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ISSN 1463-9076, 4/2019, Volume 21, Issue 15, pp. 782 - 7813
For organic semiconductors, the solid-state packing of the π-conjugated molecules or polymers dictate the material electronic, optical, and mechanical... 
Journal Article
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 15, pp. 7802 - 7813
For organic semiconductors, the solid-state packing of the π-conjugated molecules or polymers dictate the material electronic, optical, and mechanical... 
Solar cells | Semiconductors | Molecular structure | Mechanical properties | Molecular dynamics | Organic chemistry | Solid state | Polymer chemistry | Copolymers | Simulation | Photovoltaic cells | Organic semiconductors | Polymers | Material properties
Journal Article
Chemistry of Materials, ISSN 0897-4756, 01/2016, Volume 28, Issue 1, pp. 3 - 16
Noncovalent intermolecular interactions, which can be tuned through the toolbox of synthetic chemistry, determine not only the molecular packing but also the... 
EXCHANGE-CORRELATION ENERGY | HARTREE-FOCK MODEL | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHARGE-TRANSPORT | CARRIER TRANSPORT | CHEMISTRY, PHYSICAL | THIN-FILM TRANSISTORS | DENSITY-FUNCTIONAL THEORY | DER-WAALS INTERACTIONS | PI-PI INTERACTIONS | FIELD-EFFECT TRANSISTORS | RUBRENE SINGLE-CRYSTALS
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 03/2010, Volume 132, Issue 12, pp. 4358 - 4368
Journal Article
Topics in Current Chemistry, ISSN 0340-1022, 2014, Volume 352, pp. 1 - 38
Recent improvements in the power conversion efficiencies of organic solar cells have been derived through a combination of new materials, processing, and... 
Organic solar cells | Donor-acceptor copolymers | Electronic structure methods
Conference Proceeding
Nature Materials, ISSN 1476-1122, 12/2013, Volume 12, Issue 12, pp. 1084 - 1085
Journal Article
Nature Materials, ISSN 1476-1122, 12/2013, Volume 12, Issue 12, pp. 1084 - 1085
  Traps in organic semiconducting crystals are healed when a peruoropolyether oil is deposited on the surface of these materials, thus making possible the... 
CHARGE-TRANSPORT | CHEMISTRY, PHYSICAL | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | MATERIALS SCIENCE, MULTIDISCIPLINARY | Semiconductors | Materials science | Crystallography
Journal Article
Macromolecules, ISSN 0024-9297, 08/2012, Volume 45, Issue 16, pp. 6405 - 6414
We systematically investigate at the density functional theory level how changes to the chemical structure of donor–acceptor copolymers used in a number of... 
BENZOTHIADIAZOLE | POLYMER SOLAR-CELLS | RADICAL-ANIONS | POLYMER SCIENCE | PERFORMANCE | TRANSFER EXCITED-STATES | AB-INITIO | SEMICONDUCTING POLYMERS | DENSITY-FUNCTIONAL THEORY | BAND-GAP POLYMER | CONJUGATED COPOLYMERS
Journal Article
Journal of Polymer Science Part B: Polymer Physics, ISSN 0887-6266, 07/2015, Volume 53, Issue 13, pp. 934 - 942
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 05/2012, Volume 134, Issue 21, pp. 8944 - 8957
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 04/2014, Volume 136, Issue 17, pp. 6421 - 6427
Polarization energy corresponds to the stabilization of the cation or anion state of an atom or molecule when going from the gas phase to the solid state. The... 
PERTURBATION-THEORY | DATABASE | BENZENE DIMERS | CHARGE-TRANSPORT | EXCITON FISSION | STATE | MODEL | SANDWICH | DERIVATIVES | CHEMISTRY, MULTIDISCIPLINARY | PI INTERACTION ENERGIES | Organic semiconductors | Usage | Polarization (Light) | Research | Quantum theory
Journal Article
Chemical Science, ISSN 2041-6520, 07/2011, Volume 2, Issue 7, pp. 1200 - 1218
Journal Article