| 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
Structural Origin of Unusual CO 2 Adsorption Behavior of a Small-Pore Aluminum Bisphosphonate MOF
Abstract
The adsorption of CO2, CH4, and N-2 at 303 K by MIL-91(Al), one of the few porous phosphonate-based-MOFs, has been investigated by combining advanced experimental and computational tools. Whereas CH4 and N-2 adsorption isotherms exhibit type I behavior, the reversible CO2 isotherm displays an unusual inflection point at low pressure. In situ X-ray powder diffraction and infrared spectroscopy showed structural changes of this small-pore MOF upon CO2 adsorption. Grand canonical Monte Carlo simulations delivered a detailed picture of the adsorption mechanisms at the microscopic level. The so-predicted arrangements of the confined CO2 molecules were supported by analysis of the in situ diffraction and infrared experiments. It was shown that while adsorbed CH4 and N-2 are located mainly in the center of the pores, CO2 molecules interact with the hydrogen-bonded POHN acidbase pairs. This results in a relatively high adsorption enthalpy for CO2 of ca. -40 kJ mol(-1), which suggests that this material might be of interest for CO2 capture at low pressure (postcombustion).