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Updated: May 12, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

Justificación de la mayor reactividad de los sitios interfaciales en la descomposición del metanol en Au13/TiO2

Sampyo Hong1, Talat S Rahman

  • 1Department of Physics, University of Central Florida, Orlando, Florida 32816-2385, USA.

Journal of the American Chemical Society
|April 27, 2013
PubMed
Resumen

Los sitios de interfaz en las nanopartículas de oro soportadas por TiO2 exhiben una mayor actividad de descomposición del metanol. Esto se debe a la transferencia de carga que crea las interacciones Coulombic que activan la molécula de methoxy para la reacción.

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