Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Jelle Wieme"'
Autor:
Alexander E. J. Hoffman, Irena Senkovska, Jelle Wieme, Alexander Krylov, Stefan Kaskel, Veronique Van Speybroeck
Publikováno v:
JOURNAL OF MATERIALS CHEMISTRY A
Phase transitions in flexible metal-organic frameworks or soft porous crystals are mediated by low-frequency phonons or rigid-unit modes. The alteration of specific building blocks may change the lattice dynamics of these frameworks, which can influe
Autor:
Sven Rogge, Jin-Chong Tan, Aran Lamaire, Clive R. Siviour, Yueting Sun, Steven Vandenbrande, Jelle Wieme, Veronique Van Speybroeck
Publikováno v:
NATURE MATERIALS
Nature Materials
Nature Materials
Optimal mechanical impact absorbers are reusable and exhibit high specific energy absorption. The forced intrusion of liquid water in hydrophobic nanoporous materials, such as zeolitic imidazolate frameworks (ZIFs), presents an attractive pathway to
Autor:
Jelle Wieme, Veronique Van Speybroeck
Publikováno v:
Journal of Materials Chemistry A
JOURNAL OF MATERIALS CHEMISTRY A
JOURNAL OF MATERIALS CHEMISTRY A
Thermal stress is present in metal–organic frameworks undergoing temperature changes during adsorption and desorption. We computed the thermal pressure coefficient as a proxy for this phenomenon and discuss the impact of thermal expansion mismatch.
Autor:
Chun-Man Chow, Jelle Wieme, David Fairen-Jimenez, N. Moharrami, Sven Rogge, Diego A. Gómez-Gualdrón, Gareth Conduit, Marta Aragones-Anglada, Aurelia Li, Veronique Van Speybroeck, Peyman Z. Moghadam
Publikováno v:
MATTER
Matter
Matter
Summary Assessing the mechanical stability of metal-organic frameworks (MOFs) is critical to bring these materials to any application. Here, we derive the first interactive map of the structure-mechanical landscape of MOFs by performing a multi-level
Autor:
Ondrej Marsalek, Gareth A. Tribello, Venkat Kapil, Igor Poltavsky, David M. Wilkins, Alexandre Tkatchenko, Benjamin A. Helfrecht, Jelle Wieme, Veronique Van Speybroeck, Thomas D. Kühne, Robert H. Meißner, Wei Fang, Clémence Corminboeuf, David E. Manolopoulos, Thomas E. Markland, Michele Ceriotti, Alice Cuzzocrea, Steven Vandenbrande, Jan Kessler, Bingqing Cheng, Yair Litman, Mariana Rossi, Thomas Spura, Riccardo Petraglia, Sébastien P. Bienvenue, Jeremy O. Richardson, Przemysław Juda
Publikováno v:
Computer Physics Communications
Kapil, V, Rossi, M, Marsalek, O, Petraglia, R, Litman, Y, Spura, T, Cheng, B, Cuzzocrea, A, Meißner, R H, Wilkins, D M, Helfrecht, B A, Juda, P, Bienvenue, S P, Fang, W, Kessler, J, Poltavsky, I, Vandenbrande, S, Wieme, J, Corminboeuf, C, Kühne, T D, Manolopoulos, D E, Markland, T E, Richardson, J O, Tkatchenko, A, Tribello, G A, Van Speybroeck, V & Ceriotti, M 2018, ' i-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations ', Computer Physics Communications . https://doi.org/10.1016/j.cpc.2018.09.020
ResearcherID
Computer Physics Communications, 236
COMPUTER PHYSICS COMMUNICATIONS
Kapil, V, Rossi, M, Marsalek, O, Petraglia, R, Litman, Y, Spura, T, Cheng, B, Cuzzocrea, A, Meißner, R H, Wilkins, D M, Helfrecht, B A, Juda, P, Bienvenue, S P, Fang, W, Kessler, J, Poltavsky, I, Vandenbrande, S, Wieme, J, Corminboeuf, C, Kühne, T D, Manolopoulos, D E, Markland, T E, Richardson, J O, Tkatchenko, A, Tribello, G A, Van Speybroeck, V & Ceriotti, M 2018, ' i-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations ', Computer Physics Communications . https://doi.org/10.1016/j.cpc.2018.09.020
ResearcherID
Computer Physics Communications, 236
COMPUTER PHYSICS COMMUNICATIONS
Progress in the atomic-scale modeling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomic forces that work by either solving the electronic structure problem e
Autor:
Johan A. Martens, Christine E. A. Kirschhock, Erika de Oliveira Jardim, Jorge A. R. Navarro, Sven Rogge, Joaquín Silvestre-Albero, Jelle Wieme, Steven Vandenbrande, Lik Hong Wee, Veronique Van Speybroeck, Karel Asselman
Publikováno v:
RUA. Repositorio Institucional de la Universidad de Alicante
Universidad de Alicante (UA)
Digibug. Repositorio Institucional de la Universidad de Granada
instname
Journal of the American Chemical Society
Digibug: Repositorio Institucional de la Universidad de Granada
Universidad de Granada (UGR)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Universidad de Alicante (UA)
Digibug. Repositorio Institucional de la Universidad de Granada
instname
Journal of the American Chemical Society
Digibug: Repositorio Institucional de la Universidad de Granada
Universidad de Granada (UGR)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/jacs.0c08942.
L.H.W. acknowledges the Fonds Wetenschappelijk Onderzoek (FWO) - Vlaanderen for a senior postdoctoral research fellowship and International
L.H.W. acknowledges the Fonds Wetenschappelijk Onderzoek (FWO) - Vlaanderen for a senior postdoctoral research fellowship and International
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6b078da5e04c271c4a02b5728863f2bf
https://hdl.handle.net/10045/114057
https://hdl.handle.net/10045/114057
Autor:
Veronique Van Speybroeck, Aran Lamaire, Jelle Wieme, Daan Van Havere, Raymond Thür, Ivo F.J. Vankelecom, Niels Van Velthoven, Dirk De Vos, Simon Smolders
Publikováno v:
JOURNAL OF MATERIALS CHEMISTRY A
Journal of Materials Chemistry A
Journal of Materials Chemistry A
Consistent structure-performance relationships for the design of MOF (metal-organic framework)-based mixed-matrix membranes (MMMs) for gas separation are currently scarce in MMM literature. An important step in establishing such relationships could b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::832c3cd921b24f06765e86f7832cb048
https://hdl.handle.net/1854/LU-8714129
https://hdl.handle.net/1854/LU-8714129
Publikováno v:
FARADAY DISCUSSIONS
Faraday Discussions
Faraday Discussions
To exploit the full potential of metal-organic frameworks as solid adsorbents in water-adsorption applications, many challenges remain to be solved. A more fundamental insight into the properties of the host material and the influence that water exer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af3c7ed0c8704fe9f6ccdb84b8f4cee3
https://biblio.ugent.be/publication/8698482
https://biblio.ugent.be/publication/8698482
Autor:
Pascal G. Yot, Kyung Ho Cho, Jong-San Chang, Ji Sun Lee, Louis Vanduyfhuys, Dominique Granier, Jelle Wieme, Paul Iacomi, Veronique Van Speybroeck, Guillaume Maurin, Pierre Fertey
Publikováno v:
Chemical Science
Chemical Science, The Royal Society of Chemistry, 2021, ⟨10.1039/D1SC00205H⟩
CHEMICAL SCIENCE
Chemical Science, The Royal Society of Chemistry, 2021, ⟨10.1039/D1SC00205H⟩
CHEMICAL SCIENCE
Mercury porosimetry and in situ high pressure single crystal X-ray diffraction revealed the wine-rack CUK-1 MOF as a unique crystalline material capable of a fully reversible mechanical pressure-triggered structural contraction. The near-absence of h
Autor:
Jelle Wieme, Guillaume Maurin, Veronique Van Speybroeck, Michel Waroquier, Steven Vandenbrande, Louis Vanduyfhuys, Sven Rogge
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
Nature Communications
NATURE COMMUNICATIONS
Nature Communications
NATURE COMMUNICATIONS
Knowledge of the thermodynamic potential in terms of the independent variables allows to characterize the macroscopic state of the system. However, in practice, it is difficult to access this potential experimentally due to irreversible transitions t