Home Page

Smit-4

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.

. .


Open_Access_logo_PLoS_white.svg

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.


Performance of Van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal–Organic Frameworks

Untitled

B. Vlaisavljevich, J. M. Huck, Z. Hulvey, K. Lee, J. A. Mason, J. B. Neaton, J. R. Long, C. M. Brown, D. Alfè, A. Michaelides, and B. Smit, Performance of Van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal–Organic Frameworks J Phys Chem C  (2017)

The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials

TOC graphic

M. Witman, S. Ling, S. Jawahery, P. Boyd, M. Haranczyk, B. Slater, and B. Smit, The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials J. Am. Chem. Soc.  (2017) http://dx.doi.org/10.1021/jacs.7b01688

Abstract: For applications of metal-organic frameworks (MOFs) such as gas storage and separation, flexibility is often seen as a parameter that can tune material performance. …

The Materials Geonome in Action: Identifying the Performance Limits of Physical Hydrogen Storage

A. W. Thornton, C. M. Simon, J. Kim, O. Kwon, K. S. Deeg, K. Konstas, S. J. Pas, M. R. Hill, D. A. Winkler, M. Haranczyk, and B. Smit, The Materials Geonome in Action: Identifying the Performance Limits of Physical Hydrogen Storage  Chem Matt  (2017)

Adsorbate-induced lattice deformation in IRMOF-74 series

ncomms13945-f7

S. Jawahery, C. M. Simon, E. Braun, M. Witman, D. Tiana, B. Vlaisavljevich, and B. Smit, Adsorbate-induced lattice deformation in IRMOF-74 series Nat Commun 8, 13945 (2017) http://dx.doi.org/10.1038/ncomms13945

ABSTRACT: IRMOF-74 analogues are among the most widely studied metal-organic frameworks (MOFs) for adsorption applications because of their one-dimensional channels and high metal density. …

Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties

C. M. Simon, E. Braun, C. Carraro, and B. Smit, Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties P Natl Acad Sci USA 114(3) E287 (2017) http://dx.doi.org/10.1073/pnas.1613874114

Abstract: Some nanoporous, crystalline materials possess dynamic constituents, for example, rotatable moieties. …

On the Force Field Prediction of Materials Properties in Metal Organic Frameworks

jz-2016-02532s_0004

P. G. Boyd, S. M. Moosavi, M. Witman, and B. Smit, On the Force Field Prediction of Materials Properties in Metal Organic Frameworks J Phys Chem Lett 8(2) 357 (2017) http://dx.doi.org/10.1021/acs.jpclett.6b02532

Abstract: In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. …

Effects of Zeolite Pore and Cage Topology on Thermodynamics of n-Alkane Adsorption at Brønsted Protons in Zeolites at High Temperature

A. Janda, B. Vlaisavljevich, B. Smit, L.-C. Lin, and A. T. Bell, Effects of Zeolite Pore and Cage Topology on Thermodynamics of n-Alkane Adsorption at Brønsted Protons in Zeolites at High Temperature J Phys Chem C, 121, 1618  (2017) http://dx.doi.org/10.1021/acs.jpcc.6b09703

Rational Design of a Low-Cost, High-Performance Metal-Organic Framework for Hydrogen Storage and Carbon Capture

jp-2016-10363u_0009

M. Witman, S. Ling, A. Gładysiak, K. C. Stylianou, B. Smit, B. Slater, and M. Haranczyk, Rational Design of a Low-Cost, High-Performance Metal-Organic Framework for Hydrogen Storage and Carbon Capture J Phys Chem C 121(2) 1171 (2017) http://dx.doi.org/10.1021/acs.jpcc.6b10363


© Berend Smit 2017