Role of the effective mass and interfacial dipoles on exciton dissociation in organic donor-acceptor solar cells

2013 ◽  
Vol 87 (15) ◽  
Author(s):  
Christian Schwarz ◽  
Steffen Tscheuschner ◽  
Johannes Frisch ◽  
Stefanie Winkler ◽  
Norbert Koch ◽  
...  
Keyword(s):  
Solar Cells ◽  
Effective Mass ◽  
Exciton Dissociation ◽  
Donor Acceptor

Theoretical search for high-performance thermoelectric donor–acceptor copolymers: the role of super-exchange couplings

2020 ◽  
Vol 8 (41) ◽  
pp. 21852-21861
Author(s):  
Xue Yong ◽  
Gang Wu ◽  
Wen Shi ◽  
Zicong Marvin Wong ◽  
Tianqi Deng ◽  
...  
Keyword(s):  
Effective Mass ◽  
Power Factor ◽  
First Principles ◽  
High Performance ◽  
First Principles Calculations ◽  
Thermoelectric Power Factor ◽  
Hole Effective Mass ◽  
Donor Acceptor ◽  
Weak Electron

First-principles calculations of a series of representing D–A copolymers demonstrated the strong Super-Exchange couplings induce not only small hole effective mass but also weak electron-phonon couplings, and eventually high thermoelectric power factor.

The role of the double peaked absorption spectrum in the efficiency of solar cells based on donor–acceptor–donor copolymers

2011 ◽  
Vol 95 (8) ◽  
pp. 2287-2294 ◽  
Author(s):  
Carla D. Canestraro ◽  
Paula C. Rodrigues ◽  
Cleber F.N. Marchiori ◽  
Camila B. Schneider ◽  
Leni Akcelrud ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Solar Cells ◽  
Donor Acceptor

Hole Transfer Originating from Weakly Bound Exciton Dissociation in Acceptor–Donor–Acceptor Nonfullerene Organic Solar Cells

2019 ◽  
Vol 10 (22) ◽  
pp. 7100-7106 ◽  
Author(s):  
Meng-Si Niu ◽  
Kang-Wei Wang ◽  
Xiao-Yu Yang ◽  
Peng-Qing Bi ◽  
Kang-Ning Zhang ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Exciton Dissociation ◽  
Weakly Bound ◽  
Hole Transfer ◽  
Donor Acceptor

The crucial role of a spacer material on the efficiency of charge transfer processes in organic donor–acceptor junction solar cells

Nanoscale ◽  
2018 ◽  
Vol 10 (1) ◽  
pp. 451-459 ◽  
Author(s):  
Reed Nieman ◽  
Hsinhan Tsai ◽  
Wanyi Nie ◽  
Adelia J. A. Aquino ◽  
Aditya D. Mohite ◽  
...  
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
Crucial Role ◽  
Organic Photovoltaic ◽  
Transfer Processes ◽  
Donor Acceptor

Organic photovoltaic donor–acceptor junction devices show greatly increased performance when a spacer material is inserted.

scholarly journals Theoretical Study on the Photoelectric Properties of a Class of Copolymers Based on Benzodithiophene for Solar Cells

2018 ◽  
Vol 2018 ◽  
pp. 1-11
Author(s):  
Xiao-Hua Xie ◽  
Xin-Wei Zhao ◽  
Ming Li
Keyword(s):  
Density Functional Theory ◽  
Solar Cells ◽  
Charge Transport ◽  
Density Functional ◽  
Band Structure Calculation ◽  
Exciton Dissociation ◽  
Functional Theory ◽  
Chemical Structures ◽  
Photoelectric Properties ◽  
Donor Acceptor

The structural, electronic, and optical properties of PBDTTBT are comprehensively studied by density functional theory to rationalize the experimentally observed properties. Periodic boundary conditions method is employed to simulate the polymer block and calculate effective charge mass from the band structure calculation to describe charge transport properties. Moreover, both time-dependent density functional theory and a set of multidimensional visualization techniques are used to characterize the exciton dissociation ability in the PCBM: PBDTTBT interface. These theoretical methods and calculation techniques not only promote deep understanding of the connection between chemical structures and optical and electronic properties of the donor-acceptor system but also can be used to rationally design a novel donor-acceptor system. Based on the same calculated methods as PBDTTBT, four copolymers PBDTTTP, PBDTTTO, PBDTTTPD, and PBDTTFPD are designed to study their potentials as donors in polymer BHJ. The results indicate that PBDTTBT’s well conjugation benefits its good stability, and its wide and strong absorption spectra in the range of visible light, appropriate FMO levels, well charge transport, and favorable exciton dissociation lead to its photovoltaic performance. Furthermore, through comparing the four designed polymers with PBDTTBT, we conclude that the four designed polymers have stronger exciton dissociation ability and larger open-circuit voltage and external quantum efficiencies. Consequently, the four designed copolymers are promising candidates for polymer BHJ solar cells.

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