Mercedes Boronat

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 23

Top Topics

Aqueous Solution

Metal Organic Framework

Molecular Dynamics

Top Venues

Physical chemistry chemical physics : PCCP

Nature communications

Journal of the American Chemical Society

Faraday discussions

This page only lists publications with an associated author ORCID identifier.

Publications

Mario Gallego, Avelino Corma, Mercedes Boronat
An alternative catalytic cycle for selective methane oxidation to methanol with Cu clusters in zeolites. Physical chemistry chemical physics : PCCP (2024)
Mario Gallego, Avelino Corma, Mercedes Boronat
An alternative catalytic cycle for selective methane oxidation to methanol with Cu clusters in zeolites. Physical chemistry chemical physics : PCCP 26 (7) (2024)
Pau Ferri, Chengeng Li, Daniel Schwalbe-Koda, Mingrou Xie, Manuel Moliner, Rafael Gomez-Bombarelli, Mercedes Boronat, Avelino Corma
Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others. Nature communications 14 (1) (2023)
Reisel Millán, Estefanía Bello-Jurado, Manuel Moliner, Mercedes Boronat, Rafael Gomez-Bombarelli
Effect of Framework Composition and NH 3 on the Diffusion of Cu + in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics. ACS central science 9 (11) (2023)
Pau Ferri, Chengeng Li, Daniel Schwalbe-Koda, Mingrou Xie, Manuel Moliner, Rafael Gomez-Bombarelli, Mercedes Boronat, Avelino Corma
Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others. Nature communications 14 (1) (2023)
Pau Ferri, Chengeng Li, Daniel Schwalbe-Koda, Mingrou Xie, Manuel Moliner, Rafael Gomez-Bombarelli, Mercedes Boronat, Avelino Corma
Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others. Nature communications 14 (1) (2023)
Mario Gallego, Avelino Corma, Mercedes Boronat
Influence of the zeolite support on the catalytic properties of confined metal clusters: a periodic DFT study of O 2 dissociation on Cu n clusters in CHA. Physical chemistry chemical physics : PCCP (2022)
Lichen Liu, Miguel Lopez Haro, Jose Antonio Perez-Omil, Mercedes Boronat, Jose J Calvino, Avelino Corma
Direct assessment of confinement effect in zeolite-encapsulated subnanometric metal species. Nature communications 13 (1) (2022)
Antonio Valverde-González, M Carmen Borrallo-Aniceto, Mercedes Pintado-Sierra, Félix Sánchez, Avelina Arnanz, Mercedes Boronat, Marta Iglesias
BINOL-Containing Chiral Porous Polymers as Platforms for Enantiorecognition. ACS applied materials & interfaces 14 (48) (2022)
Mario Gallego, Avelino Corma, Mercedes Boronat
Sub-nanometer Copper Clusters as Alternative Catalysts for the Selective Oxidation of Methane to Methanol with Molecular O 2 . The journal of physical chemistry. A 126 (30) (2022)
Estefanía Fernández, Mercedes Boronat, Avelino Corma
The 2D or 3D morphology of sub-nanometer Cu 5 and Cu 8 clusters changes the mechanism of CO oxidation. Physical chemistry chemical physics : PCCP 24 (7) (2022)
Sergio Rojas-Buzo, Benjamin Bohigues, Christian Wittee Lopes, Débora M Meira, Mercedes Boronat, Manuel Moliner, Avelino Corma
Tailoring Lewis/Brønsted acid properties of MOF nodes via hydrothermal and solvothermal synthesis: simple approach with exceptional catalytic implications. Chemical science 12 (29) (2021)
Estefanía Tiburcio, Rossella Greco, Marta Mon, Jordi Ballesteros-Soberanas, Jesús Ferrando-Soria, Miguel Lopez Haro, Juan Carlos Hernández-Garrido, Judit Oliver-Meseguer, Carlo Marini, Mercedes Boronat, Donatella Armentano, Antonio Leyva Pérez, Emilio Pardo
Soluble/MOF-Supported Palladium Single Atoms Catalyze the Ligand-, Additive-, and Solvent-Free Aerobic Oxidation of Benzyl Alcohols to Benzoic Acids. Journal of the American Chemical Society 143 (6) (2021)
Reisel Millán, Pieter Cnudde, Veronique Van Speybroeck, Mercedes Boronat
Mobility and Reactivity of Cu+ Species in Cu-CHA Catalysts under NH3-SCR-NOx Reaction Conditions: Insights from AIMD Simulations. JACS Au 1 (10) (2021)
Reisel Millán, Mercedes Boronat
Hydrogenation of substituted nitroaromatics on non-noble metal catalysts: mechanistic insights to improve selectivity. Faraday discussions 229 (2021)
Megha Anand, Andrew M Beale, Mercedes Boronat, M Bowker, Aram L Bugaev, Valerii I Bukhtiyarov, C Richard A Catlow, Sarayute Chansai, Michael Claeys, Matthew Conway, Philip R Davies, Jennifer Edwards, Joseph El-Kadi, Dmitry B Eremin, Nico Fischer, Shaoliang Guan, Justin S J Hargreaves, Christian Hess, Graham J Hutchings, Froze Jameel, Ali Reza Kamali, Simon Kondrat, Naomi Lawes, David Lennon, Diyuan Li, Patrick Morgan, Andrea M Oyarzún Aravena, Christian Reece, Romain Réocreux, Peter W Seavill, Yasushi Sekine, Mzamo L Shozi, Ian P Silverwood, Mikhail Sinev, Collin Smith, Michail Stamatakis, Laura Torrente Murciano, Deniz Uner, Bert M Weckhuysen, Keith Whiston, Moritz Wolf, Bo Yang, Constantinos D Zeinalipour-Yazdi
Advanced approaches: general discussion. Faraday discussions 229 (2021)
Chengeng Li, Pau Ferri, Cecilia Paris, Manuel Moliner, Mercedes Boronat, Avelino Corma
Design and Synthesis of the Active Site Environment in Zeolite Catalysts for Selectively Manipulating Mechanistic Pathways. Journal of the American Chemical Society 143 (28) (2021)
Aida Rodríguez-Fernández, John R Di Iorio, Cecilia Paris, Mercedes Boronat, Avelino Corma, Yuriy Roman-Leshkov, Manuel Moliner
Selective active site placement in Lewis acid zeolites and implications for catalysis of oxygenated compounds. Chemical science 11 (37) (2020)
Pau Ferri, Chengeng Li, Reisel Millán, Joaquín Martínez-Triguero, Manuel Moliner, Mercedes Boronat, Avelino Corma
Impact of Zeolite Framework Composition and Flexibility on Methanol-To-Olefins Selectivity: Confinement or Diffusion? Angewandte Chemie (International ed. in English) 59 (44) (2020)
Reisel Millán, Pieter Cnudde, Alexander E J Hoffman, Christian Wittee Lopes, Patricia Concepcion, Veronique Van Speybroeck, Mercedes Boronat
Theoretical and Spectroscopic Evidence of the Dynamic Nature of Copper Active Sites in Cu-CHA Catalysts under Selective Catalytic Reduction (NH3-SCR-NOx) Conditions. The journal of physical chemistry letters 11 (23) (2020)
Jianyu Wang, Pusheng Liu, Mercedes Boronat, Pau Ferri, Zhaoguo Xu, Peng Liu, Baojian Shen, Zhendong Wang, Jihong Yu
Organic-Free Synthesis of Zeolite Y with High Si/Al Ratios: Combined Strategy of In Situ Hydroxyl Radical Assistance and Post-Synthesis Treatment. Angewandte Chemie (International ed. in English) 59 (39) (2020)
Estefanía Fernández, Miguel A Rivero-Crespo, Irene Domínguez, Paula Rubio-Marqués, Judit Oliver-Meseguer, Lichen Liu, María Cabrero-Antonino, Rafael Gavara, Juan Carlos Hernández-Garrido, Mercedes Boronat, Antonio Leyva Pérez, Avelino Corma
Base-Controlled Heck, Suzuki, and Sonogashira Reactions Catalyzed by Ligand-Free Platinum or Palladium Single Atom and Sub-Nanometer Clusters. Journal of the American Chemical Society 141 (5) (2019)
Eva María Gallego, M Teresa Portilla, Cecilia Paris, Alejandro León-Escamilla, Mercedes Boronat, Manuel Moliner, Avelino Corma
"Ab initio" synthesis of zeolites for preestablished catalytic reactions. Science (New York, N.Y.) 355 (6329) (2017)