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Listar por autor "Román-Leshkov, Yuriy"

Mostrando ítems 1-10 de 10

"One-pot" synthesis of 5-(Hydroxymethyl)furfural from carbohydrates using tin-Beta zeolite

Nikolla, Eranda; Román-Leshkov, Yuriy; Moliner Marin, Manuel; Davis, Mark E. (American Chemical Society, 2011)

[EN] Conversion of carbohydrates to 5-(hydroxymethyl)furfural (HMF) may provide a step forward toward achieving a renewable biomass-based chemicals and fuels platform. Recently, we reported that a tin-containing, high-silica ...
A Machine Learning Approach to Zeolite Synthesis Enabled by Automatic Literature Data Extraction

Jensen, Zach; Kim, Edward; Kwon, Soonhyoung; Gani, Terry Z.H.; Román-Leshkov, Yuriy; Moliner Marin, Manuel; Corma Canós, Avelino; Olivetti, Elsa (American Chemical Society, 2019-05-22)

[EN] Zeolites are porous, aluminosilicate materials with many industrial and "green" applications. Despite their industrial relevance, many aspects of zeolite synthesis remain poorly understood requiring costly trial and ...
A priori control of zeolite phase competition and intergrowth with high-throughput simulations

Schwalbe-Koda, Daniel; Kwon, Soonhyoung; Paris, Cecilia; Bello-Jurado, Estefanía; Jensen, Zach; Olivetti, Elsa; Willhammar, Tom; Corma Canós, Avelino; Román-Leshkov, Yuriy; Moliner Marin, Manuel; Gomez-Bombarelli, Rafael (American Association for the Advancement of Science (AAAS), 2021-10-15)

[EN] Zeolites are versatile catalysts and molecular sieves with large topological diversity, but managing phase competition in zeolite synthesis is an empirical, labor-intensive task. In this work, we controlled phase ...
Data-Driven Design of Biselective Templates for Intergrowth Zeolites

Schwalbe-Koda, Daniel; Corma Canós, Avelino; Román-Leshkov, Yuriy; Moliner Marin, Manuel; Gomez-Bombarelli, Rafael (American Chemical Society, 2021-11-04)

[EN] Zeolites are inorganic materials with wide industrial applications due to their topological diversity. Tailoring confinement effects in zeolite pores, for instance by crystallizing intergrown frameworks, can improve ...
Discovering Relationships between OSDAs and Zeolites through Data Mining and Generative Neural Networks

Jensen, Zach; Kwon, Soonhyoung; Schwalbe-Koda, Daniel; Paris, Cecilia; Gómez-Bombarelli, Rafael; Román-Leshkov, Yuriy; Corma Canós, Avelino; Moliner Marin, Manuel; Olivetti, Elsa A. (American Chemical Society, 2021-05-26)

[EN] Organic structure directing agents (OSDAs) play a crucial role in the synthesis of micro- and mesoporous materials especially in the case of zeolites. Despite the wide use of OSDAs, their interaction with zeolite ...
Ge-Based Hybrid Composites from Ge-Rich Zeolites as Highly Conductive and Stable Electronic Materials

Rodríguez-Fernández, Aida; Atienzar Corvillo, Pedro Enrique; Martínez, Cristina; Román-Leshkov, Yuriy; Moliner Marin, Manuel (American Chemical Society, 2019-09-24)

[EN] Ge-containing zeolites were used as precursors for the synthesis of highly conductive and stable hybrid electronic materials by postsynthetic thermal treatment of the crystals in the presence of an olefin. Treating ...
Machine Learning Applied to Zeolite Synthesis: The Missing Link for Realizing High-Throughput Discovery

Moliner Marin, Manuel; Román-Leshkov, Yuriy; Corma Canós, Avelino (American Chemical Society, 2019-10-15)

[EN] CONSPECTUS: Zeolites are microporous crystalline materials with well-defined cavities and pores, which can be prepared under different pore topologies and chemical compositions. Their preparation is typically defined ...
Repurposing Templates for Zeolite Synthesis from Simulations and Data Mining

Schwalbe-Koda, Daniel; Santiago-Reyes, Omar A.; Corma Canós, Avelino; Román-Leshkov, Yuriy; Moliner Marin, Manuel; Gomez-Bombarelli, Rafael (American Chemical Society, 2022-06-28)

[EN] Zeolites span a large variety of microporous crystal structures, making them useful materials for catalysis and separations. However, controlling phase competition in their synthesis often requires organic structure-directing ...
Selective active site placement in Lewis acid zeolites and implications for catalysis of oxygenated compounds

Rodríguez-Fernández, Aida; Di Iorio, John R.; Paris, Cecilia; Boronat Zaragoza, Mercedes; Corma Canós, Avelino; Román-Leshkov, Yuriy; Moliner Marin, Manuel (The Royal Society of Chemistry, 2020-10-07)

[EN] The selective incorporation of isolated framework Lewis acid sites at specific crystallographic positions in high-silica zeolites was achieved by applying a rationalized post-synthetic grafting methodology. The removal ...
Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure-Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

Bello-Jurado, Estefanía; Schwalbe-Koda, Daniel; Nero, Mathias; Paris, Cecilia; Uusimäki, Toni; Román-Leshkov, Yuriy; Corma Canós, Avelino; Willhammar, Tom; Gómez-Bombarelli, Rafael; Moliner Marin, Manuel (John Wiley & Sons, 2022-07-11)

[EN] A novel ab initio methodology based on high-throughput simulations has permitted designing unique biselective organic structure-directing agents (OSDAs) that allow the efficient synthesis of CHA/AEI zeolite intergrowth ...