Publications

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Results: 45

Cristina Castanyer, Çetin Çelik, Albert Artigas, Anna Roglans, Anna Pla Quintana, AntonJ Stasyuk, Yoko Yamakoshi, Miquel Solà
Enhancement of photoinduced reactive oxygen species generation in open-cage fullerenes
Chem. Sci., 2025, [], ASAP-
DOI: 10.1039/D4SC05428H
OpenAccess: Link
Keywords: Electron and energy transfer, Excited states, Joint Exp-Comp, Reaction mechanisms, Spin states

Gibu George, Artur Brotons-Rufes, Albert Poater, Miquel Solà, Sergio Posada-Pérez
Unlocking the limitations of layered LiNiO2: Insights from DFT simulations on its viability as a cathode material for aqueous Lithium-ion batteries
Journal of Power Sources, 2025, 625, 235650-
DOI: 10.1016/j.jpowsour.2024.235650
OpenAccess: Link
Keywords: Electron and energy transfer, Nanomaterials

Gibu George, Dmitry I. Sharapa, Anton J. Stasyuk, Albert Poater, Miquel Solà, Sergio Posada-Pérez
Surface engineering for enhanced perovskite solar cells: Fullerene-mediated trap state formation on CsPbI3 (001) surface
Solar Energy Materials and Solar Cells, 2025, 283, 113441-
DOI: 10.1016/j.solmat.2025.113441
OpenAccess: Link
Keywords: Electron and energy transfer, Non-covalent interactions, Photovoltaic materials

Shengwen Xu, Hongjian Zhang, Jingkai Xu, Weiqun Suo, Chang-Sheng Lu, Deshuang Tu, Xingwei Guo, Jordi Poater, Miquel Solà, Hong Yan
Photoinduced Selective B–H Activation ofnido -Carboranes
J. Am. Chem. Soc., 2024, 146, 7791-7802
DOI: 10.1021/jacs.4c00550
OpenAccess: –
Keywords: Aromaticity, Electron and energy transfer, Excited states, Joint Exp-Comp, Reaction mechanisms

O. A. Stasyuk, M. Solà, A. J. Stasyuk
Host–guest complexes of perylene bisimide-based metallacage and fullerenes for efficient photoinduced charge separation
J. Mater. Chem. C, 2024, 12, 685-695
DOI: 10.1039/D3TC03412G
OpenAccess: –
Keywords: Electron and energy transfer, Nanocages, Non-covalent interactions, Photovoltaic materials, Supramolecular chemistry

O. A. Stasyuk, A. J. Stasyuk, Miquel Solà, A. A. Voityuk
Photoinduced electron transfer in host–guest complexes of double nanohoops
J. Nanostruct Chem., 2024, 14, 293-306
DOI: 10.1007/s40097-022-00518-w
OpenAccess: Link
Keywords: Electron and energy transfer, Excited states, Fullerenes, Photovoltaic materials, Supramolecular chemistry

Jun Wang, Yuting Huang, Yajing Wang, Bo Durbeej, Lluís Blancafort
Investigating Excited States and Absorption Spectra of the Poly-cyclopenta-dithiophene-benzothiadiazole Oligomers (Poly-CPDTBT)—A Theoretical Study
Molecules, 2024, 29, 5348-
DOI: 10.3390/molecules29225348
OpenAccess: Link
Keywords: Computational chemistry, Electron and energy transfer, Excited states, Photovoltaic materials

Olga A. Stasyuk, Alexander A. Voityuk, Anton J. Stasyuk, Miquel Solà
Photoinduced Electron Transfer in Inclusion Complexes of Carbon Nanohoops
Acc. Chem. Res., 2023, 57, 37-46
DOI: 10.1021/acs.accounts.3c00488
OpenAccess: Link
Keywords: Aromaticity, Electron and energy transfer, Excited states, Photovoltaic materials, Supramolecular chemistry

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, 612, 155822-
DOI: 10.1016/j.apsusc.2022.155822
OpenAccess: –
Keywords: 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, 7, e202300452
DOI: 10.1002/batt.202300452
OpenAccess: Link
Keywords: Electron and energy transfer, Nanomaterials, Oxidation