Literature DB >> 21701767

On the theoretical understanding of the unexpected O2 activation by nanoporous gold.

José L C Fajín1, M Natália D S Cordeiro, José R B Gomes.   

Abstract

Several pure and Ag-doped gold surfaces were used as models of nanoporous gold catalysts where O(2) was suggested to be activated. Density functional theory (DFT) calculations show that residual Ag on Au is able to promote adsorption and to dissociate thermodynamically favorable O(2) with high rate constants.

Entities:  

Year:  2011        PMID: 21701767     DOI: 10.1039/c1cc12166a

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  2 in total

1.  Effect of nanoscale flows on the surface structure of nanoporous catalysts.

Authors:  Matthew M Montemore; Andrea Montessori; Sauro Succi; Cédric Barroo; Giacomo Falcucci; David C Bell; Efthimios Kaxiras
Journal:  J Chem Phys       Date:  2017-06-07       Impact factor: 3.488

2.  N2O Hydrogenation on Silver Doped Gold Catalysts, a DFT Study.

Authors:  José L C Fajín; Maria Natália D S Cordeiro
Journal:  Nanomaterials (Basel)       Date:  2022-01-25       Impact factor: 5.076

  2 in total

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