Interfacial Engineering of Mo x S y via Boron-Doping for Electrochemical N 2 -to-NH 3 Conversion.

Autor: Alsabban MM; Department of Chemistry, University of Jeddah, Jeddah, 21959, Kingdom of Saudi Arabia., Peramaiah K; Chemistry Program, Center for Renewable Energy and Storage Technologies (CREST) and, Division of Physical Sciences and Engineering and KAUST Catalysis Center, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Kingdom of Saudi Arabia.; Institute of Sustainability for Chemicals, Energy, and Environment (ISCE2), Agency for Science, Technology and Research (A*STAR), 1 Pesek Road, Singapore, 627833, Singapore., Genovese A; Core Labs, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Kingdom of Saudi Arabia., Ahmad R; Chemistry Program, Center for Renewable Energy and Storage Technologies (CREST) and, Division of Physical Sciences and Engineering and KAUST Catalysis Center, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Kingdom of Saudi Arabia., Azofra LM; Instituto de Estudios Ambientales y Recursos Naturales (iUNAT), Universidad de Las Palmas de Gran Canaria (ULPGC), Campus de Tafira, Las Palmas de Gran Canaria, 35017, Spain., Ramalingam V; Chemistry Program, Center for Renewable Energy and Storage Technologies (CREST) and, Division of Physical Sciences and Engineering and KAUST Catalysis Center, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Kingdom of Saudi Arabia.; School of Computing, Engineering and Technology, Robert Gordon University, Garthdee Road, Aberdeen, Scotland, AB10 7GJ, United Kingdom., Hedhili MN; Core Labs, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Kingdom of Saudi Arabia., Wehbe N; Core Labs, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Kingdom of Saudi Arabia., Cavallo L; Chemistry Program, Center for Renewable Energy and Storage Technologies (CREST) and, Division of Physical Sciences and Engineering and KAUST Catalysis Center, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Kingdom of Saudi Arabia., Huang KW; Chemistry Program, Center for Renewable Energy and Storage Technologies (CREST) and, Division of Physical Sciences and Engineering and KAUST Catalysis Center, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Kingdom of Saudi Arabia.; Institute of Sustainability for Chemicals, Energy, and Environment (ISCE2), Agency for Science, Technology and Research (A*STAR), 1 Pesek Road, Singapore, 627833, Singapore.

Publikováno v: Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2024 Nov 04, pp. e2405578. Date of Electronic Publication: 2024 Nov 04.

Understanding the coupling of non-metallic heteroatoms to CO 2 from a Conceptual DFT perspective.

Autor: Ferrer M; Instituto de Química Médica, CSIC, Juan de La Cierva,3, 28006, Madrid, Spain.; PhD Program in Theoretical Chemistry and Computational Modelling, Doctoral School, Universidad Autónoma de Madrid, 28049, Madrid, Spain., Elguero J; Instituto de Química Médica, CSIC, Juan de La Cierva,3, 28006, Madrid, Spain., Alkorta I; Instituto de Química Médica, CSIC, Juan de La Cierva,3, 28006, Madrid, Spain. ibon@iqm.csic.es., Azofra LM; Instituto de Estudios Ambientales y Recursos Naturales (iUNAT), Universidad de Las Palmas de Gran Canaria (ULPGC), Campus de Tafira, 35017, Las Palmas de Gran Canaria, Spain. luismiguel.azofra@ulpgc.es.

Publikováno v: Journal of molecular modeling [J Mol Model] 2024 Jun 10; Vol. 30 (7), pp. 201. Date of Electronic Publication: 2024 Jun 10.

Photoexcited cobalt catalysed endo -selective alkyl Heck reaction.

Autor: Wang C; Leibniz Institute for Catalysis e.V., Albert-Einstein-Str. 29a, Rostock 18059, Germany. Osama.Elsepelgy@Catalysis.de., Azofra LM; Instituto de Estudios Ambientales y Recursos Naturales (i-UNAT), Universidad de Las Palmas de Gran Canaria (ULPGC), Campus de Tafira, Las Palmas de Gran Canaria 35017, Spain., Dam P; Leibniz Institute for Catalysis e.V., Albert-Einstein-Str. 29a, Rostock 18059, Germany. Osama.Elsepelgy@Catalysis.de., Espinoza-Suarez EJ; Leibniz Institute for Catalysis e.V., Albert-Einstein-Str. 29a, Rostock 18059, Germany. Osama.Elsepelgy@Catalysis.de., Do HT; Leibniz Institute for Catalysis e.V., Albert-Einstein-Str. 29a, Rostock 18059, Germany. Osama.Elsepelgy@Catalysis.de., Rabeah J; Leibniz Institute for Catalysis e.V., Albert-Einstein-Str. 29a, Rostock 18059, Germany. Osama.Elsepelgy@Catalysis.de., Brückner A; Leibniz Institute for Catalysis e.V., Albert-Einstein-Str. 29a, Rostock 18059, Germany. Osama.Elsepelgy@Catalysis.de., El-Sepelgy O; Leibniz Institute for Catalysis e.V., Albert-Einstein-Str. 29a, Rostock 18059, Germany. Osama.Elsepelgy@Catalysis.de.

Publikováno v: Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2023 Mar 28; Vol. 59 (26), pp. 3862-3865. Date of Electronic Publication: 2023 Mar 28.

In silico design of novel NRR electrocatalysts: cobalt-molybdenum alloys.

Autor: Castellano-Varona B; Instituto de Estudios Ambientales y Recursos Naturales (i-UNAT), Universidad de Las Palmas de Gran Canaria (ULPGC), Campus de Tafira, 35017, Las Palmas de Gran Canaria, Spain. luismiguel.azofra@ulpgc.es., Harb M, Araña J, Cavallo L, Azofra LM

Publikováno v: Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2020 Nov 11; Vol. 56 (87), pp. 13343-13346. Date of Electronic Publication: 2020 Oct 07.

Manganese-Catalyzed Regioselective Dehydrogenative C- versus N-Alkylation Enabled by a Solvent Switch: Experiment and Computation.

Autor: Borghs JC; Institute of Organic Chemistry, RWTH Aachen University, Landoltweg 1, 52074 Aachen, Germany., Zubar V; Institute of Organic Chemistry, RWTH Aachen University, Landoltweg 1, 52074 Aachen, Germany.; KAUST Catalysis Center (KCC), KAUST, Thuwal 23955-6900, Saudi Arabia., Azofra LM; CIDIA-FEAM (Unidad Asociada al Consejo Superior de Investigaciones Científicas, CSIC, avalada por el Instituto de Ciencia de Materiales de Sevilla, Universidad de Sevilla), Instituto de Estudios Ambientales y Recursos Naturales (i-UNAT), Universidad de Las Palmas de Gran Canaria (ULPGC), Campus de Tafira, 35017 Las Palmas de Gran Canaria, Spain., Sklyaruk J; Institute of Organic Chemistry, RWTH Aachen University, Landoltweg 1, 52074 Aachen, Germany., Rueping M; Institute of Organic Chemistry, RWTH Aachen University, Landoltweg 1, 52074 Aachen, Germany.; KAUST Catalysis Center (KCC), KAUST, Thuwal 23955-6900, Saudi Arabia.

Publikováno v: Organic letters [Org Lett] 2020 Jun 05; Vol. 22 (11), pp. 4222-4227. Date of Electronic Publication: 2020 May 13.