LSMO – Laboratory of Molecular Simulation

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Removing chromium from water

06-05-2020

B. Valizadeh, T. N. Nguyen, S. Kampouri, D. T. Sun, M. D. Mensi, K. Stylianou, B. Smit, and W. L. Queen, A novel integrated Cr(vi) adsorption–photoreduction system using [email protected] composite beads J Mater Chem A  (2020) http://dx.doi.org/10.1039/D0TA01046DAbstract: Herein, a novel integrated adsorption–photoreduction system, which captures highly mobile and toxic hexavalent chromium (Cr(VI)) from real-world water samples (…)

Geometric Landscapes for Material Discovery

29-04-2020

S. M. Moosavi, H. Xu, L. Chen, A. Cooper, and B. Smit, Geometric Landscapes for Material Discovery within Energy-Structure-Function Maps Chem Sci  (2020) DIO: 10.1039/D0SC00049CAbstract Porous molecular crystals are an emerging class of porous materials formed by crystallisation of molecules with weak intermolecular interactions, which distinguishes them from extended nanoporous materials like metal-organic frameworks (MOFs). (…)

Charge transfer of a porphyrin ruthenium MOF

18-04-2020

A. Ortega-Guerrero, M. Fumanal, G. Capano, I. Tavernelli, and B. Smit, Insights into the electronic properties and charge transfer mechanism of a porphyrin ruthenium-based Metal-Organic Framework Chem Mater  (2020) DOI: 10.1021/acs.chemmater.0c00356Abstract: Metal-organic frameworks (MOFs) have attracted significant attention in the field of solar-driven photo-catalysis. Recently, a porphyrin ruthenium-based MOF (Ru-TBP-Zn) has shown highly efficient co-catalyst-free photocatalytic (…)