Effect of particle insertion on Poly(3-hexylthiophene) brush’s π-π stacking
COMPUTATIONAL MATERIALS SCIENCE(2023)
摘要
•Using MD simulations, we quantify the influence of a particle penetrating into a P3HT brush.•Counterintuitively, we find that the particle leads to an increase in the number of π-π -bonds within the brush, which we attribute to local crowding effects.
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关键词
brushs,particle insertion,poly3-hexylthiophene
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