Search Results - "LOW, John J"

Virtual High Throughput Screening Confirmed Experimentally: Porous Coordination Polymer Hydration by Low, John J, Benin, Annabelle I, Jakubczak, Paulina, Abrahamian, Jennifer F, Faheem, Syed A, Willis, Richard R

“…Hydrothermal stability is a pertinent issue to address for many industrial applications where percent levels of water can be present at temperatures ranging…”
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Screening of Metal−Organic Frameworks for Carbon Dioxide Capture from Flue Gas Using a Combined Experimental and Modeling Approach by Yazaydın, A. Özgür, Snurr, Randall Q, Park, Tae-Hong, Koh, Kyoungmoo, Liu, Jian, LeVan, M. Douglas, Benin, Annabelle I, Jakubczak, Paulina, Lanuza, Mary, Galloway, Douglas B, Low, John J, Willis, Richard R

“…A diverse collection of 14 metal−organic frameworks (MOFs) was screened for CO2 capture from flue gas using a combined experimental and modeling approach…”
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Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks by Walton, Krista S, Millward, Andrew R, Dubbeldam, David, Frost, Houston, Low, John J, Yaghi, Omar M, Snurr, Randall Q

“…Adsorption isotherms for CO2 in IRMOF-1 exhibit inflections that grow into pronounced steps at lower temperatures. The isotherm shapes can be predicted by…”
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The Structure of Liquid and Amorphous Hafnia by Gallington, Leighanne C, Ghadar, Yasaman, Skinner, Lawrie B, Weber, J K Richard, Ushakov, Sergey V, Navrotsky, Alexandra, Vazquez-Mayagoitia, Alvaro, Neuefeind, Joerg C, Stan, Marius, Low, John J, Benmore, Chris J

“…Understanding the atomic structure of amorphous solids is important in predicting and tuning their macroscopic behavior. Here, we use a combination of…”
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Self-Catalyzing Hydrogen-Storage Material by Yang, Jun, Sudik, Andrea, Siegel, Donald J, Halliday, Devin, Drews, Andrew, Carter, Roscoe O. III, Wolverton, Christopher, Lewis, Gregory J, Sachtler, J.W. Adriaan, Low, John J, Faheem, Syed A, Lesch, David A, Ozolinš, Vidvuds

“…Greater than the sum of its parts: Hydrogen storage in complex hydrides is accelerated by using the ternary composite 2 LiNH2/LiBH4/MgH2, which exhibits a…”
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On Proton Defects and the Phase Transformation of NiO2 by Low, John J., Iddir, Hakim, Garcia, Juan C.

“…One approach to high-capacity Li-ion battery cathodes is to increase the Ni content. Unfortunately, Ni-rich materials undergo a phase transition and volume…”
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Thermodynamics of monoclinic and tetragonal hafnium dioxide (HfO2) at ambient pressure by Low, John J., Paulson, Noah H., D'Mello, Michael, Stan, Marius

“…Accurate and precise thermodynamic models of oxide compounds and their phases are important for calculating the phase stability of oxide materials. We develop…”
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Enhanced CO2 Adsorption in Metal-Organic Frameworks via Occupation of Open-Metal Sites by Coordinated Water Molecules by Yazaydın, A. Özgür, Benin, Annabelle I., Faheem, Syed A., Jakubczak, Paulina, Low, John J., Willis, Richard R., Snurr, Randall Q.

“…CO2 is one of the most important greenhouse gases and its removal from flue gas and natural gas has become increasingly important. We report an interesting…”
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Glucose and fructose to platform chemicals: understanding the thermodynamic landscapes of acid-catalysed reactions using high-level ab initio methods by Assary, Rajeev S, Kim, Taejin, Low, John J, Greeley, Jeff, Curtiss, Larry A

“…Molecular level understanding of acid-catalysed conversion of sugar molecules to platform chemicals such as hydroxy-methyl furfural (HMF), furfuryl alcohol…”
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Sorbate Transport in Carbon Molecular Sieve Membranes and FAU/EMT Intergrowth by Diffusion NMR by Mueller, Robert, Kanungo, Rohit, Menjoge, Amrish, Kiyono-Shimobe, Mayumi, Koros, William J, Bradley, Steven A, Galloway, Douglas B, Low, John J, Prabhakar, Sesh, Vasenkov, Sergey

“…In this paper we present and discuss selected results of our recent studies of sorbate self-diffusion in microporous materials. The main focus is given to…”
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Uniform Catalytic Site in Sn-β-Zeolite Determined Using X-ray Absorption Fine Structure by Bare, Simon R, Kelly, Shelly D, Sinkler, Wharton, Low, John J, Modica, Frank S, Valencia, Susana, Corma, Avelino, Nemeth, Laszlo T

“…The Sn silicate zeolite, Sn-β, has been shown to be an efficient, selective heterogeneous catalyst for Baeyer−Villiger oxidations. Using primarily a multishell…”
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Density functional theory study of the effect of subsurface H, C, and Ag on C₂H₂ hydrogenation on Pd(111) by Tiruppathi, Pavithra, Low, John J, Chan, Ally S.Y, Bare, Simon R, Meyer, Randall. J

“…The selective hydrogenation of acetylene in the presence of ethylene over Pd catalysts (generally modified with silver) is of critical importance to prevent…”
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Observation of intraparticle transport barriers in FAU/EMT intergrowth by pulsed field gradient NMR by Menjoge, Amrish, Bradley, Steven A., Galloway, Douglas B., Low, John J., Prabhakar, Sesh, Vasenkov, Sergey

“…Pulsed field gradient (PFG) NMR technique with high (up to 30 T/m) gradient amplitudes was employed to study diffusion of isooctane and isobutane in a FAU/EMT…”
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Hydrogen storage properties of 2LiNH2+LiBH4+MgH2 by Yang, Jun, Sudik, Andrea, Siegel, Donald J., Halliday, Devin, Drews, Andy, Carter, Roscoe O., Wolverton, Christopher, Lewis, Gregory J., Sachtler, J.W.A., Low, John J., Faheem, Syed A., Lesch, David A., Ozolins, Vidvuds

“…We have investigated the ternary mixture of complex hydrides with stoichiometry 2LiNH2+LiBH4+MgH2, and have identified a set of novel hydrogen storage…”
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Molecular modeling of binary liquid-phase adsorption of aromatics in silicalite by Chempath, Shaji, Snurr, Randall Q., Low, John J.

“…Adsorption in the zeolite silicalite from binary liquid mixtures of p‐xylene, m‐xylene, and toluene was investigated using grand canonical Monte Carlo (GCMC)…”
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On Proton Defects and the Phase Transformation of NiO 2 by Low, John J., Iddir, Hakim, Garcia, Juan C.

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Enhanced CO 2 Adsorption in Metal-Organic Frameworks via Occupation of Open-Metal Sites by Coordinated Water Molecules by Yazaydın, A. Özgür, Benin, Annabelle I., Faheem, Syed A., Jakubczak, Paulina, Low, John J., Willis, Richard R., Snurr, Randall Q.

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Thermodynamics of monoclinic and tetragonal hafnium dioxide (HfO2) at ambient pressure by Low, John J., Paulson, Noah H., D'Mello, Michael, Stan, Marius

“…Accurate and precise thermodynamic models of oxide compounds and their phases are important for calculating the phase stability of oxide materials. We develop…”
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Theoretical studies of oxidative addition and reductive elimination. 3. Carbon-hydrogen and carbon-carbon reductive coupling from palladium and platinum bis(phosphine) complexes by Low, John J, Goddard, William A

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Theoretical studies of oxidative addition and reductive elimination. 2. Reductive coupling of hydrogen-hydrogen, hydrogen-carbon, and carbon-carbon bonds from palladium and platinum complexes by Low, John J, Goddard, William A

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