%0 Conference Paper %F Oral %T Numerical design of new porous open carbon frameworks (OCF) for hydrogen storage %+ Matériaux divisés, interfaces, réactivité, électrochimie (MADIREL) %+ Laboratoire Charles Coulomb (L2C) %+ Department of Physics and Astronomy [Columbia] (Mizzou Physics) %A Kuchta, B %A Firlej, Lucyna %A Pfeifer, P %< avec comité de lecture %Z L2C:12-382 %B Modeling and Design of Molecular Materials 2012 %C France %8 2012-09-10 %D 2012 %Z Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph] %Z Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]Conference papers %X n recent years, a great emphasis has been placed on replacing fossil fu- els with clean, renewable energy for use in vehicles. One potential solution is the use of hydrogen gas as a fuel source to power a fuel cell. For ve- hicular use, the US Department of En- ergy (DOE) has identified major chal- lenges to implementing a hydrogen- powered which include design hydro- gen storage systems capable of deliv- ering a driving range of hundreds of kilometers. Mechanism of hydrogen adsorption in carbon porous structures is a fundamental problem for these applications. It can be shown that it is not possible to increase hydrogen storage capacity only by modification of slit geometry without simultaneous increase of the specific surface. So, we have introduced structures with higher surfaces and analyzed their adsorption properties. These new models of hypothetical structures represent ordered carbon structure with low density architecture required for effective application of porous carbons for mobile storage. We call them Open Carbon Frameworks (OCF). Theoretically they may have the specific surfaces exceeding 6000 m 2 /g %G English %L hal-00820202 %U https://hal.science/hal-00820202 %~ CNRS %~ UNIV-AMU %~ L2C %~ INC-CNRS %~ MADIREL %~ MIPS %~ UNIV-MONTPELLIER %~ UM-2015-2021 %~ TEST2-HALCNRS