A5026284290- Graphene research and applications
- 2D Materials and Applications
- Boron and Carbon Nanomaterials Research
- MXene and MAX Phase Materials
- Fullerene Chemistry and Applications
- Chemical and Physical Properties of Materials
- Surface and Thin Film Phenomena
- Advancements in Battery Materials
Federico Santa María Technical University
2023-2025
Manipulation of spontaneous polarization through sliding, stacking, and twisting in multilayer like hBN.
We show that a double-twisted ABC trilayer graphene, formed by stacking two trilayers with rotation angle between them, is semiconductor gap of about 30 meV. Importantly, flat bands in the electronic structure are observed even for large angles, and localization electrons follows same pattern as graphene. Our first-principles calculations this behavior holds at least angles from 7 to 21 degrees. further study charge redistribution function angle. Below degrees, escapes rotated layers AA...
MXenes are a family of two-dimensional materials that could be attractive for use as electrodes in lithium batteries due to their high specific capacity. For this purpose, it is necessary evaluate magnitudes such the adsorption energy and magnitude open-circuit voltage different concentrations. In paper, we show through first-principles calculations V 2 C monolayer, must consider correlation between electrons belonging vanadium obtain correct results these quantities. We include employing...
MXenes are a family of two-dimensional materials that could be attractive for use as electrodes in lithium batteries due to their high specific capacity. For this purpose, it is necessary evaluate magnitudes such the adsorption energy and magnitude open-circuit voltage different concentrations. In paper, we show through first principles calculations V$_2$C monolayer must consider correlation between electrons belonging vanadium obtain correct results these quantities. We include employing...