Charge separation at disordered semiconductor heterojunctions from random walk numerical simulations
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Other documents of the author: Mandujano-Ramírez, Humberto J.; González Vázquez, J. P.; Oskam, Gerko; Dittrich, Thomas; Garcia-Belmonte, Germà; Mora-Sero, Ivan; Bisquert, Juan; Anta, Juan A.
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comunitat-uji-handle2:10234/2507
comunitat-uji-handle3:10234/6973
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http://dx.doi.org/10.1039/c3cp54237h |
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Title
Charge separation at disordered semiconductor heterojunctions from random walk numerical simulationsAuthor (s)
Date
2014Publisher
Royal Society of ChemistryISSN
1463-9076; 1463-9084Bibliographic citation
Phys. Chem. Chem. Phys., 2014, 16, 4082Type
info:eu-repo/semantics/articlePublisher version
http://pubs.rsc.org/en/content/articlepdf/2014/cp/c3cp54237hVersion
info:eu-repo/semantics/publishedVersionAbstract
Many recent advances in novel solar cell technologies are based on charge separation in disordered
semiconductor heterojunctions. In this work we use the Random Walk Numerical Simulation (RWNS)
method to model the ... [+]
Many recent advances in novel solar cell technologies are based on charge separation in disordered
semiconductor heterojunctions. In this work we use the Random Walk Numerical Simulation (RWNS)
method to model the dynamics of electrons and holes in two disordered semiconductors in contact.
Miller–Abrahams hopping rates and a tunnelling distance-dependent electron–hole annihilation mechanism
are used to model transport and recombination, respectively. To test the validity of the model,
three numerical ‘‘experiments’’ have been devised: (1) in the absence of constant illumination, charge
separation has been quantified by computing surface photovoltage (SPV) transients. (2) By applying a
continuous generation of electron–hole pairs, the model can be used to simulate a solar cell under
steady-state conditions. This has been exploited to calculate open-circuit voltages and recombination
currents for an archetypical bulk heterojunction solar cell (BHJ). (3) The calculations have been extended to
nanostructured solar cells with inorganic sensitizers to study, specifically, non-ideality in the recombination rate.
The RWNS model in combination with exponential disorder and an activated tunnelling mechanism for
transport and recombination is shown to reproduce correctly charge separation parameters in these three
‘‘experiments’’. This provides a theoretical basis to study relevant features of novel solar cell technologies. [-]
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