density functional and the quantum treatment of the environment. The computed molecular dipole moment of water generally increases with the percentage of the exact Hartree-Fock exchange in the functional, whereas the amount of charge transfer between molecules decreases. For liquid water, including two full solvation shells of surrounding water molecules (within about 5.5 A of the central water) in the quantum-chemical calculation converges the charges of the central water molecule. Our final pragmatic quantum-chemical charge assigning protocol for liquid water is the Iterative Hirshfeld method with M06-HF/aug-cc-pVDZ and a quantum region cutoff radius of 5.5 A.<br>

Highly efficient solution-processed green and red electrophosphorescent devices enabled by small-molecule bipolar host material

2011 ◽  
Vol 21 (25) ◽  
pp. 9326 ◽  
Author(s):  
Minrong Zhu ◽  
Tengling Ye ◽  
Xun He ◽  
Xiaosong Cao ◽  
Cheng Zhong ◽  
...  
Keyword(s):  
Small Molecule ◽  
Efficient Solution ◽  
Host Material ◽  
Solution Processed ◽  
Highly Efficient

Highly efficient solution-processed red organic light-emitting diodes with long-side-chained triplet emitter

2011 ◽  
Vol 161 (1-2) ◽  
pp. 148-152 ◽  
Author(s):  
Yu-Chiang Chao ◽  
Sheng-Yang Huang ◽  
Chun-Yu Chen ◽  
Yu-Fan Chang ◽  
Hsin-Fei Meng ◽  
...  
Keyword(s):  
Efficient Solution ◽  
Light Emitting Diodes ◽  
Organic Light Emitting Diodes ◽  
Solution Processed ◽  
Light Emitting ◽  
Highly Efficient ◽  
Organic Light ◽  
Triplet Emitter

Highly efficient solution-processed CZTSSe solar cells based on a convenient sodium-incorporated post-treatment method

2020 ◽  
Vol 40 ◽  
pp. 196-203 ◽  
Author(s):  
Biwen Duan ◽  
Linbao Guo ◽  
Qing Yu ◽  
Jiangjian Shi ◽  
Huijue Wu ◽  
...  
Keyword(s):  
Solar Cells ◽  
Efficient Solution ◽  
Treatment Method ◽  
Post Treatment ◽  
Solution Processed ◽  
Highly Efficient
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