471 citations · 2.2k across the 15 of their papers we have counts for
4 papers · 2 filters
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…
Analyzing the frequency shift of physiadsorbed CO2 in metal organic framework materials
Yanpeng Yao, Nour Nijem, Jing Li +3
Combining first-principles density functional theory simulations with IR and Raman experiments, we determine the frequency shift of vibrational modes of CO2 when physiadsorbed in t…