Dra. Katerine Paredes Gil
- Química
- Magíster en Ciencias mención Química
- Doctora en Fisicoquímica Molecular
- Facultad de Ciencias Naturales, Matemáticas y del Medio Ambiente (FCNMMA)
- Departamento de Química
- k.paredesg@utem.cl
Líneas de Investigación:
- Química Computacional aplicada a la Catálisis
- Ciencias de los Materiales
Proyectos:
Fondecyt de Iniciación
A computational approach for the understanding of the structure, thermodynamic and elastic properties of Fe-Mn-Co-Cr based High Entropy Alloys.
2021 – 2023
PAI
“Modelamiento Computacional de Materiales Poliméricos y Semiconductores terciarios para Aplicaciones en Sustentabilidad y Energías Renovables: Fortalecimiento del Programa institucional de Fomento a la I+D+i, UTEM.
2019 – 2021
Postdoctorado Fondecyt
“Computational studies of Ring Opening Metathesis Polymerization (ROMP) by Molybdenum and Ruthenium catalyst”
2017 – 2019
Publicaciones:
Effect of Deformation on the Magnetic Properties of C + N Austenitic Steel Metallurgical and Materials Transitions A – 2024
Experimental and computational analysis of stacking fault energy in B-doped Fe50− XMn30Co10Cr10BX multi-principal elements alloys. Journal of alloys and compounds. – 2023
Role of Electronic and Steric Effects on Ruthenium Catalysts with Bulky NHC Ligands and Relationship with the Z-Selectivity in Olefin Metathesis . Catalysts. – 2023
Thermodynamic and Ab Initio Design of Multicomponent Alloys Based on (Fe50Mn30Co10Cr10)-xBx (x = 0, 5, 7, 10, and 15 at.%). Materials – 2023
Into the Role of Unsaturated Trinuclear Metal Carbonyls
in the Formation of [M3(2,3‐bpp)(CO)10] with M=Ru, Os: A DFT Stability Analysis and Electronic Structure. Journal of Cluster Science – 2023
Structural and photoelectrochemical dynamics of in-situ hydrogenated anatase TiO2 thin films grown by DC reactive magnetron sputtering. Applied Surface Science. – 2022
Sandwich-like GaN/MoSe2/GaN heterostructure nanosheet: A First-principle study of the structure, electronic, optical, and thermodynamical properties. Surfaces and Interfases – 2022
Single Spin state drives V-carbene to catalyze olefin metathesis: A computational analysis. Organometallic. – 2022
A mechanistic DFT study of Z-selective ring-opening metathesis polymerization by MAP catalysis . Molecular catalysis – 2022
Theoretical investigation of electronic and optical properties of the 2D-MoSe2/GaN heterostructure nanosheet. Physica E: Low-dimensional Systems and Nanostructure. – 2021
Comparison of the electronic, optical and photocatalytic properties of MoSe2, InN, and MoSe2/InN heterostructure nanosheet-A first-principle study.. Materials Science in Semiconductor Processing – 2021
The Effect of Auxiliary Nitrogenated Linkers on the Design of New Cadmium-Based Coordination Polymers as Sensors for the Detection of Explosive Materials. Chemistry-A European Journal. – 2021