Peculiarities of Molecular Hydrogen Behavior in Palladium Nanopores of Different Morphology
AV Korchuganov and KP Zolnikov and DS Kryzhevich and SG Psakhie, ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES 2016, 1783, 020101 (2016).
The features of molecular hydrogen adsorption in slit, cylindrical and spherical palladium nanopores were studied. Calculations were carried out in the framework of molecular dynamics method. Reduction of the nanopore size leads to decrease of the gas density in the adsorbed layer. It has been found that several adsorbed layers can be formed in palladium nanopores. This behavior is caused by sufficiently strong and long-range nature of the interaction between hydrogen molecules and the palladium nanopore wall. The molecule density in the adsorbed layers decreases with decreasing pore size. A comparison of the distribution of the gas density in the cross section of palladium and carbon nanopores of different morphology was made.
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