Dynamic Monte Carlo modeling of exciton dissociation in organic donor-acceptor solar cells

2012 ◽  
Vol 137 (1) ◽  
pp. 014903 ◽  
Author(s):  
Michael C. Heiber ◽  
Ali Dhinojwala
Keyword(s):  
Monte Carlo ◽  
Solar Cells ◽  
Exciton Dissociation ◽  
Monte Carlo Modeling ◽  
Dynamic Monte Carlo ◽  
Donor Acceptor

Kinetic Monte Carlo modeling on organic solar cells: Domain size, donor-acceptor ratio and thickness

Nano Energy ◽  
2017 ◽  
Vol 35 ◽  
pp. 128-137 ◽  
Author(s):  
Upendra Neupane ◽  
Behzad Bahrami ◽  
Matt Biesecker ◽  
Mahdi Farrokh Baroughi ◽  
Qiquan Qiao
Keyword(s):  
Monte Carlo ◽  
Solar Cells ◽  
Organic Solar Cells ◽  
Kinetic Monte Carlo ◽  
Domain Size ◽  
Monte Carlo Modeling ◽  
Donor Acceptor

scholarly journals Dynamic Monte-Carlo modeling of hydrogen isotope reactive–diffusive transport in porous graphite

2007 ◽  
Vol 367-370 ◽  
pp. 1238-1242 ◽  
Author(s):  
R. Schneider ◽  
A. Rai ◽  
A. Mutzke ◽  
M. Warrier ◽  
E. Salonen ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Hydrogen Isotope ◽  
Diffusive Transport ◽  
Monte Carlo Modeling ◽  
Dynamic Monte Carlo ◽  
Porous Graphite

scholarly journals Dynamic Monte-Carlo modeling of hydrogen isotope diffusion in co-deposited layers

2007 ◽  
Vol 363-365 ◽  
pp. 1272-1276
Author(s):  
A. Rai ◽  
P.N. Maya ◽  
R. Schneider ◽  
S.P. Deshpande ◽  
M. Warrier
Keyword(s):  
Monte Carlo ◽  
Hydrogen Isotope ◽  
Monte Carlo Modeling ◽  
Dynamic Monte Carlo

Kinetic Monte Carlo modeling of low-bandgap polymer solar cells

2014 ◽  
Author(s):  
Tim Albes ◽  
Bogdan Popescu ◽  
Dan Popescu ◽  
Marius Loch ◽  
Francesco Arca ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Solar Cells ◽  
Kinetic Monte Carlo ◽  
Polymer Solar Cells ◽  
Monte Carlo Modeling ◽  
Low Bandgap

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

scholarly journals A dynamic Monte Carlo study of anomalous current voltage behaviour in organic solar cells

2014 ◽  
Vol 116 (21) ◽  
pp. 214509 ◽  
Author(s):  
K. Feron ◽  
X. Zhou ◽  
W. J. Belcher ◽  
C. J. Fell ◽  
P. C. Dastoor
Keyword(s):  
Monte Carlo ◽  
Solar Cells ◽  
Organic Solar Cells ◽  
Monte Carlo Study ◽  
Dynamic Monte Carlo ◽  
Current Voltage

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

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.

Sign in / Sign up

Export Citation Format

Share Document