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Advanced Materials, ISSN 0935-9648, 04/2019, Volume 31, Issue 17, pp. e1900355 - n/a
While the search for 2D organic semimetallic Dirac materials displaying, like graphene, a Dirac cone at the Fermi level remains active, attention is also being... 
organic semiconductors | Hubbard model | magnetic properties | density‐functional theory calculations | Antiferromagnetism | Phase diagrams | Spin liquid | Honeycomb construction | Graphene | Two dimensional models | Coupling | Phase transitions
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 10/2016, Volume 55, Issue 42, pp. 12996 - 13000
Branched‐alkyl‐substituted poly(thieno[3,4‐c]pyrrole‐4,6‐dione‐alt‐3,4‐difluorothiophene) (PTPD[2F]T) can be used as a polymer acceptor in bulk heterojunction... 
density-functional calculations | electron microscopy | polymers | solar cells | materials science | HIGH-PERFORMANCE | POWER CONVERSION EFFICIENCY | ELECTRON-MOBILITY | CONJUGATED POLYMERS | DONOR | ABSORPTION | CHEMISTRY, MULTIDISCIPLINARY | Solar cells | Thiophene | Polymer industry | Solar batteries | Polymers | Resveratrol | Photovoltaic cells | Fullerenes | Chains (polymeric)
Journal Article
ISSN 1463-9076, 10/2014, Volume 16, Issue 44, pp. 24592 - 24597
Linear and non-linear optical properties of indeno[2,1- b ]fluorene ( 1 ) and its structural isomers with 20 π-electrons have been studied using many body... 
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 01/2018, Volume 57, Issue 2, pp. 531 - 535
Journal Article
Chemistry of Materials, ISSN 0897-4756, 2019
Journal Article
Chemistry of Materials, ISSN 0897-4756, 05/2019, Volume 31, Issue 9, pp. 3051 - 3065
Journal Article
Chemistry of Materials, ISSN 0897-4756, 12/2016, Volume 28, Issue 23, pp. 8504 - 8512
Polycyclic aromatic hydrocarbons (PAHs) have been widely explored as molecular semiconductors in organic electronic devices such as field-effect transistors or... 
DENSITY FUNCTIONALS | OXYGEN | MULTICENTER BOND INDEXES | DIELS-ALDER REACTIONS | PENTACENE DERIVATIVES | MOBILITY | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHARGE-TRANSPORT | CHEMISTRY, PHYSICAL | THIN-FILM TRANSISTORS | POLARIZATION | SINGLET
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 10/2014, Volume 16, Issue 44, pp. 24592 - 24597
Linear and non-linear optical properties of indeno[2,1-b]fluorene (1) and its structural isomers with 20 pi-electrons have been studied using many body... 
PERTURBATION-THEORY | CHARACTERIZING UNPAIRED ELECTRONS | SUBSTITUTED POLYENES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | 2ND HYPERPOLARIZABILITIES | CHAINS | POLARIZATION | HYDROCARBON | DIRADICAL CHARACTER
Journal Article
The journal of physical chemistry. A, ISSN 1089-5639, 01/2020, Volume 124, Issue 1, pp. 255 - 255
Journal Article
Chemistry of Materials, ISSN 0897-4756, 06/2019, Volume 31, Issue 11, pp. 3957 - 3966
The development of semiconducting conjugated polymers for organic field effect transistors (OFETs) has been the focus of intense research efforts for their key... 
AMBIPOLAR TRANSPORT | DIIMIDE | POLARONS | CONJUGATED POLYMERS | MOBILITY | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | ENERGY-TRANSFER | COPOLYMERS | ORGANIC SEMICONDUCTORS | FIELD-EFFECT TRANSISTORS | MICROSTRUCTURE
Journal Article
Physical Review B (Condensed Matter and Materials Physics), ISSN 1098-0121, 11/2012, Volume 86, Issue 18
We present compelling theoretical results showing that fused azulene molecules are strong candidates for exhibiting room temperature multiferroic behavior,... 
Ferroelectricity | Ferroelectric materials | Condensed matter | Ferromagnetism | Azulene
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 05/2014, Volume 118, Issue 20, pp. 10855 - 10858
We analyze the transmission of narrow semiconducting nanoribbons designed from two-dimensional (2D) layered materials such as graphene, silicene, hexagonal... 
ELECTRON | TRANSPORT-PROPERTIES | MATERIALS SCIENCE, MULTIDISCIPLINARY | GRAPHENE | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | NANOPORES | NUCLEIC-ACIDS
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 11/2012, Volume 86, Issue 18
We present compelling theoretical results showing that fused azulene molecules are strong candidates for exhibiting room temperature multiferroic behavior,... 
PHYSICS, CONDENSED MATTER | DENSITY-MATRIX RENORMALIZATION | Physics - Strongly Correlated Electrons
Journal Article
Macromolecules, ISSN 0024-9297, 09/2018, Volume 51, Issue 18, pp. 7320 - 7328
Conjugated monomers and polymers containing 2,2′-bithiazole (BTz) and naphthalene diimide (NDI) units in the main chain were prepared. Polymer PNDI2Tz was... 
TRANSISTORS | POLYMER SCIENCE | SOLAR-CELLS | PERFORMANCE | POLYTHIOPHENE | CHARGE-TRANSPORT | COPOLYMERS | ORGANIC SEMICONDUCTORS | AGGREGATION | EXCITED-STATES | PREDICTION
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 08/2013, Volume 117, Issue 33, pp. 7804 - 7809
We study absorption spectra and two photon absorption coefficient of expanded porphyrins (EPs) by the density matrix renormalization group (DMRG) technique. We... 
QUANTUM RENORMALIZATION-GROUPS | 2-PHOTON ABSORPTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | STRUCTURAL-CHARACTERIZATION | HEXAPHYRINS | RUBYRIN | Quantum Theory | Molecular Structure | Optical Phenomena | Porphyrins - chemistry | Charge density | Carbon-carbon composites | Pyrroles | EPS | Excitation | Carbon | Bonding | Porphyrins
Journal Article
Nano letters, ISSN 1530-6984, 01/2020
Covalent organic frameworks (COFs) are molecule-based 2D and 3D materials that possess a wide range of mechanical and electronic properties. We have performed... 
Journal Article
Chemistry of Materials, ISSN 0897-4756, 09/2019, Volume 31, Issue 17, pp. 7104 - 7111
Interlayer interactions play an important role in the formation of two-dimensional covalent organic frameworks (2D COFs), yet the effects of monomer structure... 
Materials Chemistry | Chemistry(all) | Chemical Engineering(all) | PLATFORM | CHEMISTRY, PHYSICAL | POLYMERIZATION | STABILITY | MATERIALS SCIENCE, MULTIDISCIPLINARY | GROWTH
Journal Article
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