252 citations · 295 across the 3 of their papers we have counts for
Showing 2020Show all
2 papers · 1 filter
cond-mat.mtrl-sci2020
Electrostatic design of polar metal-organic framework thin films
Giulia Nascimbeni, Christof Wöll, Egbert Zojer
In recent years, optical and electronic properties of metal-organic frameworks (MOFs) have increasingly shifted into the focus of interest of the scientific community. Here, we dis…
cond-mat.mtrl-sci2020★ 43 cited
Vibrational Frequencies of Cerium Oxide-Bound CO: A Challenge for Conventional DFT Methods
Pablo G. Lustemberg, Philipp Pleßow, Yuemin Wang +5
In ceria-based catalysis, the shape of the catalyst particle, which determines the exposed crystal facets, profoundly affects its reactivity. The vibrational frequency of adsorbed…