| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Wright, Paul A.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (14/14 displayed)
- 2023Synthetic control of the defect structure and hierarchical extra-large-/small-pore microporosity in aluminosilicate zeolite SWYcitations
- 2019New directions in metal phosphonate and phosphinate chemistrycitations
- 2015Structural Origin of Unusual CO 2 Adsorption Behavior of a Small-Pore Aluminum Bisphosphonate MOFcitations
- 2014Stabilization of scandium terephthalate MOFs against reversible amorphization and structural phase transition by guest uptake at extreme pressurecitations
- 2013Elucidating the breathing of the metal-organic framework MIL-53(Sc) with ab initio molecular dynamics simulations and in situ X-ray Powder Diffraction Experimentscitations
- 2013Post-synthetic incorporation of nickel into CPO-27(Mg) to give materials with enhanced permanent porositycitations
- 2011A co-templating route to the synthesis of Cu SAPO STA-7, giving an active catalyst for the selective catalytic reduction of NO
- 2011A co-templating route to the synthesis of Cu SAPO STA-7, giving an active catalyst for the selective catalytic reduction of NOcitations
- 2010Assessing Molecular Transport Properties of Nanoporous Materials by Interference Microscopycitations
- 2009Lanthanide N,N '-piperazine-bis(methylenephosphonates) (Ln = La, Ce, Nd) that display flexible frameworks, reversible hydration and cation exchangecitations
- 2006Complex zeolite structure solved by combining powder diffraction and electron microscopycitations
- 2006Novel open-framework architectures in lanthanide phosphonatescitations
- 2002Control of structure, pore size and morphology of three-dimensionally ordered mesoporous silicas prepared using the dicationic surfactant [CH3(CH2)15N(CH3)2(CH 2)3N(CH3)3]BR2citations
- 2001Solid-state transformations of zinc 1,4-benzenedicarboxylates mediated by hydrogen-bond-forming molecules
Places of action
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article
Stabilization of scandium terephthalate MOFs against reversible amorphization and structural phase transition by guest uptake at extreme pressure
Abstract
<p>Previous high-pressure experiments have shown that pressure-transmitting fluids composed of small molecules can be forced inside the pores of metal organic framework materials, where they can cause phase transitions and amorphization and can even induce porosity in conventionally nonporous materials. Here we report a combined high-pressure diffraction and computational study of the structural response to methanol uptake at high pressure on a scandium terephthalate MOF (Sc<sub>2</sub>BDC<sub>3</sub>, BDC = 1,4-benzenedicarboxylate) and its nitro-functionalized derivative (Sc <sub>2</sub>(NO<sub>2</sub>-BDC)<sub>3</sub>) and compare it to direct compression behavior in a nonpenetrative hydrostatic fluid, Fluorinert-77. In Fluorinert-77, Sc<sub>2</sub>BDC<sub>3</sub> displays amorphization above 0.1 GPa, reversible upon pressure release, whereas Sc<sub>2</sub>(NO <sub>2</sub>-BDC)<sub>3</sub> undergoes a phase transition (C2/c to Fdd2) to a denser but topologically identical polymorph. In the presence of methanol, the reversible amorphization of Sc<sub>2</sub>BDC<sub>3</sub> and the displacive phase transition of the nitro-form are completely inhibited (at least up to 3 GPa). Upon uptake of methanol on Sc<sub>2</sub>BDC<sub>3</sub>, the methanol molecules are found by diffraction to occupy two sites, with preferential relative filling of one site compared to the other: grand canonical Monte Carlo simulations support these experimental observations, and molecular dynamics simulations reveal the likely orientations of the methanol molecules, which are controlled at least in part by H-bonding interactions between guests. As well as revealing the atomistic origin of the stabilization of these MOFs against nonpenetrative hydrostatic fluids at high pressure, this study demonstrates a novel high-pressure approach to study adsorption within a porous framework as a function of increasing guest content, and so to determine the most energetically favorable adsorption sites.</p>