@article{396,
  keywords = {non-Palaiseau, paper},
  author = {Giacomo Miceli and Matteo Guzzo and Clotilde Cucinotta and Marco Bernasconi},
  title = {First Principles Study of Hydrogen Desorption from the NaAlH4 Surface Doped by Ti Clusters},
  abstract = {On the basis of density functional calculations, we show that a Ti-4 cluster adsorbed at the (101) surface of NaAlH4 is able to catalyze both the release of H-2 and the formation of A1H(5)(2-) groups which have been previously proposed to be the mobile species leading to the formation of the Na3AlH6 product during the dehydrogenation of Na alanate.},
  year = {2012},
  journal = {JOURNAL OF PHYSICAL CHEMISTRY C},
  volume = {116},
  number = {6},
  pages = {4311-4315},
  month = {FEB 16},
  publisher = {AMER CHEMICAL SOC},
  address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA},
  issn = {1932-7447},
  doi = {10.1021/jp2067588},
}