EPJ Web of Conferences
Volume 33, 20122nd European Energy Conference
|Number of page(s)||8|
|Section||Sciences for Energy|
|Published online||02 October 2012|
Materials for organic photovoltaics: insights from detailed structural models and molecular simulations
1 Dipartimento di Chimica, Materiali e Ing. Chimica .“G. Natta.”, Politecnico di Milano, via L. Mancinelli 7, 20131, Milano, Italy
2 Research Center for Non-Conventional Energies, ENI Istituto Donegani, via G. Fauser 4, 28100, Novara, Italy
a e-mail: firstname.lastname@example.org
This paper contains a brief discussion of the role of detailed structural and computational studies, within the general field of organic photovoltaics. We review some of our recent work on poly(3-butylthiophene) (P3BT) and on [6,6]phenyl-C61-butyric acid methyl ester (PCBM). The first is a prototypical hole-transporting material, whose crystal forms I.’ and II were solved by us through the combined use of powder Xray diffraction, electron diffraction and molecular modelling. PCBM is a widely used fullerene derivative with electron-transporting properties. It has a rich polymorphism, which to date remains largely unexplored. Our molecular dynamics simulations have revealed interesting features of its solid-state organization, including that in the amorphous phase.
© Owned by the authors, published by EDP Sciences, 2012
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.