Francesc Illas

88PUBLICATIONS
116CO-AUTHORS
Main group metal chemistryTheory and design of materialsNanomaterialsMetal organic frameworksComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (88)

|Nov 10, 2026
Structural and electronic analysis of β-Mo2C doped with transition metals based on electronic structure calculations.

|Sep 30, 2026
Performance of molybdenum carbide MXenes for pollutant abatement and sensing.

|Aug 25, 2026
Disclosing Trends on C(1s) Core-Level Binding Energies of MXene Flakes: Metal, Size and Edge Effects.

|Aug 11, 2026
When size determines crystal structure: crossover between cubic and hexagonal structures of molybdenum carbide nanoparticles.

|Jul 28, 2026
Ligand-Controlled Valley and Spin Properties in Ni-Based Two-Dimensional Metal-Organic Frameworks.

|Jun 30, 2026
Thermally Activated Fluxionality Accelerates Nonradiative Decay in Titania Nanoclusters.

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Frequent Collaborators

43 joint publications

Francesc Viñes

29 joint publications

Ángel Morales-García

11 joint publications

Stefan T Bromley

6 joint publications

Néstor García-Romeral