个人简介

Robert Bell is a Computational Chemist specialising in Materials Modelling. His group uses computational methods to study microporous zeolite materials which are used in catalysis and sorption. This includes the design and optimisation of materials for industrially-relevant chemical processes and in the important area of carbon dioxide capture and utilisation, for which ionic liquids may be also be used. He has a long interest in zeolite framework structure and has developed methods for assessing the feasibility of hypothetical materials. Recently he has developed projects in the area of materials relevant to the nuclear industry. Dr Bell has been at UCL since 2005. Before this, he worked for many years at the Royal Institution of Great Britain as Research Fellow and Senior Research Fellow.

研究领域

Materials and Inorganic Chemistry

Materials Modelling Computational chemistry Carbon capture and Utilisation Catalysis Adsorption Zeolites

近期论文

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Bell, R. G., Sugden, I. J., & Plant, D. F. (2016). Impact scenarios in boron carbide: A computational study. Journal of Theoretical and Computational Chemistry. doi:10.1142/S0219633616500553 Mercy, M., de Leeuw, N. H., & Bell, R. G. (2016). Mechanisms of CO2 Capture in Ionic Liquids: A Computational Perspective. Faraday Discussions. doi:10.1039/C6FD00081A Takada, A., Bell, R. G., & Catlow, C. R. A. (2016). Molecular dynamics study of liquid silica under high pressure. JOURNAL OF NON-CRYSTALLINE SOLIDS, 451, 124-130. doi:10.1016/j.jnoncrysol.2016.06.005 Fischer, M., & Bell, R. G. (2015). A DFT-D study of the interaction of methane, carbon monoxide, and nitrogen with cation-exchanged SAPO-34. ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 230 (5), 311-323. doi:10.1515/zkri-2014-1802 Van Speybroeck, V., Hemelsoet, K., Joos, L., Waroquier, M., Bell, R. G., & Catlow, C. R. A. (2015). Advances in theory and their application within the field of zeolite chemistry. CHEMICAL SOCIETY REVIEWS, 44 (20), 7044-7111. doi:10.1039/c5cs00029g Taylor, S. F. R., McCrellis, C., McStay, C., Jacquemin, J., Hardacre, C., Mercy, M., . . . de Leeuw, N. H. (2015). CO2 Capture in Wet and Dry Superbase Ionic Liquids. JOURNAL OF SOLUTION CHEMISTRY, 44 (3-4), 511-527. doi:10.1007/s10953-015-0319-z Mercy, M., Taylor, S. F. R., Jacquemin, J., Hardacre, C., Bell, R. G., & De Leeuw, N. H. (2015). The addition of CO2 to four superbase ionic liquids: a DFT study. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (43), 28674-28682. doi:10.1039/c5cp05153c Fischer, M., & Bell, R. G. (2014). Cation-exchanged SAPO-34 for adsorption-based hydrocarbon separations: Predictions from dispersion-corrected DFT calculations. Physical Chemistry Chemical Physics, 16 (39), 21062-21072. doi:10.1039/c4cp01049c Fischer, M., & Bell, R. G. (2014). Interaction of hydrogen and carbon dioxide with sod-type zeolitic imidazolate frameworks: A periodic DFT-D study. CrystEngComm, 16 (10), 1934-1949. doi:10.1039/c3ce42209g Fischer, M., & Bell, R. G. (2013). A dispersion-corrected density-functional theory study of small molecules adsorbed in alkali-exchanged chabazites. Zeitschrift für Kristallographie - Crystalline Materials, 228 (3), 124-133. doi:10.1524/zkri.2012.1562 Fischer, M., & Bell, R. G. (2013). Identifying Promising Zeolite Frameworks for Separation Applications: A Building-Block Based Approach. Journal of Physical Chemistry C, 117 (33), 17099–17110. doi:10.1021/jp405507y Fischer, M., & Bell, R. G. (2013). Modeling CO2 Adsorption in Zeolites Using DFT-Derived Charges: Comparing System-Specific and Generic Models. JOURNAL OF PHYSICAL CHEMISTRY C, 117 (46), 24446-24454. doi:10.1021/jp4086969 Torrisi, A., Bell, R. G., & Mellot-Draznieks, C. (2013). Predicting the impact of functionalized ligands on CO2 adsorption in MOFs: A combined DFT and Grand Canonical Monte Carlo study. MICROPOROUS AND MESOPOROUS MATERIALS, 168, 225-238. doi:10.1016/j.micromeso.2012.10.002 Sugden, I. J., Plant, D. F., & Bell, R. G. (2013). Thermal rearrangement mechanisms in icosahedral carboranes and metallocarboranes. CHEMICAL COMMUNICATIONS, 49 (10), 975-977. doi:10.1039/c2cc37520f Fischer, M., & Bell, R. G. (2012). Influence of Zeolite Topology on CO2/N2 Separation Behavior: Force-Field Simulations Using a DFT-Derived Charge Model. The Journal of Physical Chemistry C, 116 (50), 26449-26463. doi:10.1021/jp3099768 Torrisi, A., Bell, R. G., & Mellot-Draznieks, C. (2010). Functionalized MOFs for Enhanced CO2 Capture. CRYSTAL GROWTH & DESIGN, 10 (7), 2839-2841. doi:10.1021/cg100646e Torrisi, A., Mellot-Draznieks, C., & Bell, R. G. (2010). Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. II. Effect of polar and acidic substituents. JOURNAL OF CHEMICAL PHYSICS, 132 (4), ARTN 044705. doi:10.1063/1.3276105 Tribello, G. A., Slater, B., Zwijnenburg, M. A., & Bell, R. G. (2010). Isomorphism between ice and silica. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12 (30), 8597-8606. doi:10.1039/b916367k Simmance, K., Sankar, G., Bell, R. G., Prestipino, C., & van Beek, W. (2010). Tracking the formation of cobalt substituted ALPO-5 using simultaneous in situ X-ray diffraction and X-ray absorption spectroscopy techniques. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12 (3), 559-562. doi:10.1039/b920245e Thomas, J. M., Hernandez-Garrido, J. C., & Bell, R. G. (2009). A General Strategy for the Design of New Solid Catalysts for Environmentally Benign Conversions. Topics in Catalysis, 52, 1630-1639. doi:10.1007/s11244-009-9302-5 Torrisi, A., Mellot-Draznieks, C., & Bell, R. G. (2009). Impact of ligands on CO2 adsorption in metal-organic frameworks: First principles study of the interaction of CO2 with functionalized benzenes. I. Inductive effects on the aromatic ring. Journal of Chemical Physics, 130, 194703-?. doi:10.1063/1.3120909 Thomas, J. M., Hernandez-Garrido, J. C., Raja, R., & Bell, R. G. (2009). Nanoporous oxidic solids: the confluence of heterogeneous and homogeneous catalysis. Physical Chemistry Chemical Physics, 11, 2799-2825. doi:10.1039/b819249a Coombes, D. S., Cora, F., Mellot-Draznieks, C., & Bell, R. G. (2009). Sorption-Induced Breathing in the Flexible Metal Organic Framework CrMIL-53: Force-Field Simulations and Electronic Structure Analysis. The Journal of Physical Chemistry C, 113, 544-552. doi:10.1021/jp809408x Tang, L., Shi, L., Bonneau, C., Sun, J., Yue, H., Ojuva, A., . . . Zou, X. (2008). A zeolite family with chiral and achiral structures built from the same building layer. Nature Materials, 7, 381-?. doi:10.1038/nmat2169 Zwijnenburg, M. A., Bell, & R, G. (2008). Absence of limitations on the framework density and pore size of high-silica zeolites. Chemistry of Materials, 20, 3008-?. doi:10.1021/cm702175q