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Abstract
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Core–mantle nanohybrids were prepared via grafting the multi-walled carbon nanotubes (MWCNTs) with polyaniline
(PANI). Core–mantle–shell supramolecules were then designed by crystallization of poly(3-hexylthiophene) (P3HT) and
poly[benzodithiophene-bis(decyltetradecyl-thien) naphthothiadiazole] (PBDT-DTNT) conductive polymers onto core (CNT)–
mantle (PANI) nanostructures. Supramolecules were thoroughly investigated and applied in active layers of P3HT:phenylC71-butyric acid methyl ester (PC71BM) solar cells. Efcacies of 5.71% and 6.02% were acquired for photovoltaics based
on nanostructures having PBDT-DTNT and P3HT shells, respectively. Diameters of core(CNT)–mantle(PANI), core(CNT)–
mantle(PANI)–shell(P3HT), and core(CNT)–mantle(PANI)–shell(PBDT-DTNT) supramolecules ranged in 75–90 nm, 145–
160 nm, and 120–130 nm, respectively. The highest efciency (= 6.02%) was achieved for P3HT:PC71BM:CNT-graft-PANI/
P3HT systems without any post-treatment (13.42 mA/cm2, 0.68 V, and 66%). Charge mobilities were also very high for
corresponding electron-only (µe = 9.8 × 10−3 cm2/V s) and hole-only (µh = 5.0 × 10−3 cm2/V s) devices. PANI mantle may
act as both acceptor and donor in core–mantle–shell supramolecules. Core(CNT)–mantle(PANI)–shell(PBDT-DTNT) nanostructures also elevated photovoltaic efciency up to 5.71% (13.12 mA/cm2, 0.67 V, 65%, 4.7× 10−3 cm2/V s, and 9.0 × 10−3
cm2/V s). Results acquired for core(CNT)–mantle(PANI)–shell(P3HT)-based systems were somehow higher than those
recorded for core(CNT)–mantle(PANI)–shell(PBDT-DTNT)-based ones. It could be assigned to consistency of P3HT shells
and P3HT host chains in bulk of P3HT:PC71BM active layer. P3HT backbones owing to their simpler chemical structures
were also capable of arranging more ordered shells, leading to larger charge mobilities and currents.
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