Nanoclusters & surface interactions

As electronic and mechanical devices downscale, minor atomic-level surface deviations from ideal configurations can profoundly disrupt material performance and functionality. Achieving precise, atomic level knowledge of surface-mounted single atoms and nanoclusters is essential to understand how their properties change under working conditions and how their electronic structure can be tuned to maximize their performance and durability. However, these systems are messy and often unpredictable. To probe and master the properties of metal nanoclusters on surfaces, we employ sophisticated computational modeling tools.

Selected Publications

Andrea Berti; Ramón M. Bergua; Jose M. Mercero; Deborah Perco; Paolo Lacovig; Silvano Lizzit; Elisa Jimenez-Izal; Alessandro Baraldi

Ultra-Low Atomic Diffusion Barrier on Two-Dimensional Materials: The Case of Pt on Epitaxial Graphene

ACS Nano, 2025 , 19 (40) , 35921-35932

DOI

BibTeX

@article{ultra-low-atomic-diffusion-barrier-on-two-dimensional-materials-the-case-of-pt-on-epitaxial-graphene,
  title = {Ultra-Low Atomic Diffusion Barrier on Two-Dimensional Materials: The Case of Pt on Epitaxial Graphene},
  author = {Andrea Berti and Ramón M. Bergua and Jose M. Mercero and Deborah Perco and Paolo Lacovig and Silvano Lizzit and Elisa Jimenez-Izal and Alessandro Baraldi},
  journal = {ACS Nano},
  year = {2025},
  volume = {19},
  number = {40},
  pages = {35921-35932},
  doi = {10.1021/acsnano.5c13305},
  url = {https://doi.org/10.1021/acsnano.5c13305},
}

Graphical abstract for Ultra-Low Atomic Diffusion Barrier on Two-Dimensional Materials: The Case of Pt on Epitaxial Graphene

Patricia Poths; Borna Zandkarimi; Anastassia N. Alexandrova; Elisa Jimenez‐Izal

Pt : Ge Ratio as a Lever of Activity and Selectivity Control of Supported PtGe Clusters in Thermal Dehydrogenation**

ChemCatChem, 2023 , 15 (6) , e202201533

DOI

BibTeX

@article{pt-ge-ratio-as-a-lever-of-activity-and-selectivity-control-of-supported-ptge-clusters-in-thermal-dehydrogenation,
  title = {Pt : Ge Ratio as a Lever of Activity and Selectivity Control of Supported PtGe Clusters in Thermal Dehydrogenation**},
  author = {Patricia Poths and Borna Zandkarimi and Anastassia N. Alexandrova and Elisa Jimenez‐Izal},
  journal = {ChemCatChem},
  year = {2023},
  volume = {15},
  number = {6},
  pages = {e202201533},
  doi = {10.1002/cctc.202201533},
  url = {https://doi.org/10.1002/cctc.202201533},
}