Search Results - "Bare, Simon R."

Structural evolution of atomically dispersed Pt catalysts dictates reactivity by DeRita, Leo, Resasco, Joaquin, Dai, Sheng, Boubnov, Alexey, Thang, Ho Viet, Hoffman, Adam S., Ro, Insoo, Graham, George W., Bare, Simon R., Pacchioni, Gianfranco, Pan, Xiaoqing, Christopher, Phillip

“…The use of oxide-supported isolated Pt-group metal atoms as catalytic active sites is of interest due to their unique reactivity and efficient metal…”
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Low-Temperature Restructuring of CeO2‑Supported Ru Nanoparticles Determines Selectivity in CO2 Catalytic Reduction by Aitbekova, Aisulu, Wu, Liheng, Wrasman, Cody J, Boubnov, Alexey, Hoffman, Adam S, Goodman, Emmett D, Bare, Simon R, Cargnello, Matteo

“…CO2 reduction to higher value products is a promising way to produce fuels and key chemical building blocks while reducing CO2 emissions. The reaction at…”
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Directing reaction pathways via in situ control of active site geometries in PdAu single-atom alloy catalysts by Ouyang, Mengyao, Papanikolaou, Konstantinos G., Boubnov, Alexey, Hoffman, Adam S., Giannakakis, Georgios, Bare, Simon R., Stamatakis, Michail, Flytzani-Stephanopoulos, Maria, Sykes, E. Charles H.

“…The atomic scale structure of the active sites in heterogeneous catalysts is central to their reactivity and selectivity. Therefore, understanding active site…”
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Memory-dictated dynamics of single-atom Pt on CeO2 for CO oxidation by Zhang, Zihao, Tian, Jinshu, Lu, Yubing, Yang, Shize, Jiang, Dong, Huang, Weixin, Li, Yixiao, Hong, Jiyun, Hoffman, Adam S., Bare, Simon R., Engelhard, Mark H., Datye, Abhaya K., Wang, Yong

“…Single atoms of platinum group metals on CeO 2 represent a potential approach to lower precious metal requirements for automobile exhaust treatment catalysts…”
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Probing Atomic Distributions in Mono- and Bimetallic Nanoparticles by Supervised Machine Learning by Timoshenko, Janis, Wrasman, Cody J, Luneau, Mathilde, Shirman, Tanya, Cargnello, Matteo, Bare, Simon R, Aizenberg, Joanna, Friend, Cynthia M, Frenkel, Anatoly I

“…Properties of mono- and bimetallic metal nanoparticles (NPs) may depend strongly on their compositional, structural (or geometrical) attributes, and their…”
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Selective Methanol Carbonylation to Acetic Acid on Heterogeneous Atomically Dispersed ReO4/SiO2 Catalysts by Qi, Ji, Finzel, Jordan, Robatjazi, Hossein, Xu, Mingjie, Hoffman, Adam S, Bare, Simon R, Pan, Xiaoqing, Christopher, Phillip

“…Methanol carbonylation to acetic acid (AA) is a large-scale commodity chemical production process that requires homogeneous liquid-phase organometallic…”
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Dynamic Reorganization and Confinement of TiIV Active Sites Controls Olefin Epoxidation Catalysis on Two-Dimensional Zeotypes by Grosso-Giordano, Nicolás A, Hoffman, Adam S, Boubnov, Alexey, Small, David W, Bare, Simon R, Zones, Stacey I, Katz, Alexander

“…The effect of dynamic reorganization and confinement of isolated TiIV catalytic centers supported on silicates is investigated for olefin epoxidation. Active…”
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Engineering of Ruthenium–Iron Oxide Colloidal Heterostructures: Improved Yields in CO2 Hydrogenation to Hydrocarbons by Aitbekova, Aisulu, Goodman, Emmett D., Wu, Liheng, Boubnov, Alexey, Hoffman, Adam S., Genc, Arda, Cheng, Huikai, Casalena, Lee, Bare, Simon R., Cargnello, Matteo

“…Catalytic CO2 reduction to fuels and chemicals is a major pursuit in reducing greenhouse gas emissions. One approach utilizes the reverse water‐gas shift…”
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Uniform Pt/Pd Bimetallic Nanocrystals Demonstrate Platinum Effect on Palladium Methane Combustion Activity and Stability by Goodman, Emmett D, Dai, Sheng, Yang, An-Chih, Wrasman, Cody J, Gallo, Alessandro, Bare, Simon R, Hoffman, Adam S, Jaramillo, Thomas F, Graham, George W, Pan, Xiaoqing, Cargnello, Matteo

“…Bimetallic catalytic materials are in widespread use for numerous reactions, as the properties of a monometallic catalyst are often improved upon addition of a…”
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Operando high-pressure investigation of size-controlled CuZn catalysts for the methanol synthesis reaction by Divins, Núria J., Kordus, David, Timoshenko, Janis, Sinev, Ilya, Zegkinoglou, Ioannis, Bergmann, Arno, Chee, See Wee, Widrinna, Simon, Karslıoğlu, Osman, Mistry, Hemma, Lopez Luna, Mauricio, Zhong, Jian Qiang, Hoffman, Adam S., Boubnov, Alexey, Boscoboinik, J. Anibal, Heggen, Marc, Dunin-Borkowski, Rafal E., Bare, Simon R., Cuenya, Beatriz Roldan

“…Although Cu/ZnO-based catalysts have been long used for the hydrogenation of CO 2 to methanol, open questions still remain regarding the role and the dynamic…”
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Controlling catalytic activity and selectivity for partial hydrogenation by tuning the environment around active sites in iridium complexes bonded to supports by Babucci, Melike, Fang, Chia-Yu, Perez-Aguilar, Jorge E, Hoffman, Adam S, Boubnov, Alexey, Guan, Erjia, Bare, Simon R, Gates, Bruce C, Uzun, Alper

“…Single-site Ir(CO) complexes bonded to high-surface-area metal oxide supports, SiO , TiO , Fe O , CeO , MgO, and La O , were synthesized by chemisorption of…”
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Understanding Structure–Property Relationships of MoO3‑Promoted Rh Catalysts for Syngas Conversion to Alcohols by Asundi, Arun S, Hoffman, Adam S, Bothra, Pallavi, Boubnov, Alexey, Vila, Fernando D, Yang, Nuoya, Singh, Joseph A, Zeng, Li, Raiford, James A, Abild-Pedersen, Frank, Bare, Simon R, Bent, Stacey F

“…Rh-based catalysts have shown promise for the direct conversion of syngas to higher oxygenates. Although improvements in higher oxygenate yield have been…”
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CatMass : software for calculating optimal sample masses for X-ray absorption spectroscopy experiments involving complex sample compositions by Perez-Aguilar, Jorge E, Caine, Ash, Bare, Simon R, Hoffman, Adam S

“…This paper presents software for calculating the optimal mass of samples with complex compositions ( e.g. supported metal catalysts) for X-ray absorption…”
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Unlocking the Catalytic Potential of TiO2-Supported Pt Single Atoms for the Reverse Water-Gas Shift Reaction by Altering Their Chemical Environment by Chen, Linxiao, Unocic, Raymond R, Hoffman, Adam S, Hong, Jiyun, Braga, Adriano H, Bao, Zhenghong, Bare, Simon R, Szanyi, Janos

“…Single-atom catalysts (SACs) often exhibit dynamic responses to the reaction and pretreatment environment that affect their activity. The lack of understanding…”
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Pretreatment Effects on the Surface Chemistry of Small Oxygenates on Molybdenum Trioxide by Najmi, Sean, Rasmussen, Mathew, Innocenti, Giada, Chang, Chaoyi, Stavitski, Eli, Bare, Simon R, Medford, Andrew J, Medlin, J. Will, Sievers, Carsten

“…Understanding surface reactions of biomass-derived oxygenates on metal oxides is important for designing catalysts for valorization of biomass. This work…”
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Morphology-dependent zeolite intergrowth structures leading to distinct internal and outer-surface molecular diffusion barriers by Weckhuysen, Bert M, Karwacki, Lukasz, Kox, Marianne H. F, Matthijs de Winter, D. A, Drury, Martyn R, Meeldijk, Johannes D, Stavitski, Eli, Schmidt, Wolfgang, Mertens, Machteld, Cubillas, Pablo, John, Neena, Chan, Ally, Kahn, Norma, Bare, Simon R, Anderson, Michael, Kornatowski, Jan

“…Zeolites play a crucial part in acid–base heterogeneous catalysis. Fundamental insight into their internal architecture is of great importance for…”
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Fe Coordination Environment, Fe-Incorporated Ni(OH)2 Phase, and Metallic Core Are Key Structural Components to Active and Stable Nanoparticle Catalysts for the Oxygen Evolution Reaction by Acharya, Prashant, Manso, Ryan H, Hoffman, Adam S, Bakovic, Sergio I. Perez, Kékedy-Nagy, László, Bare, Simon R, Chen, Jingyi, Greenlee, Lauren F

“…Bimetallic iron–nickel oxide/hydroxide (FeNiO­(H) x ) nanocatalysts have emerged as nonprecious metal candidates for alkaline oxygen evolution reaction (OER)…”
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Expanding Beyond the Micropore: Active-Site Engineering in Hierarchical Architectures for Beckmann Rearrangement by Newland, Stephanie H, Sinkler, Wharton, Mezza, Thomas, Bare, Simon R, Carravetta, Marina, Haies, Ibraheem M, Levy, Alan, Keenan, Scott, Raja, Robert

“…The ability to engineer discrete solid-acid centers within hierarchically porous architectures that contain micropores with interconnected mesopores offers the…”
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Dynamic Surface Reconstruction Unifies the Electrocatalytic Oxygen Evolution Performance of Nonstoichiometric Mixed Metal Oxides by Samira, Samji, Hong, Jiyun, Camayang, John Carl A, Sun, Kai, Hoffman, Adam S, Bare, Simon R, Nikolla, Eranda

“…Compositionally versatile, nonstoichiometric, mixed ionic–electronic conducting metal oxides of the form A n+1B n O3n+1 (n = 1 → ∞; A =…”
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Experimental (XAS, STEM, TPR, and XPS) and Theoretical (DFT) Characterization of Supported Rhenium Catalysts by Bare, Simon R, Kelly, Shelly D, D.Vila, Fernando, Boldingh, Edwin, Karapetrova, E, Kas, Josh, Mickelson, George E, Modica, Frank S, Yang, Ning, Rehr, John J

“…A high surface area supported Re-based catalyst, fundamental to heterogeneous catalysis, is studied in the oxidic and reduced states using a combination of…”
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