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Recent publications

For those of your who like statistics and citation scores; these are compiled here from the Web of Science and here on Google Scholar.

Most of the recent articles we have published are open access. You can find a pdf of the article by cliking on the open access symbol.

Photocatalytic Hydrogen Generation from a Visible-light Responsive Metal-organic Framework System: Stability versus Activity of Molybdenum Sulfide Co-catalysts

T. N. Nguyen, S. Kampouri, B. Valizadeh, W. Luo, D. Ongari, O. M. Planes, A. Zuttel, B. Smit, and K. C. Stylianou, Photocatalytic Hydrogen Generation from a Visible-light Responsive Metal-organic Framework System: Stability versus Activity of Molybdenum Sulfide Co-catalysts

Generating carbon schwarzites via zeolite-templating

E. Braun, Y. Lee, S. M. Moosavi, S. Barthel, R. Mercado, I. A. Baburin, D. M. Proserpio, and B. Smit, Generating carbon schwarzites via zeolite-templating Proc Natl Acad Sci USA  (2018) http://dx.doi.org/10.1073/pnas.1805062115

Abstract: Zeolite-templated carbons (ZTCs) comprise a relatively recent material class synthesized via the chemical vapor deposition of a carbon-containing precursor on a zeolite template, followed by the removal of the template. …

Anomalous effects of velocity rescaling algorithms: the flying ice cube effect revisited

E. Braun, S. M. Moosavi, and B. Smit, Anomalous effects of velocity rescaling algorithms: the flying ice cube effect revisited J Chem Theory Comput.  (2018) http://dx.doi.org/10.1021/acs.jctc.8b00446

Abstract The flying ice cube effect is a molecular dynamics simulation artifact in which the use of velocity rescaling thermostats sometimes causes the violation of the equipartition theorem, affecting both structural and dynamic properties. …

High-throughput screening approach for nanoporous materials genome using topological data analysis: application to zeolites

Y. Lee, S. D. Barthel, P. Dlotko, S. M. Moosavi, K. Hess, and B. Smit, High-throughput screening approach for nanoporous materials genome using topological data analysis: application to zeolites J Chem Theory Comput  (2018) http://dx.doi.org/10.1021/acs.jctc.8b00253

In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications

R. Mercado, R.-S. Fu, A. V. Yakutovich, L. Talirz, M. Haranczyk, and B. Smit, In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications Chem Mat. (2018) http://dx.doi.org/10.1021/acs.chemmater.8b01425

Abstract: Here we present a database of 69,840 largely novel covalent organic frameworks assembled in silico from 666 distinct organic linkers and four established synthetic routes. …

Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids

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S. M. Moosavi, P. G. Boyd, L. Sarkisov, and B. Smit, Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids ACS Central Sci.  (2018) http://dx.doi.org/10.1021/acscentsci.8b00157

Abstract: Metal–organic frameworks (MOFs) have emerged as versatile materials for applications ranging from gas separation and storage, catalysis, and sensing. …

Porous Metal–Organic Framework@Polymer Beads for Iodine Capture and Recovery Using a Gas‐Sparged Column

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B. Valizadeh, T. N. Nguyen, B. Smit, and K. C. Stylianou, Porous Metal–Organic Framework@Polymer Beads for Iodine Capture and Recovery Using a Gas‐Sparged Column Adv Funct Mater, 28 (30), 1801596 (2018) http://dx.doi.org/10.1002/adfm.201801596


Lanthanide-based Near-Infrared Emitting Metal-Organic Frameworks with Tunable Excitation Wavelengths and High Quantum Yields

T. N. Nguyen, G. Capano, A. Gladysiak, F. Ebrahim, S. Eliseeva, A. Chidambaram, B. Valizadeh, S. Petoud, B. Smit, and K. Stylianou, Lanthanide-based Near-Infrared Emitting Metal-Organic Frameworks with Tunable Excitation Wavelengths and High Quantum Yields


© Berend Smit 2018