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E-mail: sungu@pusan.ac.krReceived September 13, 2012, Accepted October 24, 2012Key Words : DFT, Packing, ThiopheneBulk-heterojunction polymer solar cells have attractedmuch attention due to their many advantages, which includemechanical flexibility, cost-effective low temperature pro-cessing, and tunable optoelectronic properties.

Density Functional Theoretical Study on the Interchain Packing in Thiophene-Benzothiadiazole Based Polymers