scholarly journals The Impact of Local Morphology on Organic Donor/Acceptor Charge Transfer States

2018 ◽  
Vol 8 (28) ◽  
pp. 1702816 ◽  
Author(s):  
YunHui L. Lin ◽  
Michael A. Fusella ◽  
Barry P. Rand
Keyword(s):  
Charge Transfer ◽  
Donor Acceptor ◽  
The Impact

scholarly journals Revisiting the Charge-Transfer States at Pentacene/C60 Interfaces with the GW/Bethe–Salpeter Equation Approach

Materials ◽  
2020 ◽  
Vol 13 (12) ◽  
pp. 2728
Author(s):  
Takatoshi Fujita ◽  
Yoshifumi Noguchi ◽  
Takeo Hoshi
Keyword(s):  
Charge Transfer ◽  
Energy Levels ◽  
Absorption Peak ◽  
Model Systems ◽  
Equation Approach ◽  
Charge Delocalization ◽  
The Face ◽  
Donor Acceptor ◽  
The Impact ◽  
Main Absorption Peak

Molecular orientations and interfacial morphologies have critical effects on the electronic states of donor/acceptor interfaces and thus on the performance of organic photovoltaic devices. In this study, we explore the energy levels and charge-transfer states at the organic donor/acceptor interfaces on the basis of the fragment-based GW and Bethe–Salpeter equation approach. The face-on and edge-on orientations of pentacene/C60 bilayer heterojunctions have employed as model systems. GW+Bethe–Salpeter equation calculations were performed for the local interface structures in the face-on and edge-on bilayer heterojunctions, which contain approximately 2000 atoms. Calculated energy levels and charge-transfer state absorption spectra are in reasonable agreements with those obtained from experimental measurements. We found that the dependence of the energy levels on interfacial morphology is predominantly determined by the electrostatic contribution of polarization energy, while the effects of induction contribution in the edge-on interface are similar to those in the face-on. Moreover, the delocalized charge-transfer states contribute to the main absorption peak in the edge-on interface, while the face-on interface features relatively localized charge-transfer states in the main absorption peak. The impact of the interfacial morphologies on the polarization and charge delocalization effects is analyzed in detail.

Ultrafast Charge Transfer and Relaxation at a Donor–Acceptor Interface

2021 ◽  
Author(s):  
Fernando Rodríguez Díaz ◽  
Hong-Guang Duan ◽  
R. J. Dwayne Miller ◽  
Michael Thorwart
Keyword(s):  
Charge Transfer ◽  
Donor Acceptor ◽  
Ultrafast Charge Transfer

scholarly journals Restraining Surface Charge Accumulation and Enhancing Surface Flashover Voltage through Dielectric Coating

Coatings ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 750
Author(s):  
Jixing Sun ◽  
Sibo Song ◽  
Xiyu Li ◽  
Yunlong Lv ◽  
Jiayi Ren ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Electric Field ◽  
Electric Fields ◽  
Transition Process ◽  
Metallic Particle ◽  
Particle Charging ◽  
Insulating Surfaces ◽  
Surface Flashover ◽  
Charging Time ◽  
The Impact

A conductive metallic particle in a gas-insulated metal-enclosed system can charge through conduction or induction and move between electrodes or on insulating surfaces, which may lead to breakdown and flashover. The charge on the metallic particle and the charging time vary depending on the spatial electric field intensity, the particle shape, and the electrode surface coating. The charged metallic particle can move between the electrodes under the influence of the spatial electric field, and it can discharge and become electrically conductive when colliding with the electrodes, thus changing its charge. This process and its factors are mainly affected by the coating condition of the colliding electrode. In addition, the interface characteristics affect the particle when it is near the insulator. The charge transition process also changes due to the electric field strength and the particle charging state. This paper explores the impact of the coating material on particle charging characteristics, movement, and discharge. Particle charging, movement, and charge transfer in DC, AC, and superimposed electric fields are summarized. Furthermore, the effects of conductive particles on discharge characteristics are compared between coated and bare electrodes. The reviewed studies demonstrate that the coating can effectively reduce particle charge and thus the probability of discharge. The presented research results can provide theoretical support and data for studying charge transfer theory and design optimization in a gas-insulated system.

Theoretical study on the charge transfer mechanism at donor/acceptor interface: Why TTF/TCNQ is inadaptable to photovoltaics?

2016 ◽  
Vol 145 (24) ◽  
pp. 244705 ◽  
Author(s):  
Shuang-Bao Li ◽  
Yun Geng ◽  
Yu-Ai Duan ◽  
Guang-Yan Sun ◽  
Min Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Theoretical Study ◽  
Transfer Mechanism ◽  
Charge Transfer Mechanism ◽  
Donor Acceptor

Charge Transfer in Complexes of the Donor–Acceptor Type

1976 ◽  
Vol 45 (12) ◽  
pp. 1077-1090 ◽  
Author(s):  
Oleg Kh Poleshchuk ◽  
Yu K Maksyutin
Keyword(s):  
Charge Transfer ◽  
Donor Acceptor
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