Since May 2006 I am a postdoc in the Theory group at the Max Planck Institute for Polymer Research.
I am working on hexabenzocoronenes, trying to investigate the two main factors influencing the conductive properties of these systems: the relative position of the molecules in the liquid crystal mesophase and the nature of the conjugated core. The first aspect has been and will be investigated by atomistic and coarse-grained simulations. The chemical composition and the possibility of doping of the conjugated core will be investigated by a rational compound design approach in collaboration with Dr. O.A. von Lilienfeld.
In 2006 I finished my PhD on simulations of conjugated oligomers at Politecnico di Milano (group of Prof. G. Allegra and Prof. G. Raos). During my PhD I received a scholarship from the International Max Planck Research School and I spent six months between 2004 and 2005 at the Max Planck Institute for Polymer Research working on conjugated oligomers (oligofluorenes) with Prof. G. Wegner and Dr. N. van der Vegt.
Since May 2009 Valentina is working in the Center for Smart Interfaces, TU Darmstadt.
Published in the group
2011
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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]
[abstract]
2009
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]
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]
2008
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]
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]
Charge transport parameters of HBC at different temperatures
J. Kirkpatrick, V. Marcon, J. Nelson, D. Andrienko
Phys. Stat. Sol. B,
245,
835,
2008,
[doi]
Supramolecular Structure of Perylene Tetracarboxdiimides
V. Marcon, J. Kirkpatrick, W. Pisula, D. Andrienko
Phys. Stat. Sol. B,
245,
820,
2008,
[doi]
[abstract]
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]
[abstract]
2007
Tuning electronic eigenvalues of benzene via doping
V. Marcon, O. A. von Lilienfeld, D. Andrienko
J. Chem. Phys.,
127,
064305,
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]
[abstract]
2006
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]
[abstract]