- -

Listar por autor "Schwalbe-Koda, Daniel"

RiuNet: Repositorio Institucional de la Universidad Politécnica de Valencia

Listar por autor "Schwalbe-Koda, Daniel"

Ordenar por:Orden:Resultados:

  • thumb
    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 ...
  • thumb
    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 ...
  • thumb
    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 ...
  • thumb
    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 ...
  • thumb
    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 ...