126 citations · 353 across the 7 of their papers we have counts for
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cond-mat.mtrl-sci2015
Evidence for the Active Phase of Heterogeneous Catalysts through In Situ Reaction Product Imaging and Multiscale Modeling
S. Matera, S. Blomberg, M. J. Hoffmann +4
We use multi-scale modeling to analyze laser-induced fluorescence (LIF) measurements of the CO oxidation reaction over Pd(100) at near-ambient reaction conditions. Integrating dens…
cond-mat.mtrl-sci2014★ 125 cited
kmos: A lattice kinetic Monte Carlo framework
M. J. Hoffmann, S. Matera, K. Reuter
Kinetic Monte Carlo (kMC) simulations have emerged as a key tool for microkinetic modeling in heterogeneous catalysis and other materials applications. Systems, where site-specific…
cond-mat.mtrl-sci2013★ 33 cited
CO oxidation on Pd(100) vs. PdO(sqrt5xsqrt5)R27^o: First-Principles Kinetic Phase Diagrams and Bistability Conditions
Max J. Hoffmann, Karsten Reuter
We present first-principles kinetic Monte Carlo (1p-kMC) simulations addressing the CO oxidation reaction at Pd(100) for gas-phase conditions ranging from ultra-high vacuum (UHV) t…