137 citations
4 papers
Chemistry in confined spaces: Reactivity of the Zn-MOF-74 channels
S. Zuluaga, E. M. A. Fuentes-Fernandez, K. Tan +4
Using infrared spectroscopy combined with ab initio methods we study reactions of HO and CO inside the confined spaces of Zn-MOF-74 channels. Our results show that, once the wa…
Cluster Assisted Water Dissociation Mechanism in MOF-74 and Controlling it Using Helium
S. Zuluaga, E. M. A. Fuentes-Fernandez, K. Tan +3
We show that the water dissociation reaction HOOH+H in the confined environment of MOF-74 channels can be precisely controlled by the addition of the noble gas He.…
Structural band-gap tuning in g-CN
Sebastian Zuluaga, Li-Hong Liu, Natis Shafiq +4
g-CN is a promising material for hydrogen production from water via photo-catalysis, if we can tune its band gap to desirable levels. Using a combined experimental and ab i…
Structural, elastic, thermal, and electronic response of small-molecule-loaded metal organic framework materials
Pieremanuele Canepa, Kui Tan, Yingjie Du +3
We combine infrared spectroscopy, nano-indentation measurements, and \emph{ab initio} simulations to study the evolution of structural, elastic, thermal, and electronic responses o…