Journal
JOURNAL OF MATERIALS CHEMISTRY
Volume 22, Issue 12, Pages 5700-5705Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2jm16474d
Keywords
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Funding
- National High Technology Research and Development Program [863]
- Chinese Academy of Sciences
- NSFC [2011AA050523, 20874106, 20821120293]
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An investigation on the opto-electronic and photovoltaic properties of a pair of alkoxy substituted quinoxaline-based copolymers PTTQx is performed in order to describe the effect of changing the position of alkoxy substituents on the peripheral phenyl rings. The copolymer with meta-positioned alkoxy showed lower HOMO and LUMO levels and a higher V-oc of 0.73 V, while the copolymer with para-positioned alkoxy displayed higher HOMO and LUMO levels and lower V-oc of 0.60 V when a polymer/PC71BM blend film was used as the active layer in polymer solar cells (PSCs) under AM 1.5 G irradiation (100 mW cm(-2)). With the good agreement between theoretical calculation and experimental observation, it has been observed that the effect of the substituents depends on the position of the alkoxy group which exhibits a stronger electron donating effect in the para-position than in the meta-position. The resonance electron donating effect of the alkoxy group on the para-position can elevate the HOMO and LUMO levels simultaneously, while this effect is not obviously reflected on the meta-position. Therefore, PTTQx-m exhibits lower HOMO level, higher V-oc correspondingly and thereby higher PCE of the PSCs based on it.
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