Theoretical calculation on relationship between molecular structure and band gap of benzo[1,2-b:4,5-b $$'$$ ′ ]dithiophene based homopolymer

2014 ◽  
Vol 52 (10) ◽  
pp. 2507-2519 ◽  
Author(s):  
Shaojie Chen ◽  
Xingye Zhang ◽  
Zhiyang Liu ◽  
Ziyi Ge
Keyword(s):  
Molecular Structure ◽  
Theoretical Calculation ◽  
Band Gap

Molecular Structure, Theoretical Calculation and Thermal Behavior of DAG(NTO)

2008 ◽  
Vol 26 (9) ◽  
pp. 1549-1554 ◽  
Author(s):  
Chun-Ran CHANG ◽  
Kang-Zhen XU ◽  
Jie HUANG ◽  
Meng LI ◽  
Ji-Rong SONG ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Thermal Behavior ◽  
Theoretical Calculation

Peripherally diketopyrrolopyrrole-functionalized dendritic oligothiophenes – synthesis, molecular structure, properties and applications

2017 ◽  
Vol 8 (9) ◽  
pp. 1460-1476 ◽  
Author(s):  
Wei Gao ◽  
Qun Luo ◽  
Junkai Wang ◽  
Yi Lin ◽  
Changquan Tang ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Band Gap ◽  
Cross Section ◽  
Optical Band Gap ◽  
Structure Properties

Structure defined DPP functionalized conjugated thiophene dendrimers with a narrow optical band gap and a high TPA cross section are reported.

Infrared and Raman spectrum, molecular structure and theoretical calculation of 3,4-dichlorophenylboronic acid

2009 ◽  
Vol 921 (1-3) ◽  
pp. 178-187 ◽  
Author(s):  
Mustafa Kurt ◽  
T. Raci Sertbakan ◽  
Mustafa Özduran ◽  
Mehmet Karabacak
Keyword(s):  
Molecular Structure ◽  
Raman Spectrum ◽  
Theoretical Calculation

Infrared spectrum, molecular structure and theoretical calculation of 2-pyridone-6-carboxylic acid

2007 ◽  
Vol 839 (1-3) ◽  
pp. 76-83 ◽  
Author(s):  
H. Arslan ◽  
A. Şengül ◽  
S. Aygün ◽  
N. Karadayı ◽  
S. Haman Bayarı
Keyword(s):  
Molecular Structure ◽  
Carboxylic Acid ◽  
Infrared Spectrum ◽  
Theoretical Calculation

Molecular Structure, Theoretical Calculation and Thermodynamic Properties of Tebuconazole

2009 ◽  
Vol 27 (6) ◽  
pp. 1035-1040 ◽  
Author(s):  
Haixia MA ◽  
Jirong SONG ◽  
Ting HUANG ◽  
Xingqiang LÜ ◽  
Kangzhen XU ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Thermodynamic Properties ◽  
Theoretical Calculation

Composite Semiconductor Nanoparticles

1992 ◽  
Vol 283 ◽  
Author(s):  
H. S. Zhou ◽  
I. Honma ◽  
H. Komiyama ◽  
J. W. Haus
Keyword(s):  
Electron Diffraction ◽  
Optical Absorption ◽  
Theoretical Calculation ◽  
Band Gap ◽  
Semiconductor Nanoparticles ◽  
Core Radius ◽  
Nanometer Size ◽  
Effective Masses ◽  
The Core ◽  
Semiconductor Particles

ABSTRACTNanometer size semiconductor particles coated with another semiconductor can exhibit unusual and interesting phenomena associated with the redistribution of the electron and hole wavefunctions. Using the band offsets and effective-masses, the band gap as well as the wavefunctions can be altered by changing the core radius of the particles. CdS/PbS coated semiconductor nanoparticles are synthesized by ion displacing method and experimental results are discussed along with the theoretical calculation. Optical absorption as well as TEM, Electron diffraction results provides for the evidence that the particles are coated.

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