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2013
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Characterization of charge-carrier transport in semicrystalline polymers: Electronic couplings site energies and charge-carrier dynamics in poly(bithiophene-alt-thienothiophene) [PBTTT]
C. Poelking, E. Cho, A. Malafeev, V. Ivanov, K. Kremer, C. Risko, J.-L. Bredas, D. Andrienko
J. Phys. Chem. C,
117,
1633-1640,
2013,
[doi]
Molecular ordering and charge transport in a dicyanovinyl-substituted quaterthiophene thin film
C. Elschner, M. Schrader, R. Fitzner, A. A. Levin, P. Baeuerle, D. Andrienko, K. Leo, M. Riede
RSC Advances,
accepted,
2013,
Observing Charge Dynamics in Surface Reactions by Time-Resolved Stark Effects
M. Meister, B. Baumeier, N. Pschirer, R. Sens, I. Bruder, F. Laquai, D. Andrienko, I. Howard
J. Phys. Chem. C,
117,
9171-9177,
2013,
[doi]
Effcient simulation of Markov chains using segmentation
T. Brereton, O. Stenzel, B. Baumeier, D. Andrienko, V. Schmidt, D. Kroese
Methodol. Comput. Appl.,
accepted,
2013,
[doi]
Nematic ordering conjugation and density of states of soluble polymeric semiconductors
P. Gemuenden, C. Poelking, K. Kremer, D. Andrienko, K. Daoulas
submitted,
2013,
Two Channels of Charge Generation in Perylene Monoimide Solid-State Dye-Sensitized Solar Cells
M. Meister, I. Howard, B. Baumeier, H. Wonneberger, N. Pschirer, R. Sens, I. Bruder, L. Chen, K. Muellen, D. Andrienko, F. Laquai
submitted,
2013,
Effect of polymorphism regioregularity and paracrystallinity on charge transport in poly(3-hexyl-thiophene) [P3HT] nanofibers
C. Poelking, D. Andrienko
submitted,
2013,
Water-free proton conduction in hexakis(p-phosphonatophenyl)benzene nano-channels
C. Wehmeyer, M. Schrader, D. Andrienko, D. Sebastiani
submitted,
2013,
2012
Bilayer order in a polycarbazole conjugated polymer
X. Lu, H. Hlaing, D. S. Germack, J. Peet, W. H. Jo, D. Andrienko, K. Kremer, B. M. Ocko
Nature Communications,
3,
795,
2012,
[doi]
Comparative study of microscopic charge dynamics in crystalline acceptor-substituted oligothiophenes
M. Schrader, R. Fitzner, M. Hein, C. Elschner, B. Baumeier, M. Riede, K. Leo, P. Baeuerle, D. Andrienko
J. Am. Chem. Soc.,
134,
6052-6056,
2012,
[doi]
Challenges for in silico design of organic semiconductors
B. Baumeier, F. May, C. Lennartz, D. Andrienko
J. Mater. Chem.,
22,
10971-10976,
2012,
[doi]
Excited states of dicyanovinyl-substituted oligothiophenes from many-body Green's functions theory
B. Baumeier, D. Andrienko, Y. Ma, M. Rohlfing
J. Chem. Theory Comput.,
8,
997-1002,
2012,
[doi]
Can lattice models predict density of states of amorphous organic semiconductors?
F. May, B. Baumeier, C. Lennartz, D. Andrienko
Phys. Rev. Lett.,
109,
136401,
2012,
[doi]
Frenkel and charge-transfer excitations in donor-acceptor complexes from many-body Green's functions theory
B. Baumeier, D. Andrienko, M. Rohlfing
J. Chem. Theory Comput.,
8,
2790-2795,
2012,
[doi]
Charge transport in amorphous and smectic mesophases of dicyanovinyl-substituted oligothiophenes
M. Schrader, C. Koerner, C. Elschner, D. Andrienko
J. Mater. Chem.,
22,
22258-22264,
2012,
[doi]
Stochastic modeling of molecular charge transport networks
B. Baumeier, O. Stenzel, C. Poelking, D. Andrienko, V. Schmidt
Phys. Rev. B,
86,
184202,
2012,
Design rules for charge-transport efficient host materials for phosphorescent OLEDs
F. May, M. Al-Helwi, B. Baumeier, W. Kowalsky, E. Fuchs, C. Lennartz, D. Andrienko
J. Am. Chem. Soc.,
134,
13818-13822,
2012,
[doi]
Structure-based coarse-graining in liquid slabs
M. Jochum, D. Andrienko, K. Kremer, C. Peter
J. Chem. Phys.,
137,
064102,
2012,
[doi]
2011
Relationship between supramolecular assembly and charge-carrier mobility in discotics: The impact of side chains
F. May, V. Marcon, M. R. Hansen, F. Grozema, D. Andrienko
J. Mater. Chem.,
21,
9538-9545,
2011,
[doi]
Toward quantitative structure-property relationships for charge transfer rates of polycyclic aromatic hydrocarbons
M. Misra, D. Andrienko, B. Baumeier, J.-L. Faulon, O. A. von Lilienfeld
J. Chem. Theory Comput.,
7,
2549-2555,
2011,
[doi]
Microscopic simulations of charge transport in disordered organic semiconductors
V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier, D. Andrienko
J. Chem. Theory Comput.,
7,
3335-3345,
2011,
[doi]
2010
Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies
B. Baumeier, J. Kirkpatrick, D. Andrienko
Phys. Chem. Chem. Phys.,
12,
11103-11113,
2010,
[doi]
Charge transport in self-assembled semiconducting organic layers: role of dynamic and static disorder
T. Vehoff, Y. S. Chung, K. Johnston, A. Troisi, D. Y. Yoon, D. Andrienko
J. Phys. Chem. C,
114,
10592-10597,
2010,
[doi]
A multiscale description of charge transport in conjugated oligomers
V. Ruehle, James Kirkpatrick, Denis Andrienko
J. Chem. Phys.,
132,
134103,
2010,
[doi]
Charge transport in organic crystals: role of disorder and topological connectivity
T. Vehoff, B. Baumeier, A. Troisi, D. Andrienko
J. Am. Chem. Soc.,
132,
11702-11708,
2010,
[doi]
Colloidal particles in liquid crystal films and at interfaces
Mykola Tasinkevych, Denis Andrienko
Cond. Mat. Phys.,
13,
33603,
2010,
[doi]
Solvated poly-(phenylene vinylene) derivatives: conformational structure and aggregation behavior
A. Lukyanov, A. Malafeev, V. Ivanov, H.-L. Chen, K. Kremer, D. Andrienko
J. Mater. Chem.,
20,
10475-10485,
2010,
[doi]
Charge transport in columnar mesophases of carbazole macrocycles
T. Vehoff, B. Baumeier, D. Andrienko
J. Chem. Phys.,
133,
134901,
2010,
[doi]
Extracting nondispersive charge carrier mobilities of organic emiconductors from simulations of small systems
A. Lukyanov, D. Andrienko
Phys. Rev. B,
82,
193202,
2010,
[doi]
2009
Charge transport in semiconductors with multiscale conformational dynamics
A. Troisi, D. L. Cheung, D. Andrienko
Phys. Rev. Lett.,
102,
116602,
2009,
[doi]
Towards high charge-carrier mobilities by rational design of the shape and periphery of discotics
X. Feng, V. Marcon, W. Pisula, M. R. Hansen, J. Kirkpatrick, F. Grozema, D. Andrienko, K. Kremer, K. Mullen
Nature Materials,
8,
421-426,
2009,
[doi]
Understanding structure-mobility relations for perylene tetracarboxdiimide derivatives
V. Marcon, W. Pisula, J. Dahl, D. W. Breiby, J. Kirkpatrick, S. Patwardhan, F. Grozema, D. Andrienko
J. Am. Chem. Soc.,
131,
11426-11432,
2009,
[doi]
Amorphous films of tris-8(hydroxyquinoline aluminium): force-field
A. Lukyanov, C. Lennartz, D. Andrienko
Phys. Stat. Sol. A,
206,
2737-2742,
2009,
[doi]
Versatile Object-oriented Toolkit for Coarse-graining Applications
V. Ruehle, C. Junghans, A. Lukyanov, K. Kremer, D. Andrienko
J. Chem. Theory Comput.,
5,
3211-3223,
2009,
[doi]
Graphitic nanoribbons with dibenzo[el]pyrene repeat units: synthesis and self-assembly
Yulia Fogel, Linjie Zhi, Ali Rouhanipour, Denis Andrienko, Hans Joachim Raeder, Klaus Muellen
Macromolecules,
42,
6878-6884,
2009,
[doi]
2008
Supramolecular Structure of Perylene Tetracarboxdiimides
V. Marcon, J. Kirkpatrick, W. Pisula, D. Andrienko
Phys. Stat. Sol. B,
245,
820,
2008,
[doi]
Structure-Charge Mobility Relation for Hexabenzocoronene Derivatives
D. Andrienko, J. Kirkpatrick, V. Marcon, J. Nelson, K. Kremer
Phys. Stat. Sol. B,
245,
830,
2008,
[doi]
Coarse-grained modelling of polypyrrole morphologies
V. Ruehle, J. Kirkpatrick, K. Kremer, D. Andrienko
Phys. Stat. Sol. B,
245,
844,
2008,
[doi]
Columnar mesophases of hexabenzocoronene derivatives: II. Charge carrier mobility
J. Kirkpatrick, V. Marcon, K. Kremer, J. Nelson, D. Andrienko
J. Chem. Phys.,
129,
094506,
2008,
[doi]
Atomistic force field and electronic properties of carbazole: from monomer to macrocycle
T. Vehoff, J. Kirkpatrick, K. Kremer, D. Andrienko
Phys. Stat. Sol. B,
245,
839,
2008,
[doi]
Columnar mesophases of hexabenzocoronene derivatives. I. Phase transitions
V. Marcon, T. Vehoff, J. Kirkpatrick, Ch. Jeong, Do. Y. Yoon, K. Kremer, D. Andrienko
J. Chem. Phys.,
129,
094505,
2008,
[doi]
Charge transport parameters of HBC at different temperatures
J. Kirkpatrick, V. Marcon, J. Nelson, D. Andrienko
Phys. Stat. Sol. B,
245,
835,
2008,
[doi]
2007
Simulations. In book Macromolecular Engineering: Structure-properties correlations using modern characterization techniques
D. Andrienko, K. Kremer
submitted,
2007,
[doi]
Charge mobility of discotic mesophases: a multiscale quantum/classical study
J. Kirkpatrick, V. Marcon, J. Nelson, K. Kremer, D. Andrienko
Phys. Rev. Lett.,
98,
227402,
2007,
[doi]
Tuning electronic eigenvalues of benzene via doping
V. Marcon, O. A. von Lilienfeld, D. Andrienko
J. Chem. Phys.,
127,
064305,
2007,
[doi]
Yulia Fogel, Marcel Kastler, Zhaohui Wang, Denis Andrienko, Graham J. Bodwell, Klaus Muellen
J. Am. Chem. Soc.,
129,
11743-11749,
2007,
[doi]
2006
Coarse-grained interaction potentials for polyaromatic hydrocarbons
O. Anatole von Lilienfeld, Denis Andrienko
J. Chem. Phys.,
124,
054307,
2006,
[doi]
Colloidal particles at a nematic-isotropic interface: effects of confinement
J. L. West, K. Zhang, A. Glushchenko, D. Andrienko, M. Tasinkevych, Y. Reznikov
Eur. Phys. J. E,
20,
237-242,
2006,
[doi]
Effective triplet interactions in nematic colloids
M. Tasinkevych, D. Andrienko
Eur. Phys. J. E,
21,
277-282,
2006,
[doi]
Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives
D. Andrienko, V. Marcon, K. Kremer
J. Chem. Phys.,
125,
124902,
2006,
[doi]
2005
Effective pair interactions between colloidal particles at a nematic-isotropic interface
D. Andrienko, M. Tasinkevych, S. Dietrich
Europhys. Lett.,
70,
95-101,
2005,
[doi]
Dynamic surface decoupling in a sheared polymer melt
X. Zhou, D. Andrienko, L. Delle Site, K. Kremer
Europhys. Lett.,
70,
264-270,
2005,
[doi]
Adhesion of polycarbonate blends on a nickel surface
D. Andrienko, S. Leon, L. Delle Site, K. Kremer
Macromolecules,
38,
5810 -5816,
2005,
[doi]
Flow boundary conditions for chain-end adsorbing polymer blends
X. Zhou, D. Andrienko, L. Delle Site, K. Kremer
J. Chem. Phys.,
123,
104904,
2005,
[doi]
2004
Interaction of colloids with a nematic-isotropic interface
D. Andrienko, M. Tasinkevych, P. Patricio, M. M. Telo da Gama
Phys. Rev. E,
69,
021706,
2004,
[doi]
Twist-bend instability for toroidal DNA condensates
I. M. Kulic, D. Andrienko, M. Deserno
Europhys. Lett.,
67,
418-424,
2004,
[doi]
Colloidal disks in nematic liquid crystals
N. M. Silvestre, P. Patricio, M. Tasinkevych, D. Andrienko, M. M. Telo da Gama
J. Phys.: Condens. Matter,
16,
S1921-S1930,
2004,
[doi]
Capillary bridging and long-range attractive forces in a mean-field approach
D. Andrienko, P. Patricio, O. I. Vinogradova
J. Chem. Phys.,
121,
4414,
2004,
[doi]
Young's Modulus of Polyelectrolyte Multilayers from Microcapsule Swelling
O. I. Vinogradova, D. Andrienko, V. V. Lulevich, S. Nordschild, G. B. Sukhorukov
Macromolecules,
37,
1113-1117,
2004,
[doi]
Drag of micro-particles by an extended nematic-isotropic interface
J. L. West, Ke Zhang, A. V. Glushchenko, Y. Reznikov, D. Andrienko
Mol. Cryst. Liq. Cryst.,
422,
73-82,
2004,
[doi]
Mechanism of formation of three dimensional structures of particles in a liquid crystal
J. L. West, Ke Zhang, G. Liao, A. V. Glushchenko, Y. Reznikov, D. Andrienko, M. P. Allen
Mol. Cryst. Liq. Cryst.,
410,
83-93,
2004,
[doi]
Elasticity of polyelectrolyte multilayer microcapsules
V. V. Lulevich, D. Andrienko, O. I. Vinogradova
J. Chem. Phys.,
120,
3822-3826,
2004,
[doi]
2003
Forces between elongated particles in a nematic colloid
D. Andrienko, M. Tasinkevych, P. Patricio, M. P. Allen, M. M. Telo da Gama
Phys. Rev. E,
68,
051702,
2003,
[doi]
Boundary slip as a result of a prewetting transition
D. Andrienko, B. Duenweg, O. I. Vinogradova
J. Chem. Phys.,
119,
13106,
2003,
[doi]
2002
Theory and simulation of the nematic zenithal anchoring coefficient
Denis Andrienko, Michael P. Allen
Phys. Rev. E,
65,
021704,
2002,
[doi]
Defect structures and torque on an elongated colloidal particle immersed in a liquid crystal host
D. Andrienko, M. P. Allen, G. Skacej, S. Zumer
Phys. Rev. E,
65,
041702,
2002,
[doi]
Drag on particles in a nematic suspension by a moving nematic-isotropic interface
J. L. West, A. Glushchenko, G. Liao, Y. Reznikov, D. Andrienko, M. P. Allen
Phys. Rev. E,
66,
012702,
2002,
[doi]
Entropic torque
R. Roth, R. van Roij, D. Andrienko, K. R. Mecke, S. Dietrich
Phys. Rev. Lett.,
83,
088301,
2002,
[doi]
2001
Nematic director slippage: Role of the angular momentum of light
D. Andrienko, V. Reshetnyak, Yu. Reznikov, T. J. Sluckin
Phys. Rev. E,
63,
11701-11708,
2001,
[doi]
Computer simulation of topological defects around a colloidal particle or droplet dispersed in a nematic host
Denis Andrienko, Guido Germano, Michael P. Allen
Phys. Rev. E,
63,
041701,
2001,
[doi]
2000
Control of the anchoring energy of rubbed polyimide layers by irradiation with depolarized UV-light
D. Andrienko, Yu. Kurioz, M. Nishikawa, Yu. Reznikov, J. L. West
Jap. J. Appl. Phys,
39,
1217-1220,
2000,
[doi]
Electrically controlled director slippage over photosensitive aligning surface; in-plane sliding mode
D. Andrienko, F. Barbet, D. Bormann, Yu. Kurioz, S.-B. Kwon, Yu. Reznikov, M. Warenghem
Liq. Cryst.,
27,
365-370,
2000,
[doi]
Molecular simulation and theory of a liquid crystalline disclination core
Denis Andrienko, Michael P. Allen
Phys. Rev. E,
61,
504-510,
2000,
[doi]
Liquid crystal director fluctuations and surface anchoring by molecular simulation
Denis Andrienko, Guido Germano, Michael P. Allen
Phys. Rev. E,
62,
6688-6693,
2000,
[doi]
1999
Photoalignment of pentyl-cyanobiphenyl on the fluorinated polyvinil-cinnamates induced by UV and visible light
Mol. Cryst. Liq. Cryst.,
329,
831-838,
1999,
Mechanically and light induced anchoring of liquid crystal on polyimide film
Mol. Cryst. Liq. Cryst.,
329,
623-630,
1999,
Field-induced orientational transitions in a nematic with chiral dopand
D. Andrienko, Yu. Reznikov, V. Reshetnyak
Mol. Cryst. Liq. Cryst.,
331,
2333-2342,
1999,
Photoalignment effect induced by angular momentum of light in dye-doped liquid crystals
D. Andrienko, D. Fedorenko, Yu. Reznikov, S. Slussarenko, O. Francescangeli, F. Simoni
Mol. Cryst. Liq. Cryst.,
329,
613-622,
1999,
Light-induced surface sliding of the nematic director in liquid crystals
O. Francescangeli, F. Simoni, S. Slussarenko, D. Andrienko, V. Reshetnyak, Yu. Reznikov
Phys. Rev. Lett.,
82,
1855-1858,
1999,
[doi]
Light-induced alignment and reorientation effects in liquid crystals doped with azo-dyes
Ukr. J. Phys.,
44,
149-157,
1999,
1998
Laser beam modulation freezing on a liquid crystal surface
D. Andrienko, O. Francesangeli, E. Ouskova, F. Simoni, S. Slussarenko, Yu. Reznikov
Mol. Cryst. Liq. Cryst.,
321,
69-76,
1998,
Light-induced anchoring transitions and bistable nematic alignment on a polysiloxane aligning surface
D. Andrienko, A. Dyadyusha, Yu. Kurioz, V. Reshetnyak, Yu. Reznikov
Mol. Cryst. Liq. Cryst.,
321,
299-307,
1998,
D. Andrienko, A. Iljin, A. Dyadyusha, Yu. Kurioz, Yu. Reznikov
Mol. Cryst. Liq. Cryst.,
321,
271-281,
1998,
Diffraction gratings in a nematic cell due to spatial variation of surface order parameter
D. Andrienko, I. Pinkevich, Yu. Reznikov
Mol. Cryst. Liq. Cryst.,
321,
283-289,
1998,
Light-induced Frederiks transition in the nematic liquid crystal with chiral dopant
D. Andrienko, I. Pinkevich, V. Reshetnyak
Liq. Cryst.,
25,
95-100,
1998,
[doi]
Director gratings and light diffraction in a nematic cell with spatially modulated easy axis
D. Andrienko, I. Pinkevich
Mol. Cryst. Liq. Cryst.,
309,
143-156,
1998,
Orientational transitions in a nematic cell with reverse director distributions
D. Andrienko, Yu. Reznikov
Mol. Cryst. Liq. Cryst.,
321,
291-297,
1998,
Tilted photoalighnment of a nematic liquid crystal induced by a magnetic field
D. Andrienko, Yu. Kurioz, Yu. Reznikov, Ch. Rozenblatt, R. G. Petschek, O. D. Lavrentovich, D. Subacius
J. App. Phys.,
83,
50-55,
1998,
Light-induced spatially modulated orientation of liquid crystal with photosensitive dopant
D. Andrienko, Yu. Reznikov, O. Uskova, D. Fedorenko
Ukr. J. Phys.,
43,
459-462,
1998,
1997
Surface driven transition in a nematic liquid crystal cell
D. Andrienko, Yu. Kurioz, Yu. Reznikov, V. Reshetnyak
JETP,
85,
2045-2055,
1997,
Dynamic holographic gratings in nematic cell with periodic boundary conditions
D. Andrienko, I. Pinkevich, M. Lednei
Mol. Cryst. Liq. Cryst.,
304,
95-100,
1997,