Azofra Mesa, Luis Miguel

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73 artículo
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Title Issue Date
Understanding the coupling of non-metallic heteroatoms to CO2 from a Conceptual DFT perspective Ferrer, Maxime; Elguero, José; Alkorta, Ibon; Azofra Mesa, Luis Miguel Issued date: 2024 DOI: 10.1007/s00894-024-05992-3 Source: Journal of Molecular Modeling [ISSN 1610-2940], v. 30 SJR: 0,332 - Q3 JCR: 2,2 - Q3 SCIE MIAR ICDS: 10,9 Artículo
A general strategy for the amination of electron-rich and electron-poor heteroaromatics by desaturative catalysis Corpas, Javier; Caldora, Henry P.; Di Tommaso, Ester Maria; Hernandez-Perez, Augusto César; Turner, Oliver, et al Issued date: 2024 DOI: 10.1038/s41929-024-01152-1 SJR: 13,315 - Q1 JCR: 37,8 - Q1 SCIE MIAR ICDS: 8,0 Artículo
In-situ FT-IR study of alcohols degradation in the gas phase using different TiO2 composites Illana, Andrea; Doña Rodríguez, José Miguel ; Robles, Alison; González Díaz, Oscar Manuel ; Pulido Melián, Elisenda , et al Issued date: 2024 DOI: 10.1016/j.cattod.2024.114603 Source: Catalysis Today [ISSN 0920-5861],v. 432, (Abril 2024) SJR: 1,022 - Q1 JCR: 5,3 - Q1 SCIE MIAR ICDS: 11,0 Artículo
Interfacial Engineering of MoxSy via Boron-Doping for Electrochemical N2-to-NH3 Conversion Alsabban, Merfat M.; Peramaiah, Karthik; Genovese, Alessandro; Ahmad, Rafia; Azofra, Luis Miguel , et al Issued date: 2024 DOI: 10.1002/adma.202405578 Source: Advanced Materials [ISSN 0935-9648] SJR: 9,191 - Q1 JCR: 29,4 - Q1 SCIE MIAR ICDS: 11,0 Artículo
Biomimetic photoexcited cobaloxime catalysis in organic synthesis Dam, Phong; Zuo, Kaiming; Azofra Mesa, Luis Miguel ; El-Sepelgy, Osama Issued date: 2024 DOI: 10.1002/anie.202405775 Source: Angewandte Chemie-International Edition [ISSN 1433-7851], (2024) SJR: 5,3 - Q1 JCR: 16,6 - Q1 SCIE MIAR ICDS: 10,9 Artículo
Photoexcited Cobalt Catalysed Endo-Selective Alkyl Heck Reaction Wang, Chenyang; Azofra Mesa, Luis Miguel ; Dam, Phong; Espinoza Suarez, Edelman J.; Do, Hieu Trung, et al Issued date: 2023 DOI: 10.1039/D2CC06967A Source: Chemical Communications [ISSN 1364-548X], 2023, Accepted Manuscript Artículo
Biomimetic Dehydroamination of Primary Amines Wang, Chenyang; Dam, Phong; Elghobashy, Mohamed; Brückner, Angelika; Rabeah, Jabor, et al Issued date: 2023 DOI: 10.1021/acscatal.3c04305 Source: ACS Catalysis [ISSN 2155-5435], v. 13, p. 14205-14212 SJR: 3,847 - Q1 JCR: 12,9 - Q1 SCIE MIAR ICDS: 10,5 Artículo
Highly active iron phosphide catalysts for selective electrochemical nitrate reduction to ammonia Chouki, Takwa; Machreki, Manel; Rutkowska, Iwona A.; Rytelewska, Beata; Kulesza, Pawel J., et al Issued date: 2023 DOI: 10.1016/j.jece.2023.109275 Source: Journal of Environmental Chemical Engineering [ISSN 2213-3437], v. 11 (2), 109275, (Abril 2023) SJR: 1,355 - Q1 JCR: 7,7 - Q1 ESCI MIAR ICDS: 10,4 Artículo
Sustainable Nitrogen Activation – Are We There Yet? MacFarlane, Doug; Simonov, Alexandr N; Vu, Th; Johnston, Sam; Azofra Mesa, Luis Miguel Issued date: 2023 DOI: 10.1039/D3FD00087G Source: Faraday Discussions [ISSN 1359-6640], 2023 SJR: 0,858 - Q1 JCR: 3,4 - Q3 SCIE MIAR ICDS: 11,0 Artículo
Nitrogen reduction reaction (NRR) modelling: A case that illustrates the challenges of DFT studies in electrocatalysis Azofra Mesa, Luis Miguel Issued date: 2022 DOI: 10.1016/j.coelec.2022.101073 Source: Current Opinion In Electrochemistry [ISSN 2451-9103], v. 35, 101073, (Octubre 2022) SJR: 1,854 - Q1 JCR: 8,5 - Q1 ESCI MIAR ICDS: 10,1 Artículo
Competition between metal-catalysed electroreduction of dinitrogen, protons, and nitrogen oxides: a DFT perspective Carro, Pilar; Choi, Jaecheol; MacFarlane, Douglas R.; Simonov, Alexandr N.; Doña Rodríguez, José Miguel , et al Issued date: 2022 DOI: 10.1039/D2CY00389A Source: Catalysis Science & Technology [ISSN 2044-4753], n. 9, p. 2856-2864 SJR: 1,183 - Q2 JCR: 5,0 - Q2 SCIE MIAR ICDS: 10,5 Artículo
A bifunctional catalyst based on a carbon quantum dots/mesoporous SrTiO3 heterostructure for cascade photoelectrochemical nitrogen reduction Hu, Yongming; Zhao, Zhi Liang; Ahmad, Rafia; Harb, Moussab; Cavallo, Luigi, et al Issued date: 2022 DOI: 10.1039/d2ta02187k Source: Journal of Materials Chemistry A [ISSN 2050-7488], n. 23, (Enero 2022) SJR: 3,156 - Q1 JCR: 11,9 - Q1 SCIE MIAR ICDS: 10,4 Artículo
Catalytic Desaturation of Aliphatic Amides and Imides Enabled by Excited-State Base-Metal Catalysis Wang, Chenyang; Azofra Mesa, Luis Miguel ; Dam, Phong; Sebek, Michael; Steinfeldt, Norbert, et al Issued date: 2022 DOI: 10.1021/acscatal.2c01723 Source: ACS Catalysis [EISSN 2155-5435], v. 12 (15), p. 8868-8876, (Agosto 2022) SJR: 4,195 - Q1 JCR: 12,9 - Q1 SCIE MIAR ICDS: 10,5 Artículo
Towards mild conditions by predictive catalysis via sterics in the Ru-catalyzed hydrogenation of thioesters Tomasini, Michele; Duran, Josep; Simon, Silvia; Azofra, Luis Miguel ; Poater, Albert Issued date: 2021 DOI: 10.1016/j.mcat.2021.111692 Source: Molecular Catalysis [ISSN 2468-8231], v. 510, 111692 (junio 2021) SJR: 0,789 - Q1 JCR: 5,089 - Q2 SCIE MIAR ICDS: 10,1 Artículo
Unraveling the Causes of the Instability of Au n(SR)x Nanoclusters on Au(111) Carro, Pilar; Azofra, Luis Miguel ; Albrecht, Tim; Salvarezza, Roberto C.; Pensa, Evangelina Issued date: 2021 DOI: 10.1021/acs.chemmater.1c00816 Source: Chemistry of Materials [ISSN 0897-4756], v. 33 (9), p. 3428–3435, (Abril 2021) SJR: 2,93 - Q1 JCR: 10,508 - Q1 SCIE MIAR ICDS: 11,0 Artículo
Need for Rationally Designed SnWO4 Photo(electro)catalysts to Overcome the Performance Limitations for O2 and H2 Evolution Reactions Azofra, Luis Miguel ; Cavallo, Luigi; Basset, Jean-Marie; Harb, Moussab Issued date: 2021 DOI: 10.1021/acs.jpcc.0c11614 Source: The Journal of Physical Chemistrt C [ISSN 1932-7447], v. 125(16), p. 8488–8496 SJR: 1,103 - Q1 JCR: 4,177 - Q2 SCIE MIAR ICDS: 10,6 Artículo
Role of Oxidized Mo Species on the Active Surface of Ni–Mo Electrocatalysts for Hydrogen Evolution under Alkaline Conditions Bau, Jeremy A.; Kozlov, Sergey M.; Azofra Mesa, Luis Miguel ; Ould-Chikh, Samy; Emwas, Abdul-Hamid, et al Issued date: 2020 DOI: 10.1021/acscatal.0c02743 Source: ACS Catalysis [EISSN 2155-5435], v 10 (21), p. 12858-12866, (Enero 2020) SJR: 4,898 - Q1 JCR: 13,084 - Q1 SCIE Artículo
Liquefied Sunshine: Transforming Renewables into Fertilizers and Energy Carriers with Electromaterials MacFarlane, Douglas R.; Choi, Jaecheol; Suryanto, Bryan H. R.; Jalili, Rouhollah; Chatti, Manjunath, et al Issued date: 2020 DOI: 10.1002/adma.201904804 Source: Advanced Materials [ISSN 0935-9648], vol. 32(18) SJR: 10,707 - Q1 JCR: 30,849 - Q1 SCIE Artículo
Shedding Light on the Interfacial Structure of Low-Coverage Alkanethiol Lattices Pensa, Evangelina; Azofra Mesa, Luis Miguel ; Albrecht, Tim; Salvarezza, Roberto C.; Carro, Pilar Issued date: 2020 DOI: 10.1021/acs.jpcc.0c07613 Source: Journal of Physical Chemistry C [ISSN 1932-7447], v.124 (49), p. 26748–26758 (Noviembre 2020) SJR: 1,401 - Q1 JCR: 4,126 - Q2 SCIE Artículo
Conversion of racemic alcohols to optically pure amine precursors enabled by catalyst dynamic kinetic resolution: experiment and computation Azofra Mesa, Luis Miguel ; Tran, Mai Anh; Zubar, Viktoriia; Cavallo, Luigi; Rueping, Magnus, et al Issued date: 2020 DOI: 10.1039/d0cc02881a Source: Chemical communications [EISSN 1364-548X],v. 56 (64), p. 9094-9097, (Agosto 2020) SJR: 1,837 - Q1 JCR: 6,222 - Q1 SCIE Artículo