Carlos Ra&uacutel

Carlos Raúl

Physics university student, mathematical-computational modeling.

Publications

Selective HER Activation of Monolayer CrCl3 by Transition-Metal Functionalization

Published in Submitted to Computational Materials Science, 2026

This research uses Density Functional Theory (DFT) calculations to explore how transition-metal functionalization (Co, Fe, Ni) selectively activates CrCl3 monolayers for the Hydrogen Evolution Reaction (HER).

Recommended citation: GOMEZ QUISPE, J. R., PRIMO SAPILLADO, C. R., MEDINA, M., ROJAS-AYALA, C., & AUTRETO, P. A. S. (2026). Selective HER Activation of Monolayer $\text{CrCl}_3$ by Transition-Metal Functionalization. Submitted to Computational Materials Science.

Potential Models in Vibro-Rotational Spectroscopy: From Harmonic Oscillator to Morse Potential

Published in Open Schools Journal for Open Science, 2025

This paper analyzes the mathematical modeling of potential energy curves in diatomic molecules, comparing the Harmonic Oscillator and Morse Potential models in vibro-rotational spectroscopy.

Recommended citation: PRIMO SAPILLADO, C. R. (2025). Modelos de Potencial em Espectroscopia Vibra-Rotacional: Do Oscilador Harmônico ao Potencial de Morse. Open Schools Journal for Open Science, Vol. 8. DOI: 10.5281/zenodo.15841484. https://doi.org/10.5281/zenodo.15841484

Properties and Synthesis of Nanocomposites Reinforced with Carbon Nanotubes: Approaches and Applications

Published in Open Schools Journal for Open Science, 2024

A review of current techniques and methodologies for synthesizing nanocomposites reinforced with single-walled and multi-walled carbon nanotubes.

Recommended citation: PRIMO SAPILLADO, C. R. (2024). Propiedades y Síntesis de Nanocompuestos Reforzados con Nanotubos de Carbono: Enfoques y Aplicaciones. Open Schools Journal for Open Science, Vol. 7.

A Comprehensive Review of Single-Walled Carbon Nanotube Simulations via Molecular Dynamics

Published in Open Schools Journal for Open Science / Preprint Archive, 2023

This work reviews classical molecular dynamics simulations for single-walled carbon nanotubes, focusing on their thermal conductivity, mechanical strength, and phase behavior.

Recommended citation: PRIMO SAPILLADO, C. R. (2023). Una revisión exhaustiva de simulaciones de Nanotubos de Carbono de Pared Simple mediante Dinámica Molecular. Open Schools Journal for Open Science / Preprint Archive.