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Latest News
DePoly the first >>venture>> Grand Prize winner
DePoly, the LSMO team with Sam, Chris and Bardiya has won CHF150k at the >>venture>> award ceremony held yesterday at ETH Zurich. The team has developed a novel solution allowing the chemical recycling of PET plastic. More info here and here the article in the Nouvelliste
Sudi and Mohamad’s work on the cover of JACS
With the group of Wendy Queen’s group their calculations show how MOFs are stabilized by the addition of polymers.More details:L. Peng, S. Yang, S. Jawahery, S. M. Moosavi, A. J. Huckaba, M. Asgari, E. Oveisi, M. K. Nazeeruddin, B. Smit, and W. L. Queen, Preserving Porosity of Mesoporous Metal-Organic Frameworks through the Introduction of Polymer (…)
Preserving Porosity in MOFs
Sudi and Mohamad contributed to a nice article in JACS of Li Peng of Wendy Queen’s group of EPFL.The article can be found here: doi: 10.1021/jacs.9b05967Here are some of the press releases in: www.eurekalert.org www.sciencedaily.com
Latest publications
Simulating Enhanced Methane Deliverable Capacity in Intrinsically Flexible MOFs
M. Witman, B. Wright, and B. Smit, Simulating Enhanced Methane Deliverable Capacity of Guest Responsive Pores in Intrinsically Flexible MOFs J Phys Chem Lett, 5929 (2019) doi: 10.1021/acs.jpclett.9b02449AbstractA novel computational procedure, based on the principles of flat-histogram Monte Carlo, is developed for the facile prediction of the adsorption thermodynamics of intrinsically flexible adsorbents. We then (…)
Carbons with Regular Pore Geometry as Supercapacitor Charge Storage
Y. M. Liu, C. Merlet, and B. Smit, Carbons with Regular Pore Geometry Yield Fundamental Insights into Supercapacitor Charge Storage ACS Central Sci (2019) doi: 10.1021/acscentsci.9b00800Abstract: We conduct molecular dynamics simulations of electrical double-layer capacitors (EDLCs) using a library of ordered, porous carbon electrode materials called zeolite templated carbons (ZTCs). The well-defined pore shapes of (…)
Building a Consistent and Reproducible Database for COFs
D. Ongari, A. V. Yakutovich, L. Talirz, and B. Smit, Building a Consistent and Reproducible Database for Adsorption Evaluation in Covalent–Organic Frameworks ACS Cent Sci (2019) doi: 10.1021/acscentsci.9b00619Abstract: We present a workflow that traces the path from the bulk structure of a crystalline material to assessing its performance in carbon capture from coal’s postcombustion flue gases. (…)