A Joint Experimental/Computational Exploration of the Dynamics of Confined Water/Zr-Based MOFs Systems
作者： Arnaud Planchais , Sabine Devautour-Vinot , Fabrice Salles , Florence Ragon , Thomas Devic
DOI: 10.1021/JP5039267
关键词:
摘要: A joint modeling (molecular dynamics simulations)/experimental (broadband dielectric spectroscopy) approach was conducted to investigate the water adsorption in UiO-66(Zr) MOF, and its functionalized versions bearing acidic polar groups (−COOH or 2-COOH per linker). It first pointed out that proton conduction measured at room temperature increases with (i) uptake (ii) concentration of free carboxylic functions. This trend further analyzed light preferential arrangements within pores each MOF as elucidated by molecular simulations. Indeed, it revealed guest molecules preferentially form interconnected clusters UiO-66(Zr)s cages generate a H-bond network responsible for propagation strongly interact −COOH grafted functions, resulting creation additional charge carriers case hydrated solids. Broadband spectroscopy shed l...
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sci-hub.se 参考文章(69)
Erick B. Winston, Peter J. Lowell, Jaroslav Vacek, Jana Chocholoušová, Josef Michl, John C. Price, Dipolar molecular rotors in the metal–organic framework crystal IRMOF-2 Physical Chemistry Chemical Physics. ,vol. 10, pp. 5188- 5191 ,(2008) , 10.1039/B808104B
A. Corma, H. García, F. X. Llabrés i Xamena, Engineering Metal Organic Frameworks for Heterogeneous Catalysis Chemical Reviews. ,vol. 110, pp. 4606- 4655 ,(2010) , 10.1021/CR9003924
Jared M. Taylor, Karl W. Dawson, George K. H. Shimizu, A Water-Stable Metal–Organic Framework with Highly Acidic Pores for Proton-Conducting Applications Journal of the American Chemical Society. ,vol. 135, pp. 1193- 1196 ,(2013) , 10.1021/JA310435E
Ji Yu, Min Gu, Ce Bian, Xibin Xu, Tong B. Tang, An impedance spectroscopy study of the rotation and reorientation of water molecules in hydrated graphite oxide Carbon. ,vol. 61, pp. 367- 372 ,(2013) , 10.1016/J.CARBON.2013.05.018
Silvina Cerveny, Gustavo A. Schwartz, Jon Otegui, Juan Colmenero, Juliane Loichen, Stephan Westermann, Dielectric Study of Hydration Water in Silica Nanoparticles Journal of Physical Chemistry C. ,vol. 116, pp. 24340- 24349 ,(2012) , 10.1021/JP307826S
Jian-Rong Li, Yuguang Ma, M Colin McCarthy, Julian Sculley, Jiamei Yu, Hae-Kwon Jeong, Perla B Balbuena, Hong-Cai Zhou, None, Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks Coordination Chemistry Reviews. ,vol. 255, pp. 1791- 1823 ,(2011) , 10.1016/J.CCR.2011.02.012
Christian Serre, Thomas Devic, Guillaume Maurin, Hervé Jobic, Philip L. Llewellyn, Guy De Weireld, Alexandre Vimont, Marco Daturi, Jong-San Chang, Gérard Férey, Why hybrid porous solids capture greenhouse gases Chemical Society Reviews. ,vol. 40, pp. 550- 562 ,(2011) , 10.1039/C0CS00040J
Maarten G. Goesten, Jana Juan-Alcañiz, Enrique V. Ramos-Fernandez, K.B. Sai Sankar Gupta, Eli Stavitski, Herman van Bekkum, Jorge Gascon, Freek Kapteijn, Sulfation of metal–organic frameworks: Opportunities for acid catalysis and proton conductivity Journal of Catalysis. ,vol. 281, pp. 177- 187 ,(2011) , 10.1016/J.JCAT.2011.04.015
Jasmina Hafizovic Cavka, Søren Jakobsen, Unni Olsbye, Nathalie Guillou, Carlo Lamberti, Silvia Bordiga, Karl Petter Lillerud, A new zirconium inorganic building brick forming metal organic frameworks with exceptional stability. Journal of the American Chemical Society. ,vol. 130, pp. 13850- 13851 ,(2008) , 10.1021/JA8057953
Gregory E. Cmarik, Min Kim, Seth M. Cohen, Krista S. Walton, Tuning the adsorption properties of UiO-66 via ligand functionalization. Langmuir. ,vol. 28, pp. 15606- 15613 ,(2012) , 10.1021/LA3035352