Sasha Gazzari

Pontificia Universidad Católica de Chile — Chile

Materials Science · Physical Sciences

4h-index75citations10works2.32yr avg
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Research Topics

2D Materials and Applications(4), MXene and MAX Phase Materials(3), Cyclopropane Reaction Mechanisms(2), Machine Learning in Materials Science(2), Electrocatalysts for Energy Conversion(1)

Publications10 total

Theoretical Study of Cu Carbenoids in C–H Activation Reactions: The Interplay between Metal Back-Donation and Electrophilicity of the Carbon
The Journal of Physical Chemistry A·2025· 2 citedOpen Access
Boron-nitrogen fullerenes as electrocatalysts for nitrogen reduction: A computational study of affinity and reaction mechanism
iScience·2025· 5 citedOpen Access
Computational exploration of the electrochemical oxidation mechanism of thiocyanate catalyzed by cobalt-phthalocyanines
Physical Chemistry Chemical Physics·2025
The study of the PES and the reaction mechanism between ketene and Lithium Carbenoids and the formation of cyclopropanone
Theoretical Chemistry Accounts·2023· 1 cited
Photophysical characteristics of Phenylimidazo(4,5-f)1,10-phenanthroline Rhenium(I) complexes - A theoretical approach to their potential applications in lighting devices
Materials Science in Semiconductor Processing·2022· 4 cited
A first-principles description of the stability of transition-metal doped phosphorene nanosheets
Surfaces and Interfaces·2020· 11 cited
Theoretical Description of the Physical/chemical Contributions Determining the Stability of Transition-Metal Doped Phosphorene Nanosheets
2020Open Access
Theoretical Description of the Physical/chemical Contributions Determining the Stability of Transition-Metal Doped Phosphorene Nanosheets
2020· 1 citedOpen Access
Uptake of formaldehyde onto doped phosphorene nanosheets: A cluster DFT study of single and co-adsorption states
Journal of Alloys and Compounds·2020· 33 cited
Interaction of trivalent arsenic on different topologies of Fe-doped graphene nanosheets at water environments: A computational study
Journal of Molecular Liquids·2019· 18 cited

Frequent Co-authors

Diego Cortés‐Arriagada(7), Kerry Wrighton‐Araneda(3), Sebastián Miranda‐Rojas(2), Bárbara Herrera(2), Ernesto Chigo Anota(1), Paulina Dreyse(1), Iván González(1), Daniel Villablanca(1), Néstor Gutiérrez‐Sánchez(1), Carlos Orellana(1), Kevin Blanco-Esperguez(1), Paulina Sierra‐Rosales(1), Fernando Mendizábal(1)