Ιατρικά Άρθρα Αλέξανδρος Γ. Σφακιανάκης: Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K [Chemistry]

Τρίτη 21 Φεβρουαρίου 2017

Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K [Chemistry]

A critical step toward the rational design of new catalysts that achieve selective and efficient reduction of CO2 to specific hydrocarbons and oxygenates is to determine the detailed reaction mechanism including kinetics and product selectivity as a function of pH and applied potential for known systems. To accomplish this, we...

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Ιατρικά Άρθρα Αλέξανδρος Γ. Σφακιανάκης

Τρίτη 21 Φεβρουαρίου 2017

Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K [Chemistry]

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