Electrical characteristics of zinc oxide-organic semiconductor lateral heterostructure based hybrid field-effect bipolar transistors
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Cites background or methods from "Electrical characteristics of zinc ..."
...Thebinding energies (EBE)were calculatedusing theminimized energy for each structure, EBE[(7,5) SWNT/PSC]= E[(7,5) SWNT/ PSC] E[(7,5) SWNT] E[PSC]....
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...The optimized model structure of the (7,5) sc-CNT and PSCs and their densities of states....
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...However, as side-chain length increases from a hexyl to dodecyl group, the EBE[(7,5) SWNT/PQTBTz-C12] increases by 1.73 eV, which suggests that PSCs with a longer side chains can more effectively interact with SWNTs....
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...To further investigate the electrostatic interactions of the heterostructure, first-principles calculations based on the density functional theory (DFT), including van der Waals interactions,(43) 47 were employed to investigate the nanohybrids with heterostructures for (7,5) sc-SWNT and PSCs as well as assess the effect of the PSC structure [(1) polymer backbone, (2) side-chain length] on charge transfer and binding energy in the nanohybrid....
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...The highest occupied molecular orbital (HOMO)/lowest unoccupied molecular orbital (LUMO) levels for a single strand of semiconducting (7,5) SWNT and P3HT were calculated to be 5....
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