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

Abstract

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.