Extreme electron polaron spatial delocalization in π-conjugated materials
نویسندگان
چکیده
منابع مشابه
How do electron localization functions describe π-electron delocalization?
Scalar fields provide an intuitive picture of chemical bonding. In particular, the electron localization function (ELF) has proven to be highly valuable in interpreting a broad range of bonding patterns. The discrimination between enhanced or reduced electron (de)localization within cyclic π-conjugated systems remains, however, challenging for ELF. In order to clearly distinguish between the lo...
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We review the recent theoretical treatment of fullerenes as π-conjugated systems. Polaronic properties due to the Jahn-Teller type effects are mainly discussed. (1) A Su-Schrieffer-Heeger type electron-phonon model is applied to fullerenes: C60 and C70, and is solved with the adiabatic approximation to phonons. When the system (C60 or C70) is doped with one or two electrons (or holes), the addi...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2015
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.1512318112