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Effects of Si/Al ratio on the distribution of framework Al and on the rates of alkane monomolecular cracking and dehydrogenation in H-MFI.

Journal of the American Chemical Society

Janda A, Bell AT.
PMID: 24237304
J Am Chem Soc. 2013 Dec 26;135(51):19193-207. doi: 10.1021/ja4081937. Epub 2013 Dec 11.

The aim of this study was to investigate the influence of Si/Al ratio on the locations of exchangeable cations in H-MFI and on the monomolecular cracking and dehydrogenation reactions of n-butane. On the basis of UV-visible spectroscopic analysis of...

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Janda A, Bell AT. Effects of Si/Al ratio on the distribution of framework Al and on the rates of alkane monomolecular cracking and dehydrogenation in H-MFI. J Am Chem Soc. 2013;135(51):19193-207doi: 10.1021/ja4081937.
Janda, A., & Bell, A. T. (2013). Effects of Si/Al ratio on the distribution of framework Al and on the rates of alkane monomolecular cracking and dehydrogenation in H-MFI. Journal of the American Chemical Society, 135(51), 19193-207. https://doi.org/10.1021/ja4081937
Janda, Amber, and Bell, Alexis T. "Effects of Si/Al ratio on the distribution of framework Al and on the rates of alkane monomolecular cracking and dehydrogenation in H-MFI." Journal of the American Chemical Society vol. 135,51 (2013): 19193-207. doi: https://doi.org/10.1021/ja4081937
Janda A, Bell AT. Effects of Si/Al ratio on the distribution of framework Al and on the rates of alkane monomolecular cracking and dehydrogenation in H-MFI. J Am Chem Soc. 2013 Dec 26;135(51):19193-207. doi: 10.1021/ja4081937. Epub 2013 Dec 11. PMID: 24237304.
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Angle resolved vibrational properties of anisotropic transition metal trichalcogenide nanosheets.

Nanoscale

Kong W, Bacaksiz C, Chen B, Wu K, Blei M, Fan X, Shen Y, Sahin H, Wright D, Narang DS, Tongay S.
PMID: 28282099
Nanoscale. 2017 Mar 23;9(12):4175-4182. doi: 10.1039/c7nr00711f.

Layered transition metal trichalcogenides (TMTCs) are a new class of anisotropic two-dimensional materials that exhibit quasi-1D behavior. This property stems from their unique highly anisotropic crystal structure where vastly different material properties can be attained from different crystal directions....

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Kong W, Bacaksiz C, Chen B, et al. Angle resolved vibrational properties of anisotropic transition metal trichalcogenide nanosheets. Nanoscale. 2017;9(12):4175-4182doi: 10.1039/c7nr00711f.
Kong, W., Bacaksiz, C., Chen, B., Wu, K., Blei, M., Fan, X., Shen, Y., Sahin, H., Wright, D., Narang, D. S., & Tongay, S. (2017). Angle resolved vibrational properties of anisotropic transition metal trichalcogenide nanosheets. Nanoscale, 9(12), 4175-4182. https://doi.org/10.1039/c7nr00711f
Kong, Wilson, et al. "Angle resolved vibrational properties of anisotropic transition metal trichalcogenide nanosheets." Nanoscale vol. 9,12 (2017): 4175-4182. doi: https://doi.org/10.1039/c7nr00711f
Kong W, Bacaksiz C, Chen B, Wu K, Blei M, Fan X, Shen Y, Sahin H, Wright D, Narang DS, Tongay S. Angle resolved vibrational properties of anisotropic transition metal trichalcogenide nanosheets. Nanoscale. 2017 Mar 23;9(12):4175-4182. doi: 10.1039/c7nr00711f. PMID: 28282099.
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Differential Electrochemical Mass Spectrometer Cell Design for Online Quantification of Products Produced during Electrochemical Reduction of CO₂.

Analytical chemistry

Clark EL, Singh MR, Kwon Y, Bell AT.
PMID: 26153829
Anal Chem. 2015 Aug 04;87(15):8013-20. doi: 10.1021/acs.analchem.5b02080. Epub 2015 Jul 23.

The discovery of electrocatalysts that can efficiently reduce CO2 to fuels with high selectivity is a subject of contemporary interest. Currently, the available analytical methods for characterizing the products of CO2 reduction require tens of hours to obtain the...

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Clark EL, Singh MR, Kwon Y, et al. Differential Electrochemical Mass Spectrometer Cell Design for Online Quantification of Products Produced during Electrochemical Reduction of CO₂. Anal Chem. 2015;87(15):8013-20doi: 10.1021/acs.analchem.5b02080.
Clark, E. L., Singh, M. R., Kwon, Y., & Bell, A. T. (2015). Differential Electrochemical Mass Spectrometer Cell Design for Online Quantification of Products Produced during Electrochemical Reduction of CO₂. Analytical chemistry, 87(15), 8013-20. https://doi.org/10.1021/acs.analchem.5b02080
Clark, Ezra L, et al. "Differential Electrochemical Mass Spectrometer Cell Design for Online Quantification of Products Produced during Electrochemical Reduction of CO₂." Analytical chemistry vol. 87,15 (2015): 8013-20. doi: https://doi.org/10.1021/acs.analchem.5b02080
Clark EL, Singh MR, Kwon Y, Bell AT. Differential Electrochemical Mass Spectrometer Cell Design for Online Quantification of Products Produced during Electrochemical Reduction of CO₂. Anal Chem. 2015 Aug 04;87(15):8013-20. doi: 10.1021/acs.analchem.5b02080. Epub 2015 Jul 23. PMID: 26153829.
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Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels.

Proceedings of the National Academy of Sciences of the United States of America

Singh MR, Clark EL, Bell AT.
PMID: 26504215
Proc Natl Acad Sci U S A. 2015 Nov 10;112(45):E6111-8. doi: 10.1073/pnas.1519212112. Epub 2015 Oct 26.

Thermodynamic, achievable, and realistic efficiency limits of solar-driven electrochemical conversion of water and carbon dioxide to fuels are investigated as functions of light-absorber composition and configuration, and catalyst composition. The maximum thermodynamic efficiency at 1-sun illumination for adiabatic electrochemical...

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Singh MR, Clark EL, Bell AT. Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels. Proc Natl Acad Sci U S A. 2015;112(45):E6111-8doi: 10.1073/pnas.1519212112.
Singh, M. R., Clark, E. L., & Bell, A. T. (2015). Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels. Proceedings of the National Academy of Sciences of the United States of America, 112(45), E6111-8. https://doi.org/10.1073/pnas.1519212112
Singh, Meenesh R, et al. "Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels." Proceedings of the National Academy of Sciences of the United States of America vol. 112,45 (2015): E6111-8. doi: https://doi.org/10.1073/pnas.1519212112
Singh MR, Clark EL, Bell AT. Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels. Proc Natl Acad Sci U S A. 2015 Nov 10;112(45):E6111-8. doi: 10.1073/pnas.1519212112. Epub 2015 Oct 26. PMID: 26504215; PMCID: PMC4653150.
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Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes.

Physical chemistry chemical physics : PCCP

Hauser AW, Gomes J, Bajdich M, Head-Gordon M, Bell AT.
PMID: 24196250
Phys Chem Chem Phys. 2013 Dec 21;15(47):20727-34. doi: 10.1039/c3cp53796j. Epub 2013 Nov 06.

The reaction pathways for the dehydrogenation of ethane, propane, and butane, over Pt are analyzed using density functional theory (DFT). Pt nanoparticles are represented by a tetrahedral Pt4 cluster. The objectives of this work were to establish which step...

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Hauser AW, Gomes J, Bajdich M, et al. Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes. Phys Chem Chem Phys. 2013;15(47):20727-34doi: 10.1039/c3cp53796j.
Hauser, A. W., Gomes, J., Bajdich, M., Head-Gordon, M., & Bell, A. T. (2013). Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes. Physical chemistry chemical physics : PCCP, 15(47), 20727-34. https://doi.org/10.1039/c3cp53796j
Hauser, Andreas W, et al. "Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes." Physical chemistry chemical physics : PCCP vol. 15,47 (2013): 20727-34. doi: https://doi.org/10.1039/c3cp53796j
Hauser AW, Gomes J, Bajdich M, Head-Gordon M, Bell AT. Subnanometer-sized Pt/Sn alloy cluster catalysts for the dehydrogenation of linear alkanes. Phys Chem Chem Phys. 2013 Dec 21;15(47):20727-34. doi: 10.1039/c3cp53796j. Epub 2013 Nov 06. PMID: 24196250.
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Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites.

Journal of chemical theory and computation

Zimmerman PM, Head-Gordon M, Bell AT.
PMID: 26596433
J Chem Theory Comput. 2011 Jun 14;7(6):1695-703. doi: 10.1021/ct2001655. Epub 2011 May 20.

Quantum mechanics/molecular mechanics (QM/MM) models are an appealing method for performing zeolite simulations. In QM/MM, a small cluster chosen to encompass the active center is described by QM, while the rest of the zeolite is described by MM. In...

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Zimmerman PM, Head-Gordon M, Bell AT. Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites. J Chem Theory Comput. 2011;7(6):1695-703doi: 10.1021/ct2001655.
Zimmerman, P. M., Head-Gordon, M., & Bell, A. T. (2011). Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites. Journal of chemical theory and computation, 7(6), 1695-703. https://doi.org/10.1021/ct2001655
Zimmerman, Paul M, et al. "Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites." Journal of chemical theory and computation vol. 7,6 (2011): 1695-703. doi: https://doi.org/10.1021/ct2001655
Zimmerman PM, Head-Gordon M, Bell AT. Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites. J Chem Theory Comput. 2011 Jun 14;7(6):1695-703. doi: 10.1021/ct2001655. Epub 2011 May 20. PMID: 26596433.
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Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and Applications.

Journal of chemical theory and computation

Behn A, Zimmerman PM, Bell AT, Head-Gordon M.
PMID: 26598348
J Chem Theory Comput. 2011 Dec 13;7(12):4019-25. doi: 10.1021/ct200654u. Epub 2011 Nov 29.

The growing string method is a powerful tool in the systematic study of chemical reactions with theoretical methods which allows for the rapid identification of transition states connecting known reactant and product structures. However, the efficiency of this method...

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Behn A, Zimmerman PM, Bell AT, et al. Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and Applications. J Chem Theory Comput. 2011;7(12):4019-25doi: 10.1021/ct200654u.
Behn, A., Zimmerman, P. M., Bell, A. T., & Head-Gordon, M. (2011). Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and Applications. Journal of chemical theory and computation, 7(12), 4019-25. https://doi.org/10.1021/ct200654u
Behn, Andrew, et al. "Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and Applications." Journal of chemical theory and computation vol. 7,12 (2011): 4019-25. doi: https://doi.org/10.1021/ct200654u
Behn A, Zimmerman PM, Bell AT, Head-Gordon M. Incorporating Linear Synchronous Transit Interpolation into the Growing String Method: Algorithm and Applications. J Chem Theory Comput. 2011 Dec 13;7(12):4019-25. doi: 10.1021/ct200654u. Epub 2011 Nov 29. PMID: 26598348.
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Effects of electrolyte, catalyst, and membrane composition and operating conditions on the performance of solar-driven electrochemical reduction of carbon dioxide.

Physical chemistry chemical physics : PCCP

Singh MR, Clark EL, Bell AT.
PMID: 26103939
Phys Chem Chem Phys. 2015 Jul 15;17(29):18924-36. doi: 10.1039/c5cp03283k.

Solar-driven electrochemical cells can be used to convert carbon dioxide, water, and sunlight into transportation fuels or into precursors to such fuels. The voltage efficiency of such devices depends on the (i) physical properties of its components (catalysts, electrolyte,...

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Singh MR, Clark EL, Bell AT. Effects of electrolyte, catalyst, and membrane composition and operating conditions on the performance of solar-driven electrochemical reduction of carbon dioxide. Phys Chem Chem Phys. 2015;17(29):18924-36doi: 10.1039/c5cp03283k.
Singh, M. R., Clark, E. L., & Bell, A. T. (2015). Effects of electrolyte, catalyst, and membrane composition and operating conditions on the performance of solar-driven electrochemical reduction of carbon dioxide. Physical chemistry chemical physics : PCCP, 17(29), 18924-36. https://doi.org/10.1039/c5cp03283k
Singh, Meenesh R, et al. "Effects of electrolyte, catalyst, and membrane composition and operating conditions on the performance of solar-driven electrochemical reduction of carbon dioxide." Physical chemistry chemical physics : PCCP vol. 17,29 (2015): 18924-36. doi: https://doi.org/10.1039/c5cp03283k
Singh MR, Clark EL, Bell AT. Effects of electrolyte, catalyst, and membrane composition and operating conditions on the performance of solar-driven electrochemical reduction of carbon dioxide. Phys Chem Chem Phys. 2015 Jul 15;17(29):18924-36. doi: 10.1039/c5cp03283k. PMID: 26103939.
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A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction.

Physical chemistry chemical physics : PCCP

Hauser AW, Horn PR, Head-Gordon M, Bell AT.
PMID: 27041143
Phys Chem Chem Phys. 2016 Apr 28;18(16):10906-17. doi: 10.1039/c6cp00360e.

Platinum-based bimetallic nanoparticles are analyzed by the application of density functional theory to a series of tetrahedral Pt3X cluster models, with element X taken from the P-block, preferably group 14, or from the D-block around group 10. Almost identical...

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Hauser AW, Horn PR, Head-Gordon M, et al. A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction. Phys Chem Chem Phys. 2016;18(16):10906-17doi: 10.1039/c6cp00360e.
Hauser, A. W., Horn, P. R., Head-Gordon, M., & Bell, A. T. (2016). A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction. Physical chemistry chemical physics : PCCP, 18(16), 10906-17. https://doi.org/10.1039/c6cp00360e
Hauser, Andreas W, et al. "A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction." Physical chemistry chemical physics : PCCP vol. 18,16 (2016): 10906-17. doi: https://doi.org/10.1039/c6cp00360e
Hauser AW, Horn PR, Head-Gordon M, Bell AT. A systematic study on Pt based, subnanometer-sized alloy cluster catalysts for alkane dehydrogenation: effects of intermetallic interaction. Phys Chem Chem Phys. 2016 Apr 28;18(16):10906-17. doi: 10.1039/c6cp00360e. PMID: 27041143.
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Synthesis, characterization, and catalytic performance of single-site iron(III) centers on the surface of SBA-15 silica.

Journal of the American Chemical Society

Nozaki C, Lugmair CG, Bell AT, Tilley TD.
PMID: 12405848
J Am Chem Soc. 2002 Nov 06;124(44):13194-203. doi: 10.1021/ja020388t.

A new molecular precursor strategy has been used to prepare a series of single-site catalysts that possess isolated iron centers supported on mesoporous SBA-15 silica. The iron centers were introduced via grafting reactions of the tris(tert-butoxy)siloxy iron(III) complex Fe[OSi(O(t)Bu)(3)](3)(THF)...

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Nozaki C, Lugmair CG, Bell AT, et al. Synthesis, characterization, and catalytic performance of single-site iron(III) centers on the surface of SBA-15 silica. J Am Chem Soc. 2002;124(44):13194-203doi: 10.1021/ja020388t.
Nozaki, C., Lugmair, C. G., Bell, A. T., & Tilley, T. D. (2002). Synthesis, characterization, and catalytic performance of single-site iron(III) centers on the surface of SBA-15 silica. Journal of the American Chemical Society, 124(44), 13194-203. https://doi.org/10.1021/ja020388t
Nozaki, Chika, et al. "Synthesis, characterization, and catalytic performance of single-site iron(III) centers on the surface of SBA-15 silica." Journal of the American Chemical Society vol. 124,44 (2002): 13194-203. doi: https://doi.org/10.1021/ja020388t
Nozaki C, Lugmair CG, Bell AT, Tilley TD. Synthesis, characterization, and catalytic performance of single-site iron(III) centers on the surface of SBA-15 silica. J Am Chem Soc. 2002 Nov 06;124(44):13194-203. doi: 10.1021/ja020388t. PMID: 12405848.
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In situ UV-visible assessment of extent of reduction during oxidation reactions on oxide catalysts.

Chemical communications (Cambridge, England)

Argyle MD, Chen K, Resini C, Krebs C, Bell AT, Iglesia E.
PMID: 12934922
Chem Commun (Camb). 2003 Aug 21;(16):2082-3. doi: 10.1039/b305264h.

The extent of reduction of active centers during oxidative alkane dehydrogenation on VOx/Al2O3 was measured from pre-edge UV-visible spectral features and found to increase with increasing VOx domain size and propane/O2 ratio.

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Argyle MD, Chen K, Resini C, et al. In situ UV-visible assessment of extent of reduction during oxidation reactions on oxide catalysts. Chem Commun (Camb). 2003;(16):2082-3doi: 10.1039/b305264h.
Argyle, M. D., Chen, K., Resini, C., Krebs, C., Bell, A. T., & Iglesia, E. (2003). In situ UV-visible assessment of extent of reduction during oxidation reactions on oxide catalysts. Chemical communications (Cambridge, England), (16), 2082-3. https://doi.org/10.1039/b305264h
Argyle, Morris D, et al. "In situ UV-visible assessment of extent of reduction during oxidation reactions on oxide catalysts." Chemical communications (Cambridge, England) vol. ,16 (2003): 2082-3. doi: https://doi.org/10.1039/b305264h
Argyle MD, Chen K, Resini C, Krebs C, Bell AT, Iglesia E. In situ UV-visible assessment of extent of reduction during oxidation reactions on oxide catalysts. Chem Commun (Camb). 2003 Aug 21;(16):2082-3. doi: 10.1039/b305264h. PMID: 12934922.
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Synthesis of mixed acid anhydrides from methane and carbon dioxide in acid solvents.

Organic letters

Zerella M, Mukhopadhyay S, Bell AT.
PMID: 12943385
Org Lett. 2003 Sep 04;5(18):3193-6. doi: 10.1021/ol0348856.

[reaction: see text] The reaction of CH(4) with CO(2) has been performed in anhydrous acids using VO(acac)(2) and K(2)S(2)O(8) as promoters. NMR analysis establishes that the primary product is a mixed anhydride of acetic acid and the acid solvent....

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Zerella M, Mukhopadhyay S, Bell AT. Synthesis of mixed acid anhydrides from methane and carbon dioxide in acid solvents. Org Lett. 2003;5(18):3193-6doi: 10.1021/ol0348856.
Zerella, M., Mukhopadhyay, S., & Bell, A. T. (2003). Synthesis of mixed acid anhydrides from methane and carbon dioxide in acid solvents. Organic letters, 5(18), 3193-6. https://doi.org/10.1021/ol0348856
Zerella, Mark, et al. "Synthesis of mixed acid anhydrides from methane and carbon dioxide in acid solvents." Organic letters vol. 5,18 (2003): 3193-6. doi: https://doi.org/10.1021/ol0348856
Zerella M, Mukhopadhyay S, Bell AT. Synthesis of mixed acid anhydrides from methane and carbon dioxide in acid solvents. Org Lett. 2003 Sep 04;5(18):3193-6. doi: 10.1021/ol0348856. PMID: 12943385.
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Showing 1 to 12 of 259 entries