Publications by authors named "Kevin Granados-Tavera"
Photocatalysis appears as one of the most promising avenues to shift towards sustainable sources of energy, owing to its ability to transform solar light into chemical energy, production of chemical fuels oxygen evolution (OER) and CO reduction (CORR) reactions. Ti metal-organic frameworks (MOFs) and graphitic carbon nitride derivatives, poly-heptazine imides (PHI) are appealing CORR and OER photo-catalysts respectively. Engineering of an innovative Z-scheme heterojunction by assembling a Ti-MOF and PHI offers an unparalleled opportunity to mimick an artificial photosynthesis device for dual CORR/OER catalysis.
View Article and Find Full Text PDFEnergy conversion and pollutant degradation are critical for advancing sustainable technologies, yet they often encounter challenges related to charge recombination and efficiency limitations. This study explores iodine-doped TiO nanoparticles as a potential solution for enhancing both energy conversion and pollutant degradation. The nanoparticles were synthesized via the sol-gel method with varying iodine precursor concentrations (0.
View Article and Find Full Text PDFDensity functional theory (DFT) calculations were performed on the 5,15 meso-positions of nine porphyrin-containing MOFs; Zn(TCPB)-(NMe-ZnP); (HTCPB = 1,2,4,5-tetrakis(4-carboxyphenyl)benzene), (NMe-ZnP = [5,15-bis[(4-pyridyl)-ethynyl]-10,20-bis-(dimethylamine) porphinato]zinc(II)) functionalized with nitrogen-, oxygen-, and sulfur-containing groups to study their effects on the electronic, optical and transport properties of the materials. The properties of these materials have also been investigated by encapsulating fullerene (C) in their pores (C@MOFs). The results indicate that the guest C in the MOF generates high photoconductivity through efficient porphyrin/fullerene donor-acceptor (D-A) interactions, which are facilitated by oxygen and sulfur functionalities.
View Article and Find Full Text PDFArticle Synopsis
- The study examines the photophysical and charge transport properties of various modified expanded porphyrins using advanced computational methods like DFT.
- Four compounds are analyzed, with three previously studied experimentally and one theoretical proposal, showing significant near-infrared absorption capabilities.
- Results suggest the most promising dyes for dye-sensitized solar cells are pentaphyrin 1 and hexaphyrin 2, with highlighted benefits of increasing thiophene rings for improved solar energy absorption.
Article Synopsis
- A new photosensitizer, called 1-WS55, is developed using two efficient dyes: azulenocyanine and WS55, which exhibit broad NIR absorption and significant photoelectric conversion efficiency.
- The dyad shows strong panchromatic absorption with intense bands in the NIR and visible range, enhancing its ability to harvest solar energy.
- Calculations indicate that the interaction with TiO surface is effective, resulting in high charge mobility and making 1-WS55 a promising candidate for dye-sensitized solar cells (DSSCs).