Releasing H2 molecules with a partial pressure difference without the use of temperature

Details Releasing H2 molecules with a partial pressure difference without the use of temperature Releasing H2 molecules with a partial pressure difference without the use of temperature

2010-08-13

arxiv.org/abs/1008.2330v1

Physics

Condensed Matter

Materials Science

To appear in Physical Review B

Scientific paper

Using the pseudopotential density functional method as well as equilibrium thermodynamic functions, we explore the process of releasing H2 molecules adsorbed on a transition metal atom caused by the hydrogen-ammonia partial pressure difference. The H2 molecules bind to a transition metal atom at H2 pressure-NH3 pressure-temperature 50 atm-10-9 atm-25 {\deg}C, and they are released at 3 atm-10-6 atm-25 {\deg}C. This process involves the same mechanism responsible for carbon monoxide poisoning of hemoglobin with the O2-CO partial pressure difference. We show that our findings can be applicable to an approach to induce hydrogen desorption on nanostructured hydrogen storage materials without the need for increasing temperature.

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