Matches in SemOpenAlex for { <https://semopenalex.org/work/W2316351572> ?p ?o ?g. }
- W2316351572 endingPage "1623" @default.
- W2316351572 startingPage "1613" @default.
- W2316351572 abstract "There has been increasing interest in rational, computationally driven design methods for materials, including organic photovoltaics (OPVs). Our approach focuses on a screening pipeline, using a genetic algorithm for first stage screening and multiple filtering stages for further refinement. An important step forward is to expand our diversity of candidate compounds, including both synthetic and property-based measures of diversity. For example, top monomer pairs from our screening are all donor-donor (D-D) combinations, in contrast with the typical donor-acceptor (D-A) motif used in organic photovoltaics. We also find a strong sequence effect, in which the average HOMO-LUMO gap of tetramers changes by ∼0.2 eV as a function of monomer sequence (e.g., ABBA versus BAAB); this has rarely been explored in conjugated polymers. Beyond such optoelectronic optimization, we discuss other properties needed for high-efficiency organic solar cells, and applications of screening methods to other areas, including non-fullerene n-type materials, tandem cells, and improving charge and exciton transport." @default.
- W2316351572 created "2016-06-24" @default.
- W2316351572 creator A5060778234 @default.
- W2316351572 creator A5063141122 @default.
- W2316351572 creator A5067333728 @default.
- W2316351572 creator A5069354331 @default.
- W2316351572 date "2013-04-29" @default.
- W2316351572 modified "2023-10-16" @default.
- W2316351572 title "Efficient Computational Screening of Organic Polymer Photovoltaics" @default.
- W2316351572 cites W1969440376 @default.
- W2316351572 cites W1977245057 @default.
- W2316351572 cites W1980564784 @default.
- W2316351572 cites W1981329100 @default.
- W2316351572 cites W1981541921 @default.
- W2316351572 cites W1987031221 @default.
- W2316351572 cites W1988567331 @default.
- W2316351572 cites W1988636074 @default.
- W2316351572 cites W1991706820 @default.
- W2316351572 cites W1993540297 @default.
- W2316351572 cites W1995938801 @default.
- W2316351572 cites W1997312964 @default.
- W2316351572 cites W2000290293 @default.
- W2316351572 cites W2003209620 @default.
- W2316351572 cites W2005355378 @default.
- W2316351572 cites W2008621983 @default.
- W2316351572 cites W2009813094 @default.
- W2316351572 cites W2013772245 @default.
- W2316351572 cites W2013874603 @default.
- W2316351572 cites W2015197254 @default.
- W2316351572 cites W2016088184 @default.
- W2316351572 cites W2016589072 @default.
- W2316351572 cites W2017129882 @default.
- W2316351572 cites W2017256078 @default.
- W2316351572 cites W2017629110 @default.
- W2316351572 cites W2018591442 @default.
- W2316351572 cites W2021618226 @default.
- W2316351572 cites W2022080248 @default.
- W2316351572 cites W2022413225 @default.
- W2316351572 cites W2023949702 @default.
- W2316351572 cites W2029477513 @default.
- W2316351572 cites W2030368115 @default.
- W2316351572 cites W2033682908 @default.
- W2316351572 cites W2034771628 @default.
- W2316351572 cites W2038131865 @default.
- W2316351572 cites W2038617772 @default.
- W2316351572 cites W2040134054 @default.
- W2316351572 cites W2041859004 @default.
- W2316351572 cites W2044990793 @default.
- W2316351572 cites W2046855600 @default.
- W2316351572 cites W2047951832 @default.
- W2316351572 cites W2050419919 @default.
- W2316351572 cites W2051311193 @default.
- W2316351572 cites W2060221395 @default.
- W2316351572 cites W2064726267 @default.
- W2316351572 cites W2064944157 @default.
- W2316351572 cites W2067778667 @default.
- W2316351572 cites W2070010114 @default.
- W2316351572 cites W2071134066 @default.
- W2316351572 cites W2073729681 @default.
- W2316351572 cites W2073989922 @default.
- W2316351572 cites W2074545944 @default.
- W2316351572 cites W2075170421 @default.
- W2316351572 cites W2077973224 @default.
- W2316351572 cites W2078108662 @default.
- W2316351572 cites W2078201858 @default.
- W2316351572 cites W2081232414 @default.
- W2316351572 cites W2082557347 @default.
- W2316351572 cites W2084135044 @default.
- W2316351572 cites W2086079316 @default.
- W2316351572 cites W2087236956 @default.
- W2316351572 cites W2089913751 @default.
- W2316351572 cites W2098527861 @default.
- W2316351572 cites W2100606224 @default.
- W2316351572 cites W2104489082 @default.
- W2316351572 cites W2121120934 @default.
- W2316351572 cites W2121853844 @default.
- W2316351572 cites W2124047937 @default.
- W2316351572 cites W2134164499 @default.
- W2316351572 cites W2134955078 @default.
- W2316351572 cites W2144496629 @default.
- W2316351572 cites W2147421370 @default.
- W2316351572 cites W2147527734 @default.
- W2316351572 cites W2149442028 @default.
- W2316351572 cites W2151571625 @default.
- W2316351572 cites W2152533478 @default.
- W2316351572 cites W2156626926 @default.
- W2316351572 cites W2161782568 @default.
- W2316351572 cites W2163372781 @default.
- W2316351572 cites W2166114438 @default.
- W2316351572 cites W2169645044 @default.
- W2316351572 cites W2169678694 @default.
- W2316351572 cites W2174056229 @default.
- W2316351572 cites W2206840988 @default.
- W2316351572 cites W2313980624 @default.
- W2316351572 cites W2320608108 @default.
- W2316351572 cites W2322946921 @default.
- W2316351572 cites W2323662954 @default.
- W2316351572 cites W2325162323 @default.