Journal
CRYSTENGCOMM
Volume 21, Issue 30, Pages 4507-4512Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9ce00961b
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Funding
- National Natural Science Foundation of China [11604133, 11874174, 11674144, 61775089]
- National Key RAMP
- D Program of China [2016YFB0402105]
- Natural Science Foundation of Shandong Province [ZR2017QA013, JQ201602, Z2018S008, ZR2018MA038]
- Industrial Alliance Fund of Shandong Provincial Key Laboratory [SDKL2016038]
- Open Project of State Key Laboratory of Superhard Materials (Jilin University) [201503, 201612]
- Initial Foundation for Doctor Program of Liaocheng University [318051612, 318051610]
- Special Construction Project Fund for Shandong Province Taishan Scholars
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The dielectric properties and the role of grain boundaries in polycrystalline tetracene were studied at pressures of up to 21.3 GPa using in situ impedance spectroscopy measurements. Two anomalous changes in some of the electrical parameters (resistance, relaxation frequency and relative permittivity) were found at 6.0 and 19.0 GPa, which were related to the structural rearrangement and condensation reaction processes, respectively. Within this pressure range, grain boundaries play an important role in polycrystalline tetracene's conduction mechanism. Based on first-principles calculations, it was found that the variation in bulk resistance under pressure was mainly caused by a change of band gap. Intermolecular interactions are more sensitive to pressure than intramolecular interactions. The decrease in the relative permittivity under pressure indicates the existence of space charge polarization of the interface layer in addition to electronic polarization.
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