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Accounts of Chemical Research, ISSN 0001-4842, 06/2013, Volume 46, Issue 6, pp. 1330 - 1338
Singlet exciton fission is the process in conjugated organic molecules bywhich a photogenerated singlet exciton couples to a nearby chromophore in the ground... 
THIN-FILMS | TRIPLET EXCITONS | ORGANIC SOLAR-CELLS | FLUORESCENCE | HETEROJUNCTIONS | SPECTROSCOPY | GENERATION | TRANSITIONS | ABSORPTION | CHEMISTRY, MULTIDISCIPLINARY | CRYSTALLINE TETRACENE | Exciton theory | Polycrystalline semiconductors | Research | Chemical properties | Electric properties | Solar cells | Spectroscopy | Pentacene | Photovoltaic cells | Excitation spectra | Excitation | Devices | Fission
Journal Article
Physical Review Letters, ISSN 0031-9007, 12/2017, Volume 119, Issue 26, p. 267401
We develop a new first-principles approach to predict and understand rates of singlet fission with an ab initio Green's-function formalism based on many-body... 
INSULATORS | ELECTRON-HOLE EXCITATIONS | PHYSICS, MULTIDISCIPLINARY | SEMICONDUCTORS | EXCITON-FISSION | STATE | POLYCRYSTALLINE PENTACENE | QUASI-PARTICLE | TETRACENE | GENERATION | 1ST PRINCIPLES | Physics - Materials Science
Journal Article
Nature Materials, ISSN 1476-1122, 11/2014, Volume 13, Issue 11, pp. 1033 - 1038
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 05/2015, Volume 54, Issue 21, pp. 6222 - 6226
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2018, Volume 148, Issue 24, p. 244701
We extend the vibronic exciton theory introduced in our previous work to study singlet fission dynamics, in particular addressing recent indications of the... 
KINETICS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | STATE | POLYCRYSTALLINE PENTACENE | INTERFERENCE | ABSORPTION | MODEL | SPECTRA | Coupling (molecular) | Thermodynamics | Dynamic tests | Excitons | Fission
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 06/2008, Volume 103, Issue 11, pp. 114513 - 114513-12
Grain boundaries play an important role in determining the electrical, mechanical, and optical properties of polycrystalline thin films. A side-disubstituted... 
PHYSICS, APPLIED | FUNCTIONALIZED PENTACENE | ELECTRICAL CHARACTERISTICS | DEPENDENT MOBILITY | POLYCRYSTALLINE SILICON | BATIO3 CERAMICS | PROBE FORCE MICROSCOPY | BIS(TRIISOPROPYLSILYLETHYNYL) PENTACENE | FIELD-EFFECT TRANSISTORS | CONTACT RESISTANCE | ORGANIC-CRYSTALS | Evaluation | Holes (Electron deficiencies) | Thin film devices | Analysis | Hysteresis
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 05/2015, Volume 17, Issue 21, pp. 13904 - 13914
We unravel intriguing dynamical diradical behavior governed by structural fluctuation in pentacene using ab initiomolecular dynamics simulation. In contrast to... 
Carbon-carbon composites | Pentacene | Vibration | Dynamics | Fluctuation | Crosslinking | Molecular orbitals | Ground state
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 06/2015, Volume 17, Issue 21, pp. 13904 - 13914
We unravel intriguing dynamical diradical behavior governed by structural fluctuation in pentacene using ab initio molecular dynamics simulation. In contrast... 
HIGH-SPIN | ELECTRONIC-PROPERTIES | SINGLET EXCITON FISSION | FUNCTIONALIZED ACENES | GROUND-STATE | 2-PHOTON ABSORPTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | TRIPLET ENERGY-GAP | CHEMISTRY, PHYSICAL | POLYCRYSTALLINE PENTACENE | ORGANIC SEMICONDUCTORS | OLIGOACENE CRYSTALS
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 01/2015, Volume 11, Issue 1, pp. 147 - 156
The lowest-lying electronic excited states of pentacene and its oligomers are investigated using accurate multireference wave function methods (CASPT2/CASSCF)... 
TRIPLET EXCITONS | ANO BASIS-SETS | PERTURBATION-THEORY | SOLAR-CELLS | ANTHRACENE-CRYSTALS | TETRACENE CRYSTALS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MOLECULAR WAVE-FUNCTIONS | POLYCRYSTALLINE PENTACENE | QUASI-PARTICLE | CHARGE-TRANSFER
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 6, pp. 4809 - 4820
We compare the ultrafast dynamics of singlet fission and charge generation in pentacene films grown on glass and graphene. Pentacene grown on graphene is... 
THIN-FILMS | ENERGY-TRANSFER DYNAMICS | ORGANIC SOLAR-CELLS | CHARGE-CARRIER GENERATION | MOLECULAR-CRYSTALS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | STATE | SINGLET FISSION | POLYCRYSTALLINE PENTACENE | BULK HETEROJUNCTION | CRYSTALLINE TETRACENE | Pentacene | Absorption | Anisotropy | Graphene | Fluence | Dynamics | Glass | Spectra
Journal Article
Organic Electronics, ISSN 1566-1199, 2012, Volume 13, Issue 1, pp. 58 - 65
► We investigate structural and electronic properties of molecular doped pentacene. ► We employ two strong acceptor materials F4-TCNQ and F6-TCNNQ. ► We reveal... 
Charge carrier transport | Organic semiconductors | Doping induced structural transition | Polycrystalline organic semiconductors | Molecular doping | TRANSPORT | PHYSICS, APPLIED | TEMPERATURE | DIELECTRICS | CRYSTAL-STRUCTURE | MATERIALS SCIENCE, MULTIDISCIPLINARY | DIODES | Semiconductors
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 17, pp. 10854 - 10862
We present a multi-scale model for charge transport across grain boundaries in molecular electronic materials that incorporates packing disorder, electrostatic... 
PROCESSED ORGANIC SEMICONDUCTOR | POLYCRYSTALLINE SILICON FILMS | ORDER | POLYMERS | EFFECT MOBILITY | HETEROJUNCTIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ENERGETICS | CHEMISTRY, PHYSICAL | FIELD-EFFECT TRANSISTORS | MICROSTRUCTURE | MORPHOLOGY
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 08/2014, Volume 90, Issue 7
Singlet fission into a pair of triplet excitons in pentacene is envisaged to be a potential carrier multiplication route in organic photovoltaics. In order to... 
THIN-FILMS | PHYSICS, CONDENSED MATTER | SOLAR-CELLS | PUMP-PROBE SPECTROSCOPY | DYNAMICS | EXCITON FISSION | POLYCRYSTALLINE PENTACENE | GENERATION | ORGANIC SEMICONDUCTORS | SINGLET-FISSION
Journal Article
Microelectronic Engineering, ISSN 0167-9317, 04/2010, Volume 87, Issue 4, pp. 635 - 640
Journal Article
Physical Review Letters, ISSN 0031-9007, 10/2009, Volume 103, Issue 14, p. 146102
We have observed, by high-resolution cross-sectional transmission electron microscopy, the first direct evidence of polymorphic transformation in pentacene... 
TRANSISTORS | TRANSPORT | PHYSICS, MULTIDISCIPLINARY | GROWTH | X-RAY-DIFFRACTION | EVAPORATED PENTACENE | STRESS | IDENTIFICATION | ELECTRONICS | MORPHOLOGY | POLYCRYSTALLINE
Journal Article