NIST Center for Neutron Research Materials Science and Engineering Laboratory NIST Center for Neutron Research National Institute of Standards and Technology
Welcome to Dr. Yildirim's Hydrogen Storage Website

H2 Storage Projects

Transition Metal-Decorated Nanotubes and C 60; high-capacity hydrogen storage medium

Introduction | Dissociative Absorption of H2 | Molecular Absorption | 4th top-H2 | The lowest energy isomer | Bonding Mechanism | Does Pt/Pd also work? | MD simulations | High concentration metal-coverages | Ti-decorated C60 | Conclusions

What is the Mechanism of this interesting bonding?

nanotube

The mechanism is very similar to Dewar, Chatt, and Duncanson model, where the interaction is viewed as a donation of charge from the highest occupied orbital of the ligand to the metal empty states and a subsequent back donation from filled d-orbitals into the lowest unoccupied orbital of the ligand.

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Address :
Taner Yildirim
Building 235 - E112
NIST Center for Neutron Research
National Institute of Standards and Technology
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Today's date: Wednesday 15th 2012f February 2012
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