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Computational Prediction Of Efficiency Parameters In Organic Solar Cells : From Polymer Donors And Non Fullerene Acceptors / Beräkningsförutsägelse av effektivitets parametrar i organiska solceller : Från polymeriska donatorer och icke fullerenska acceptorer

The field of organic solar cells is getting more and more attention as the need forrenewable energy sources rises. When developing new materials for organic solar cellssynthesizing the new materials, is a time consuming and costly process. Therefore acomputational model for predicting how effective a new material, is without the needfor synthesizing. In this thesis an attempt to create a model for predicting open circuitvoltage in organic solar cells. Descriptors was calculated using B3LYP/6-31G hybridfunctionals. By creating a data set of donor and acceptor molecules with known andunknown open circuit voltage, and empirically trying to find a correlation between thedata sets that can be extrapolated and modeled. The results of this thesis did notmeet the goal of creating a model for predicting the open circuit voltage. Where nosignificant correlation was found, due a to small sample size.

Identiferoai:union.ndltd.org:UPSALLA1/oai:DiVA.org:kau-90686
Date January 2022
CreatorsKarlsson, Martin
PublisherKarlstads universitet, Institutionen för ingenjörs- och kemivetenskaper (from 2013)
Source SetsDiVA Archive at Upsalla University
LanguageEnglish
Detected LanguageEnglish
TypeStudent thesis, info:eu-repo/semantics/bachelorThesis, text
Formatapplication/pdf, application/pdf
Rightsinfo:eu-repo/semantics/openAccess, info:eu-repo/semantics/openAccess

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