Hydrogen catalysis and scavenging action of Pd-POSS nanoparticles

Maiti, A; Gee, R H; Maxwell, R; Saab, A

doi:10.1016/j.cplett.2007.04.045

Hydrogen catalysis and scavenging action of Pd-POSS nanoparticles

Journal Article · Wed Jan 31 23:00:00 EST 2007 · Chemical Physics Letters

DOI:https://doi.org/10.1016/j.cplett.2007.04.045· OSTI ID:940488

Maiti, A; Gee, R H; Maxwell, R; Saab, A

Prompted by the need for a self-supported, chemically stable, and functionally flexible catalytic nanoparticle system, we explore a system involving Pd clusters coated with a monolayer of polyhedral oligomeric silsesquioxane (POSS) cages. With an initial theoretical focus on hydrogen catalysis and sequestration in the Pd-POSS system, we report Density Functional Theory (DFT) results on POSS binding energies to the Pd(110) surface, hydrogen storing ability of POSS, and possible pathways of hydrogen radicals from the catalyst surface to unsaturated bonds away from the surface.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 940488

Report Number(s):: UCRL-JRNL-227837

Journal Information:: Chemical Physics Letters, Journal Name: Chemical Physics Letters Vol. 440; ISSN CHPLBC; ISSN 0009-2614

Country of Publication:: United States

Language:: English

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