Matches in SemOpenAlex for { <https://semopenalex.org/work/W2277262442> ?p ?o ?g. }
- W2277262442 endingPage "27918" @default.
- W2277262442 startingPage "27909" @default.
- W2277262442 abstract "Molecular modeling methods are used to understand the interfacial properties between the hole-transport and active layers in organic photovoltaic (OPV) devices. The hole-transport layer (HTL) consists of a blend of poly(styrene-sulfonate) and poly(3,4-ethylenedioxythiophene) (PEDOT:PSS), whereas the active layer (AL) consists of a blend of poly(3-hexylthiophene) and phenyl-C61-butyric acid methyl ester (P3HT:PCBM). Simulation results on the HTL confirm the interpenetrating lamellar structure with alternating PSS and PEDOT domains as observed in experiments. In addition, interfacial results show high PCBM interactions with the HTL, which result in PCBM migration to the HTL surface. The observed PCBM concentration profile is discussed from the perspective of attractive interactions, and it is shown that these interactions are governed by the side chain of PCBM. Calculations also suggest that OPV device performance could be improved by, for example, increasing the number of benzene rings and backbone −CH2– groups in the PCBM side chain, which would be expected to reduce PCBM concentration at the HTL surface. The results yield important insights into molecular interactions associated with the HTL and AL interfaces that contribute to final device morphology and thus provide guidelines toward materials design approaches for optimized device performance." @default.
- W2277262442 created "2016-06-24" @default.
- W2277262442 creator A5001854960 @default.
- W2277262442 creator A5023192577 @default.
- W2277262442 creator A5063917133 @default.
- W2277262442 creator A5069699045 @default.
- W2277262442 creator A5083112147 @default.
- W2277262442 date "2015-12-03" @default.
- W2277262442 modified "2023-10-14" @default.
- W2277262442 title "Molecular Modeling of Interfaces between Hole Transport and Active Layers in Flexible Organic Electronic Devices" @default.
- W2277262442 cites W1672666614 @default.
- W2277262442 cites W1966398746 @default.
- W2277262442 cites W1968425946 @default.
- W2277262442 cites W1970861745 @default.
- W2277262442 cites W1977249424 @default.
- W2277262442 cites W1979896757 @default.
- W2277262442 cites W1979969709 @default.
- W2277262442 cites W1980878352 @default.
- W2277262442 cites W1981267904 @default.
- W2277262442 cites W1984947470 @default.
- W2277262442 cites W1985746920 @default.
- W2277262442 cites W1986910059 @default.
- W2277262442 cites W1987222656 @default.
- W2277262442 cites W1987229291 @default.
- W2277262442 cites W1991794210 @default.
- W2277262442 cites W1993937532 @default.
- W2277262442 cites W2006879728 @default.
- W2277262442 cites W2007021342 @default.
- W2277262442 cites W2009932198 @default.
- W2277262442 cites W2011123594 @default.
- W2277262442 cites W2011379346 @default.
- W2277262442 cites W2014118668 @default.
- W2277262442 cites W2015688756 @default.
- W2277262442 cites W2019465613 @default.
- W2277262442 cites W2020708225 @default.
- W2277262442 cites W2023392376 @default.
- W2277262442 cites W2026389235 @default.
- W2277262442 cites W2029667189 @default.
- W2277262442 cites W2032411099 @default.
- W2277262442 cites W2032627604 @default.
- W2277262442 cites W2035315439 @default.
- W2277262442 cites W2036588504 @default.
- W2277262442 cites W2040410742 @default.
- W2277262442 cites W2043905677 @default.
- W2277262442 cites W2044205045 @default.
- W2277262442 cites W2045688835 @default.
- W2277262442 cites W2051316879 @default.
- W2277262442 cites W2053263166 @default.
- W2277262442 cites W2056941140 @default.
- W2277262442 cites W2058652480 @default.
- W2277262442 cites W2059077656 @default.
- W2277262442 cites W2064496858 @default.
- W2277262442 cites W2065276550 @default.
- W2277262442 cites W2066384548 @default.
- W2277262442 cites W2066839549 @default.
- W2277262442 cites W2068517706 @default.
- W2277262442 cites W2071938503 @default.
- W2277262442 cites W2072644760 @default.
- W2277262442 cites W2081525996 @default.
- W2277262442 cites W2083277424 @default.
- W2277262442 cites W2084398379 @default.
- W2277262442 cites W2084844327 @default.
- W2277262442 cites W2085879513 @default.
- W2277262442 cites W2089239244 @default.
- W2277262442 cites W2089743126 @default.
- W2277262442 cites W2090323769 @default.
- W2277262442 cites W2092032025 @default.
- W2277262442 cites W2093482917 @default.
- W2277262442 cites W2095577484 @default.
- W2277262442 cites W2098006793 @default.
- W2277262442 cites W2107029002 @default.
- W2277262442 cites W2108090162 @default.
- W2277262442 cites W2112796640 @default.
- W2277262442 cites W2114137626 @default.
- W2277262442 cites W2115150990 @default.
- W2277262442 cites W2122199548 @default.
- W2277262442 cites W2132012759 @default.
- W2277262442 cites W2139885564 @default.
- W2277262442 cites W2140310689 @default.
- W2277262442 cites W2144288821 @default.
- W2277262442 cites W2145763539 @default.
- W2277262442 cites W2147993766 @default.
- W2277262442 cites W2149836638 @default.
- W2277262442 cites W2156232652 @default.
- W2277262442 cites W2158112668 @default.
- W2277262442 cites W2164267023 @default.
- W2277262442 cites W2167029191 @default.
- W2277262442 cites W2168800785 @default.
- W2277262442 cites W2169498876 @default.
- W2277262442 cites W2171453757 @default.
- W2277262442 cites W2313162686 @default.
- W2277262442 cites W2321464104 @default.
- W2277262442 cites W4211160986 @default.
- W2277262442 cites W4239132388 @default.
- W2277262442 cites W4243137535 @default.
- W2277262442 cites W4243979002 @default.
- W2277262442 doi "https://doi.org/10.1021/acs.jpcc.5b09765" @default.
- W2277262442 hasPublicationYear "2015" @default.