Searched for: department%3A%22ChemE%255C%257Eslsh%257ECatalysis%255C+Engineering%22
(1 - 4 of 4)
document
García-Pérez, E. (author), Serra-Crespo, P. (author), Hamad, S. (author), Kapteijn, F. (author), Gascon, J. (author)
Simulation of gas adsorption in flexible porous materials is still limited by the slow progress in the development of flexible force fields. Moreover, the high computational cost of such flexible force fields may be a drawback even when they are fully developed. In this work, molecular simulations of gas adsorption and diffusion of carbon...
journal article 2014
document
Nasalevich, M.A. (author), Van der Veen, M. (author), Kapteijn, F. (author), Gascon, J. (author)
The use of metal organic frameworks (MOFs) as heterogeneous photocatalysts is critically reviewed. First we revisit the general assumption of MOFs behaving truly as semiconductors, demonstrating that such semiconducting behaviour only occurs in a very limited subset of materials. Further, the main approaches for efficient light harvesting and...
journal article 2014
document
Yang, J. (author), Lutz, M. (author), Grzech, A. (author), Mulder, F.M. (author), Dingemans, T.J. (author)
Self-assembled Cu-based coordination polymers derived from thiophene-2,5-dicarboxylic acid (Cu-TDC) and furan-2,5-dicarboxylic acid (Cu-FDC) were synthesized via a solvothermal method and their H2 adsorption behaviour was investigated and contrasted with isophthalic acid (Cu-m-BDC) and terephthalic acid (Cu-BDC) derivatives. Both heterocyclic...
journal article 2014
document
Serra-Crespo, P. (author), Dikhtiarenko, A. (author), Stavitski, E. (author), Juan-Alcañiz, J. (author), Kapteijn, F. (author), Coudert, F.X. (author), Gascon, J. (author)
We report a series of powder X-ray diffraction experiments performed on the soft porous crystals MIL-53(Al) and NH2-MIL-53(Al) in a diamond anvil cell under different pressurization media. Systematic refinements of the obtained powder patterns demonstrate that these materials expand along a specific direction while undergoing total volume...
journal article 2014
Searched for: department%3A%22ChemE%255C%257Eslsh%257ECatalysis%255C+Engineering%22
(1 - 4 of 4)