Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 118, Issue 42, Pages 24688-24696Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp508520x
Keywords
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Funding
- National Science Foundation [DMR-1105147, CHE-0234489, 21473043]
- NSF Graduate Research Fellowship Program [DGE-0907738]
- National Research Foundation, Prime Minister's Office, Singapore
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1105147] Funding Source: National Science Foundation
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In this work we have revisited the charge-transfer crystal system peryleneTCNQ and found that this complex can crystallize with a 2:1 stoichiometric ratio in addition to the 1:1 and 3:1 stoichiometries previously observed. The vibrational and electronic properties of these peryleneTCNQ charge-transfer crystals have been investigated by means of Raman scattering measurements and density functional theory calculations. Electrical measurements were also performed by preparing organic field-effect transistors (OFETs) from the crystals. The Raman spectra in the low-frequency range (below 200 cm(1)) are found to be unique to the specific crystal structure and can therefore be used to determine the stoichiometry. The Raman data and the X-ray diffraction measurements indicate that at room temperature the amount of charge transferred to the TCNQ molecule is less than 0.2e for all three compounds, and is nearly the same in P1T1 and P2T1 but is slightly larger in P3T1. The electronic structure calculations suggest good intrinsic charge transport properties for both holes and electrons in P1T1 and P2T1 and only for holes in P3T1. Ambipolar charge transport characteristics were found for P2T1 and hole and electron charge transport characteristics were found in P3T1 and P1T1, respectively.
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