126 citations · 538 across the 17 of their papers we have counts for
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physics.chem-ph2023★ 4 cited
A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules
King Chun Lai, Sebastian Matera, Christoph Scheurer +1
The nature of an atom in a bonded structure -- such as in molecules, in nanoparticles or solids, at surfaces or interfaces -- depends on its local atomic environment. In atomic-sca…
physics.chem-ph2013★ 126 cited
In situ X-ray photoelectron spectroscopy of model catalysts: At the edge of the gap
S. Blomberg, M. J. Hoffmann, J. Gustafson +8
We present a High-Pressure X-ray Photoelectron Spectroscopy (HP-XPS) and first-principles kinetic Monte Carlo study addressing the nature of the active surface in CO oxidation over…