ar X iv : 0 80 4 . 07 84 v 2 [ co nd - m at . m tr l - sc i ] 1 0 Ju n 20 08 Modeling of graphite oxide

نویسنده

  • M. I. Katsnelson
چکیده

Based on density functional calculations, optimized structures of graphite oxide are found for various coverage by oxygen and hydroxyl groups, as well as their ratio corresponding to the minimum of total energy. The model proposed describes well known experimental results. In particular, it explains why it is so difficult to reduce the graphite oxide up to pure graphene. Evolution of the electronic structure of graphite oxide with the coverage change is investigated.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

ar X iv : 0 80 1 . 36 64 v 1 [ co nd - m at . m tr l - sc i ] 2 3 Ja n 20 08 Universality behind Basquin ’ s law of fatigue

F. Kun, H. A. Carmona, J. S. Andrade Jr., and H. J. Herrmann Department of Theoretical Physics, University of Debrecen, P. O. Box:5, H-4010 Debrecen, Hungary 2 Computational Physics, IfB, HIF, E12, ETH, Hönggerberg, 8093 Zürich, Switzerland 3 Centro de Ciências e Tecnologia, Universidade Estadual do Ceará, 60740-903 Fortaleza, Ceará, Brazil 4 Departamento de F́ısica, Universidade Federal do Cear...

متن کامل

ar X iv : 1 11 1 . 49 70 v 1 [ co nd - m at . m tr l - sc i ] 2 1 N ov 2 01 1 Ink - Jet Printed Graphene Electronics

We demonstrate ink-jet printing as a viable method for large area fabrication of graphene devices. We produce a graphene-based ink by liquid phase exfoliation of graphite in N-Methylpyrrolidone. We use it to print thin-film transistors, with mobilities up to∼95cmVs, as well as transparent and conductive patterns, with∼80% transmittance and∼30kΩ/ sheet resistance. This paves the way to all-print...

متن کامل

ar X iv : 0 90 6 . 31 35 v 1 [ co nd - m at . s tr - e l ] 1 7 Ju n 20 09 The Kondo Effect in Ferromagnetic Atomic Contacts

M. Reyes Calvo, Joaqúın Fernández-Rossier, Juan José Palacios, David Jacob, Douglas Natelson, and Carlos Untiedt ∗ Departamento de Fisica Aplicada, Facultad de Ciencias, Universidad de Alicante, San Vicente del Raspeig, E-03790 Alicante, Spain Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA. Department of Physics and Astronomy, Rice University, Houston...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2008