Carmen Sousa

12PUBLICATIONS
12CO-AUTHORS
Theory and design of materialsOptical properties of materialsCatalysis and mechanisms of reactionsFunctional materialsF-block chemistry
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Publications (12)

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

|Mar 10, 2026
Structural and electronic properties of MXene flakes: from edge effects to bandgap evolution.

Miquel Allés, Sergi Vela, Ángel Morales-García

|Mar 10, 2026
MXenes Surface Termination under Photoexcitation: Insights from Excited-State Pourbaix Diagrams.

Diego Ontiveros, Francesc Viñes, Carmen Sousa

|Aug 21, 2025
MXgap: A MXene Learning Tool for Bandgap Prediction.

Diego Ontiveros, Sergi Vela, Francesc Viñes

|Jul 04, 2025
The overlapping fragment approach for non-orthogonal configuration interaction with fragments.

C Sousa, X Dong, R Broer

|Jan 25, 2024
Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors.

Carmen Sousa, Paul S Bagus, Francesc Illas

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Frequent Collaborators

6 joint publications

Coen de Graaf

4 joint publications

Francesc Viñes

3 joint publications

Ria Broer

3 joint publications

Francesc Illas