Speciality:
05.13.01 (System analysis, the control and processing of information (separated by fields))
E-mail: Keywords: fullerenes,
carbon nanotubes,
carbon foam,
donor-acceptor dyads porphyrin-fullerene,
porphyrins.
Subject:
quantum-chemical simulation of biological and carbon nanostructures; investigation of physical and chemical properties of the new materials used in the different fields: nanoelectronics; effective storage of molecular hydrogen for its further use as automobile fuel; creation of new kinds of solar cells systems; nonlinear optics.
Main publications:
Tatiana A. Romanova, Pavel O. Krasnov, “Ab initio and post-ab initio quantum chemical study of the heme spin states in electron transfer reactions”, Chemical Physics Letters, 420:4-6 (2006), 281–-285
Feng Ding, Yu Lin, Pavel O. Krasnov, Boris I. Yakobson, “Nanotube-derived carbon foam for hydrogen sorption”, The Journal of Chemical Physics, 127:16 (2007), 164703
Pavel O. Krasnov, Feng Ding, Abhishek K. Singh, Boris I. Yakobson, “Clustering of Sc on SWNT and Reduction of Hydrogen Uptake: Ab-Initio All-Electron Calculations”, The Journal of Physical Chemistry C (Letters), 111:49 (2007), 17977–17980
Pavel O. Krasnov, Yuliya M. Milyutina, Natalya S. Eliseeva, “The Nature of Absorption Electronic Spectrums of Porphyrin-Fullerene Dyads with a Different Type of Bonding”, Internet Electronic Journal of Molecular Design, 9:2 (2010), 20–32