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- W2022602223 abstract "Using the pseudopotential density-functional method as well as equilibrium thermodynamic functions, we explore the process of releasing ${text{H}}_{2}$ molecules adsorbed on a transition-metal atom caused by the hydrogen-ammonia partial pressure difference. The ${text{H}}_{2}$ molecules bind to a transition-metal atom at ${text{H}}_{2}$ pressure-${text{NH}}_{3}$ pressure-temperature $50text{ }text{atm-}{10}^{ensuremath{-}9}text{ }text{atm-}25text{ }ifmmode^circelsetextdegreefi{}text{C}$, and they are released at $3text{ }text{atm-}{10}^{ensuremath{-}6}text{ }text{atm-}25text{ }ifmmode^circelsetextdegreefi{}text{C}$. This process involves the same mechanism responsible for carbon monoxide poisoning of hemoglobin with the ${text{O}}_{2}text{-CO}$ 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." @default.
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- W2022602223 date "2010-08-24" @default.
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- W2022602223 title "ReleasingH2molecules with a partial pressure difference without the use of temperature" @default.
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