Matches in SemOpenAlex for { <https://semopenalex.org/work/W1871782017> ?p ?o ?g. }
- W1871782017 endingPage "22376" @default.
- W1871782017 startingPage "22367" @default.
- W1871782017 abstract "Fossil fuel alternatives, such as solar energy, are moving to the forefront in a variety of research fields. Polymer solar cells (PSCs) hold promise for their potential to be used as low-cost and efficient solar energy converters. PSCs have been commonly made from bicontinuous polymer:fullerene composites or so-called bulk heterojunctions. The conjugated polymer donors and the fullerene derivative acceptors are the key materials for high performance PSCs. In the present study, we have performed density functional theory calculations to investigate the electronic structures and magnetic properties of several representative C60 fullerene derivatives, seeking ways to improve their efficiency as acceptors of photovoltaic devices. In our survey, we have successfully correlated the LUMO energy level as well as chemical hardness, hyper-hardness, nucleus-independent chemical shift, and static dipole polarizability of PC60BM-like fullerene derivative acceptors with the experimental open circuit voltage of the photovoltaic device based on the P3HT:fullerene blend. The obtained structure-property correlations allow finding the best fullerene acceptor match for the P3HT donor. For this purpose, four new fullerene derivatives are proposed and the output parameters for the corresponding P3HT-based devices are predicted. It is found that the proposed fullerene derivatives exhibit better photovoltaic properties than the traditional PC60BM acceptor. The present study opens the way for manipulating fullerene derivatives and developing promising acceptors for solar cell applications." @default.
- W1871782017 created "2016-06-24" @default.
- W1871782017 creator A5004562692 @default.
- W1871782017 creator A5029287266 @default.
- W1871782017 date "2015-01-01" @default.
- W1871782017 modified "2023-09-25" @default.
- W1871782017 title "Fullerene-based materials for solar cell applications: design of novel acceptors for efficient polymer solar cells – a DFT study" @default.
- W1871782017 cites W1591883199 @default.
- W1871782017 cites W1967485904 @default.
- W1871782017 cites W1980954971 @default.
- W1871782017 cites W1981368803 @default.
- W1871782017 cites W1987710342 @default.
- W1871782017 cites W1988172307 @default.
- W1871782017 cites W1991876009 @default.
- W1871782017 cites W1995173183 @default.
- W1871782017 cites W1997207267 @default.
- W1871782017 cites W2000877542 @default.
- W1871782017 cites W2003350932 @default.
- W1871782017 cites W2007477411 @default.
- W1871782017 cites W2009679605 @default.
- W1871782017 cites W2017040165 @default.
- W1871782017 cites W2018094686 @default.
- W1871782017 cites W2018271271 @default.
- W1871782017 cites W2018384868 @default.
- W1871782017 cites W2019310480 @default.
- W1871782017 cites W2024954708 @default.
- W1871782017 cites W2032719166 @default.
- W1871782017 cites W2035887397 @default.
- W1871782017 cites W2041118010 @default.
- W1871782017 cites W2042632431 @default.
- W1871782017 cites W2047951832 @default.
- W1871782017 cites W2050117996 @default.
- W1871782017 cites W2050967026 @default.
- W1871782017 cites W2051159909 @default.
- W1871782017 cites W2053248916 @default.
- W1871782017 cites W2053924787 @default.
- W1871782017 cites W2055499045 @default.
- W1871782017 cites W2062304868 @default.
- W1871782017 cites W2065127579 @default.
- W1871782017 cites W2067641275 @default.
- W1871782017 cites W2067760605 @default.
- W1871782017 cites W2070005238 @default.
- W1871782017 cites W2071134066 @default.
- W1871782017 cites W2072760390 @default.
- W1871782017 cites W2072869112 @default.
- W1871782017 cites W2078515726 @default.
- W1871782017 cites W2079245444 @default.
- W1871782017 cites W2081071300 @default.
- W1871782017 cites W2083959309 @default.
- W1871782017 cites W2087536963 @default.
- W1871782017 cites W2088495873 @default.
- W1871782017 cites W2099699032 @default.
- W1871782017 cites W2100077118 @default.
- W1871782017 cites W2108751529 @default.
- W1871782017 cites W2124057771 @default.
- W1871782017 cites W2124790005 @default.
- W1871782017 cites W2126031985 @default.
- W1871782017 cites W2129185952 @default.
- W1871782017 cites W2133899668 @default.
- W1871782017 cites W2135865322 @default.
- W1871782017 cites W2136580170 @default.
- W1871782017 cites W2141207815 @default.
- W1871782017 cites W2142626370 @default.
- W1871782017 cites W2144985121 @default.
- W1871782017 cites W2161560766 @default.
- W1871782017 cites W2951826594 @default.
- W1871782017 cites W4211160986 @default.
- W1871782017 cites W4252315461 @default.
- W1871782017 cites W4362064739 @default.
- W1871782017 cites W1983179958 @default.
- W1871782017 doi "https://doi.org/10.1039/c5cp02453f" @default.
- W1871782017 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26248255" @default.
- W1871782017 hasPublicationYear "2015" @default.
- W1871782017 type Work @default.
- W1871782017 sameAs 1871782017 @default.
- W1871782017 citedByCount "54" @default.
- W1871782017 countsByYear W18717820172016 @default.
- W1871782017 countsByYear W18717820172017 @default.
- W1871782017 countsByYear W18717820172018 @default.
- W1871782017 countsByYear W18717820172019 @default.
- W1871782017 countsByYear W18717820172020 @default.
- W1871782017 countsByYear W18717820172021 @default.
- W1871782017 countsByYear W18717820172022 @default.
- W1871782017 countsByYear W18717820172023 @default.
- W1871782017 crossrefType "journal-article" @default.
- W1871782017 hasAuthorship W1871782017A5004562692 @default.
- W1871782017 hasAuthorship W1871782017A5029287266 @default.
- W1871782017 hasConcept C121332964 @default.
- W1871782017 hasConcept C147597530 @default.
- W1871782017 hasConcept C152365726 @default.
- W1871782017 hasConcept C159467904 @default.
- W1871782017 hasConcept C159985019 @default.
- W1871782017 hasConcept C162862793 @default.
- W1871782017 hasConcept C171250308 @default.
- W1871782017 hasConcept C178790620 @default.
- W1871782017 hasConcept C185592680 @default.
- W1871782017 hasConcept C18903297 @default.
- W1871782017 hasConcept C192562407 @default.