Publications

Fast filter by year:

More filters

Results: 13

Ping-Yuan Lee, Barbara M. Maciejewska, Mathew J. Cross, Chloe M. van Beek, Claire N. Brodie, Athul S. Bhaskaran, George T. Tebbutt, Ryan M. Schofield, Samuel J. Page, Ed Darnbrough, Marcel Swart, Andrew S. Weller, Nicole Grobert
A straightforward route to hexagonal-boron nitride fibers
Adv Compos Hybrid Mater, 2025, 8, 392
DOI: 10.1007/s42114-025-01418-7
OpenAccess: Link
Keywords: Joint Exp-Comp, Nanomaterials, Spectroscopy

Roger Monreal-Corona, Lole Jurado, Hiroya Ishikawa, Martí Gimferrer, Albert Poater, Luis F. Bobadilla, M. Rosa Axet, Sergio Posada-Pérez
Computational and experimental insights into single-atom catalysts supported on g-C3N4: Unraveling the superior stability and catalytic activity of Rh in hydroformylation reactions
Applied Surface Science, 2025, 698, 163050-
DOI: 10.1016/j.apsusc.2025.163050
OpenAccess: Link
Keywords: Computational chemistry, Joint Exp-Comp, Nanomaterials, Predictive Chemistry, Reaction mechanisms

Zahra Noori, Miquel Solà, Clara Viñas, Francesc Teixidor, Jordi Poater
Unraveling aromaticity: the dual worlds of pyrazole, pyrazoline, and 3D carborane
Beilstein J. Org. Chem., 2025, 21, 412-420
DOI: 10.3762/bjoc.21.29
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Nanomaterials

Miquel Solà, Alvaro Muñoz-Castro
Aromaticity of All-Metal Clusters
Chem. Commun., 2025, 61, 14280-14291
DOI: 10.1039/D5CC03842A
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Nanomaterials

O. A. Stasyuk, C. Curutchet, A. J. Stasyuk
Mechanical Strain‐Controlled Aromaticity in Cyclo[n]Carbons
Chemistry A European J, 2025, 31, e01598
DOI: 10.1002/chem.202501598
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Nanomaterials

Lorena Capdevila, Judith Sala, Cristina Berga, Araceli de Aquino, Teodor Parella, Lluís Blancafort, Laura Rodríguez, Sílvia Simon, Xavi Ribas
Shortcut to Highly Fluorescent Perylene Derivatives: From Fluoranthene Fissure‐Coupling to Late‐Stage Aromatic Extension
ChemistryEurope, 2025, 3, e202500102
DOI: 10.1002/ceur.202500102
OpenAccess: Link
Keywords: Aromaticity, Nanomaterials, Reaction mechanisms

O. A. Stasyuk, G. George, C. Curutchet, F. Plasser, A. J. Stasyuk
The (Anti)aromatic Properties of Cyclo[n]Carbons: Myth or Reality?
J Comput Chem, 2025, 46, e70283
DOI: 10.1002/jcc.70283
OpenAccess: Link
Keywords: Aromaticity, Chemical bonding, Nanomaterials

Eoin M. O’Sullivan, Nicole Grobert, Marcel Swart
Density Functional Theory Investigation of 2D Phase Separated Graphene/Hexagonal Boron Nitride Monolayers; Band Gap, Band Edge Positions, and Photo Activity
J. Phys. Chem. C, 2025, 129, 638-647
DOI: 10.1021/acs.jpcc.4c06121
OpenAccess: Link
Keywords: Computational chemistry, Nanomaterials, Spectroscopy

Anna Vidal-López, Joan Gassó-Capdevila, Miquel Solà;, Albert Poater, Sergio Posada-Pérez
Hydrogen Evolution and Carbon Dioxide Reduction Pathways on Graphitic Carbon Nitride Decorated by Single Atoms of Transition Metals‡
J. Phys. Chem. C, 2025, 129, 8075-8085
DOI: 10.1021/acs.jpcc.4c08038
OpenAccess: –
Keywords: Computational chemistry, Nanomaterials, Reaction mechanisms, Sustainable Catalysis

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

Next

1 2


  

Author search:
You can use AND or OR (case sensitive), but not mixed.
Example: (author1 AND author2 AND authorN) or (author1 OR author2 OR authorN).

Search on publication title:

DOI:

Keyword:

Newer than (year included):

Older than (year included):