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Simulation of the Morphology in Bulk Heterojunction Solar Cells

Author: XueJunWei
Tutor: LiYouYong
School: Suzhou University
Course: Inorganic Chemistry
Keywords: polymer solar cell morphology Mesodyn DPD simulation
CLC: TM914.4
Type: Master's thesis
Year: 2012
Downloads: 33
Quote: 0
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Abstract


The performance of bulk heterojunction (BHJ) polymer solar cells stronglydepends on its morphology of its photo-active layer. Current state-of-the-art approachestowards tailoring the manufacturing process are limited to combinatorialtrial-and-error-based experimental investigations. Furthermore, the inability toexperimentally visualize morphology evolution hinders the ability to quantify the effectof various process and system variables on morphology evolution.Firstly, we combine atomistic simulation with mesoscale simulation (Mesodyn) topredict the morphology evolution of BHJ solar cells successfully. Our simulation resultsindicate that the enhanced phase separation, which is achieved by increasing thetemperature, is the major reason of improving performance. We show that goodmorphology is formed for volume fraction of PCBM in the region of0.3~0.5, whichcorresponds to0.41~0.62weight percentage, for P3HT/PCBM BHJ solar cells. And wefind that Flory-Huggins parameter χ>1is required for successful phase separation andgood morphology.Secondly, Dissipative particle dynamic was used to predict the morphologyevolution of the process of solution-based spin cast into thin film, the thermal annealing,the existence of process additives. The extent of phase separation between polymer andfullerene becomes larger with the reducing of solvent. Our simulation results indicatethat the enhanced phase separation by increasing the temperature is in line with in situTEM results. The function of adding additive is to impel the aggregation of one of thecomponents and increase the extent of phase separation. Additionally, some importantparameters including annealing temperature, blending ratio and Flory-Hugginsinteraction parameters are also studied.

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CLC: > Industrial Technology > Electrotechnical > Independent power supply technology (direct power) > Photocell > Solar cells
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