Vibrational properties of TiHn complexes adsorbed on carbon nanostructures

@inproceedings{iguez2007VibrationalPO,
  title={Vibrational properties of TiHn complexes adsorbed on carbon nanostructures},
  author={Jorge {\'I}{\~n}iguez and Wei Long Zhou and Taner Yildirim},
  year={2007}
}
Abstract According to recent theoretical studies, carbon nanostructures decorated with light transition metals could provide a route towards room temperature reversible hydrogen storage, a major roadblock for fuel-cell powered vehicles. Vibrational spectroscopies are the ideal experimental techniques to confirm the recent predictions of a metal–hydrogen bond of about 0.5 eV per H 2 molecule, which is expected to enable H 2 desorption at moderate temperatures. Here, we report first-principles… CONTINUE READING

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