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Acknowledgement
Contents
The most exciting phrase to hear in science,
the one that heralds new discoveries,
is not 'Eureka!' (I found it!) but
'That's funny ...'
Isaac Asimov (1920 - 1992)
Acknowledgement
Abbreviations
Contents
Introduction
Dihydrogen physisorption
Methodology of calculations
Fugacity
Approximations and inaccuracies of the model
Interaction potential
The ideal gas approximation
Neglect of the coupling of the guest motion and host vibrations
Neglect of the internal degrees of freedom of the guest
Model of the host structure
Grid density
Interaction potential
Computational details and models
Extrapolation to graphene surface
Many H
-PAH interactions
H
C
Potential
Empiric entropy estimation
Carbon host systems
Physisorption on graphene
Mono- and double layer models
Real gas physisorption
Graphene spacers
Layer-layer separation
CIG storage capacities
Hydrogen diffusion
SWCNTs and Carbon foams
SWCNT and bundles
Isolated SWCNT
Bundles of nanotubes
Carbon foams
Graphite and fullerene modifications
Dislocations in graphite
C
fullerites
Summary
Bibliography
Versicherung § 5 Abs. 1 Nr. 5
About this document ...
Lyuben Zhechkov 2007-09-04