Adsorption of hydrogen on novel Pt-doped BN nanotube: A density functional theory study
Tài liệu tham khảo
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The van’t Hoff equation, describing the equilibrium pressure (P) of gas adsorption at temperature (T), is given as lnp=−ΔH/kBT+ΔS/R, where ΔH is the heat of adsorption, kB is Boltzmann constant, ΔS is the change in entropy, and R is the gas constant. The equation is obtained by equating the free energies of adsorbed hydrogen and hydrogen in gas phase.
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