471 citations · 3.4k across the 39 of their papers we have counts for
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Diffusion of Small Molecules in Metal Organic Framework Materials
Pieremanuele Canepa, Nour Nijem, Yves J. Chabal +1
Ab initio simulations are combined with in situ infrared spectroscopy to unveil the molecular transport of H, CO, and HO in the metal organic framework MOF-74-Mg. Our s…
Tuning the Gate Opening Pressure of Metal Organic Frameworks (MOFs) for the Selective Separation of Hydro-carbons
Nour Nijem, Haohan Wu, Pieremanuele Canepa +5
Separation of hydrocarbons is one of the most energy demanding processes. The need to develop materials for the selective adsorption of hydrocarbons, under reasonable conditions, i…
Stability and Hydrolyzation of Metal Organic Frameworks with Paddle-Wheel SBUs upon Hydration
Kui Tan, Nour Nijem, Pieremanuele Canepa +4
Instability of most prototypical metal organic frameworks (MOFs) in the presence of moisture is always a limita- tion for industrial scale development. In this work, we examine the…
Elastic and vibrational properties of alpha and beta-PbO
Pieremanuele Canepa, Piero Ugliengo, Maria Alfredsson
The structure, electronic and dynamic properties of the two layered alpha (litharge) and beta (massicot) phases of PbO have been studied by density functional methods. The role of…