Structure and X-ray spectrum of crystalline poly(3-hexylthiophene) from DFT-van der Waals calculations
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Title
Structure and X-ray spectrum of crystalline poly(3-hexylthiophene) from DFT-van der Waals calculations
Authors
Keywords
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Journal
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
Volume 248, Issue 6, Pages 1360-1368
Publisher
Wiley
Online
2011-01-20
DOI
10.1002/pssb.201046429
References
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Note: Only part of the references are listed.- Packing Structure of Poly(3-hexylthiophene) Crystal: Ab Initio and Molecular Dynamics Studies
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- Energetics of excited states in the conjugated polymer poly(3-hexylthiophene)
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- Charge-Transport Anisotropy Due to Grain Boundaries in Directionally Crystallized Thin Films of Regioregular Poly(3-hexylthiophene)
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- Determining exciton bandwidth and film microstructure in polythiophene films using linear absorption spectroscopy
- (2009) Jenny Clark et al. APPLIED PHYSICS LETTERS
- Determining exciton coherence from the photoluminescence spectral line shape in poly(3-hexylthiophene) thin films
- (2009) Frank C. Spano et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular Weight Dependence of Chain Packing and Semicrystalline Structure in Oriented Films of Regioregular Poly(3-hexylthiophene) Revealed by High-Resolution Transmission Electron Microscopy
- (2009) Martin Brinkmann et al. MACROMOLECULES
- Controlling Poly(3-hexylthiophene) Crystal Dimension: Nanowhiskers and Nanoribbons
- (2009) Jianhua Liu et al. MACROMOLECULES
- Structural and electronic properties of poly(3-hexylthiophene)π-stacked crystals
- (2009) Arnaud Maillard et al. PHYSICAL REVIEW B
- Charge Transport, Nanostructure, and the Mott Insulator-to-Metal Transition in Poly(3-hexylthiophene)
- (2008) L. G. Kaake et al. Journal of Physical Chemistry C
- Thickness Dependence of the Crystalline Structure and Hole Mobility in Thin Films of Low Molecular Weight Poly(3-hexylthiophene)
- (2008) Siddharth Joshi et al. MACROMOLECULES
- X-ray structural and crystallinity studies of low and high molecular weight poly(3-hexylthiophene)
- (2008) S. Joshi et al. PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
- B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
- (2007) Bartolomeo Civalleri et al. CRYSTENGCOMM
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