Results: 621
Reza Bazvand, Naeimeh Bahri-Laleh, Hossein Abedini, Mehdi Nekoomanesh, Albert Poater
Chemical dealcoholation of MgCl2 ·EtOH adduct by Al compounds and its effect on the performance of Ziegler–Natta catalysts
Applied Organom Chemis, 2023, [], ASAP-
DOI: 10.1002/aoc.7300Keywords: Chemical bonding, Computational chemistry, Nanomaterials, Sustainable Catalysis
Gibu George, Sergio Posada-Pérez, Albert Poater, Miquel Solà
Density Functional Investigation of the Interaction of H2O with Spinel Li1-xMn2O4 Surfaces: Implications for Aqueous Li-ion Batteries
Applied Surface Science, 2023, [], 155822-
DOI: 10.1016/j.apsusc.2022.155822Keywords: Chemical bonding, Density Functional Theory, Electron and energy transfer
Gibu George, Albert Poater, Miquel Solà, Sergio Posada-Pérez
Unveiling Oxygen Evolution Reaction on LiCoO2 Cathode: Insights for the Development of High‐Performance Aqueous Lithium‐ion Batteries
Batteries & Supercaps, 2023, [], ASAP-
DOI: 10.1002/batt.202300452Keywords: Electron and energy transfer, Nanomaterials, Oxidation
O. A. Stasyuk, A. A. Voityuk, Miquel Solà, A. J. Stasyuk
γ-graphynes with extended polyyne chains for efficient photoinduced electron transfer in complexes with fullerenes
Carbon, 2023, 215, 118460-
DOI: 10.1016/j.carbon.2023.118460Keywords: Electron and energy transfer, Excited states, Non-covalent interactions, Photovoltaic materials, Supramolecular chemistry
Lole Jurado, Jerome Esvan, Ligia A. Luque-Álvarez, Luis F. Bobadilla, José A. Odriozola, Sergio Posada-Pérez, Albert Poater, Aleix Comas-Vives, M. Rosa Axet
Highly dispersed Rh single atoms over graphitic carbon nitride as a robust catalyst for the hydroformylation reaction
Catal. Sci. Technol., 2023, 13, 1425-1436
DOI: 10.1039/d2cy02094gKeywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms
Sergio Posada-Pérez, Miquel Solà, Albert Poater
Carbon Dioxide Conversion on Supported Metal Nanoparticles: A Brief Review
Catalysts, 2023, 13, 305-
DOI: 10.3390/catal13020305Keywords: Catalysis, Computational chemistry, Organometallics, Reaction mechanisms, Sustainable Catalysis
Sergio Posada-Pérez, Jordi Poater, Naeimeh Bahri-Laleh, Albert Poater
Metallic–Organic Cages (MOCs) with Heterometallic Character: Flexibility-Enhancing MOFs
Catalysts, 2023, 13, 317-
DOI: 10.3390/catal13020317Keywords: Aromaticity, Computational chemistry, Nanocages, Non-covalent interactions, Supramolecular chemistry
Mostafa Ahmadi, Lucas Löser, Gerard Pareras, Albert Poater, Kay Saalwächter, Sebastian Seiffert
Connectivity Defects in Metallo-Supramolecular Polymer Networks at Different Self-Sorting Regimes
Chem. Mater., 2023, 35, 4026-4037
DOI: 10.1021/acs.chemmater.3c00360Keywords: Chemical bonding, Computational chemistry, Nanomaterials, Organometallics, Predictive Chemistry
Kevin Bevernaege, Nikolaos V. Tzouras, Albert Poater, Luigi Cavallo, Steven P. Nolan, Fady Nahra, Johan M. Winne
Site selective gold(
Chem. Sci., 2023, 14, 9787-9794
DOI: 10.1039/D3SC03683AKeywords: Chemical bonding, Computational chemistry, Homogeneous catalysis, Joint Exp-Comp, Organometallics
Anna Vidal-López, Sergio Posada-Pérez, Miquel Solà, Albert Poater
Au Single Metal Atom for Carbon Dioxide Reduction Reaction
Chemistry, 2023, 5, 1395-1406
DOI: 10.3390/chemistry5020095Keywords: Computational chemistry, Homogeneous catalysis, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis