Tongyu Wang

most citedStructure Sensitivity in Oxide Catalysis: First-Principles Kinetic Monte Carlo Simulations for CO Oxidation at RuO

_{2}

(111)

10 citations · 10 across the 1 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2015★ 10 cited

Structure Sensitivity in Oxide Catalysis: First-Principles Kinetic Monte Carlo Simulations for CO Oxidation at RuO $_{2}$ (111)

Tongyu Wang, Karsten Reuter

We present a density-functional theory based kinetic Monte Carlo study of CO oxidation at the (111) facet of RuO $_{2}$ . We compare the detailed insight into elementary processes, ste…

cond-mat.mtrl-sci2013

Exploring Morphology-Activity Relationships: Ab Initio Wulff Construction for RuO2 Nanoparticles under Oxidizing Conditions

Tongyu Wang, Jelena Jelic, Dirk Rosenthal +1

We present a density-functional theory based Wulff construction of the equilibrium shape of RuO2 particles in an oxygen environment. The obtained intricate variations of the crysta…

Structure Sensitivity in Oxide Catalysis: First-Principles Kinetic Monte Carlo Simulations for CO Oxidation at RuO2​(111)

Exploring Morphology-Activity Relationships: Ab Initio Wulff Construction for RuO2 Nanoparticles under Oxidizing Conditions

Structure Sensitivity in Oxide Catalysis: First-Principles Kinetic Monte Carlo Simulations for CO Oxidation at RuO $_{2}$ (111)