Francesc Illas

86PUBLICATIONS
111CO-AUTHORS
Theory and design of materialsNanomaterialsMetal organic frameworksComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Main group metal chemistry
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Publications (86)

|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.

|Jan 12, 2026
Computational insights into the structural and electronic properties of first-row transition metal-doped In2O3 systems.

Ling Meng, Francesc Viñes, Francesc Illas

|Dec 24, 2025
Selective Hydrodemethylation of Methylalkylbenzenes on Potassium Hydride.

Puyang Tian, Marc Figueras-Valls, Fei Chang

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Frequent Collaborators

42 joint publications

Francesc Viñes

27 joint publications

Ángel Morales-García

11 joint publications

Stefan T Bromley

6 joint publications

Néstor García-Romeral