Theoretical Investigation into Electronic Structures and Charge Transfer Properties of π-Conjugated System with Different Combinations of Thiophene and Vinyl/Butadiene

2012 ◽  
Vol 30 (10) ◽  
pp. 2501-2508 ◽  
Author(s):  
Chunmei Zhao ◽  
Chunrong Li ◽  
Yan Ma ◽  
Caibin Zhao ◽  
Wenliang Wang
Keyword(s):  
Charge Transfer ◽  
Theoretical Investigation ◽  
Electronic Structures ◽  
Transfer Properties

Theoretical investigation of the charge-transfer properties in different meso-linked zinc porphyrins for highly efficient dye-sensitized solar cells

2014 ◽  
Vol 43 (24) ◽  
pp. 9166-9176 ◽  
Author(s):  
Supawadee Namuangruk ◽  
Kanokkorn Sirithip ◽  
Rattanawelee Rattanatwan ◽  
Tinnagon Keawin ◽  
Nawee Kungwan ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
Theoretical Investigation ◽  
Intramolecular Charge Transfer ◽  
Dye Sensitized Solar Cells ◽  
Zinc Porphyrin ◽  
Dye Sensitized ◽  
Anchoring Group ◽  
Sensitized Solar Cells ◽  
Transfer Properties

In an attempt to improve the photoinduced intramolecular-charge transfer ability of a meso-linked zinc porphyrin by introducing CN to the anchoring group.

Electrochemistry, Charge Transfer Properties, and Theoretical Investigation of a Macrocyclic Boronate Dimer of 1′,1‴-Biferrocenediboronic Acid and Related Ferrocenyl Boronate Complexes

2014 ◽  
Vol 34 (1) ◽  
pp. 299-308 ◽  
Author(s):  
Keishiro Tahara ◽  
Nazuna Terashita ◽  
Tetsuhiro Akita ◽  
Shohei Katao ◽  
Jun-ichi Kikuchi ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Theoretical Investigation ◽  
Transfer Properties

Theoretical investigations into the charge transfer properties of thiophene α-substituted naphthodithiophene diimides: excellent n-channel and ambipolar organic semiconductors

2017 ◽  
Vol 19 (21) ◽  
pp. 13978-13993 ◽  
Author(s):  
Li-Fei Ji ◽  
Jian-Xun Fan ◽  
Shou-Feng Zhang ◽  
Ai-Min Ren
Keyword(s):  
Charge Transfer ◽  
Charge Transport ◽  
Transport Properties ◽  
Organic Semiconductors ◽  
Electronic Structures ◽  
Quantum Chemical ◽  
Chemical Methods ◽  
Quantum Chemical Methods ◽  
Theoretical Investigations ◽  
Transfer Properties

The effects of substituents at the thiophene α-position of NDTI on the electronic structures, stability, molecular packing and the charge transport properties were investigated using quantum chemical methods.

scholarly journals Understanding contact electrification at liquid–solid interfaces from surface electronic structure

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Mingzi Sun ◽  
Qiuyang Lu ◽  
Zhong Lin Wang ◽  
Bolong Huang
Keyword(s):  
Charge Transfer ◽  
Electronic Structures ◽  
Electrochemical Cell ◽  
Cell Model ◽  
Electrostatic Charge ◽  
Direct Visualization ◽  
Solid Interface ◽  
Surface Electronic Structure ◽  
Contact Electrification ◽  
Triboelectric Nanogenerators

AbstractThe charge transfer phenomenon of contact electrification even exists in the liquid–solid interface by a tiny droplet on the solid surface. In this work, we have investigated the contact electrification mechanism at the liquid–solid interface from the electronic structures at the atomic level. The electronic structures display stronger modulations by the outmost shell charge transfer via surface electrostatic charge perturbation than the inter-bonding-orbital charge transfer at the liquid–solid interface, supporting more factors being involved in charge transfer via contact electrification. Meanwhile, we introduce the electrochemical cell model to quantify the charge transfer based on the pinning factor to linearly correlate the charge transfer and the electronic structures. The pinning factor exhibits a more direct visualization of the charge transfer at the liquid–solid interface. This work supplies critical guidance for describing, quantifying, and modulating the contact electrification induced charge transfer systems in triboelectric nanogenerators in future works.

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