Exploring the CO2 conversion into hydrocarbons via a photocatalytic process onto M-doped titanate nanotubes (M = Ni and Cu)
Por:
Celaya, Christian A., Mendez-Galvan, Melissa, Castro-Ocampo, O., Torres-Martinez, Leticia M., Luevano-Hipolito, Edith, Díaz de León J.N., Lara-Garcia, Hugo A., Diaz, Gabriela, Muñiz J.
Publicada:
1 ene 2022
Resumen:
A combined theoretical and experimental work was performed to assess the carbon dioxide (CO2) evolution reaction into short chain hydrocarbons. The theoretical calculations were performed by using Density Functional Theory (DFT) at the DFT + U level. The reaction mechanisms were elucidated with the string method by comparing the photocatalytic behavior of the pristine Ti-NT surface, previously synthesized in our group, and the M -doped Ti-NT (M -Ti-NT, where M = Cu, Ni) systems. For the pristine material, the results showed lower adsorption energies of the CO2 molecule (-0.27 eV), as compared to that obtained with the M -doped Ti- NT systems. Ni-Ti-NT showed an enhancement in photocatalytic performance with respect to the other surfaces, by yielding small activation energies throughout the reaction path. On the experimental side, Ti-NT and M-Ti-NT (M = Cu, Ni) materials were characterized through several techniques to assess their structural, morphological, textural, and optoelectronic properties. The photocatalytic CO2 reduction was evaluated under wavelength illumination between 440–540 nm. The liquid solar fuel identified products were HCOOH, CH2O, and CH3OH, showing a different distribution among photocatalysts which correlates with the position of the conduction band of the photocatalysts. Doping with Cu and Ni of the Ti-NT structure enhances the carriers’ density which improves the photoactivity mainly in the case of Ni-Ti-NT. The photocatalytic experimental results agree with the theoretical calculations. © 2022 Elsevier Ltd
Filiaciones:
Celaya, Christian A.:
Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos. CP, 62580, Mexico
Univ Nacl Autonoma Mexico, Inst Energias Renovables, Priv Xochicalco S-N,Col Ctr, Temixco CP 62580, Morelos, Mexico
Mendez-Galvan, Melissa:
Instituto de Física, Depto. Física Química, Universidad Nacional Autónoma de México, Apartado Postal 20-364, 0100, CDMX, Mexico
Univ Nacl Autonoma Mexico, Dept Fis Quim, Inst Fis, Apartado Postal 20-364, Mexico City 0100, Mexico
Castro-Ocampo, O.:
Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos. CP, 62580, Mexico
Univ Nacl Autonoma Mexico, Inst Energias Renovables, Priv Xochicalco S-N,Col Ctr, Temixco CP 62580, Morelos, Mexico
Torres-Martinez, Leticia M.:
Universidad Autónoma de Nuevo León, F. Ingeniería Civil, Depto. Ecomateriales y Energía, UANL, Sn Nicolás de los Garza, N.L, C.P.66455, Mexico
CIMAV, S.C. Miguel de Cervantes 120 Complejo Ind. Chihuahua, Chihuahua, 31136, Mexico
Univ Autonoma Nuevo Leon, Dept Ecomat & Energia, UANL, F Ingn Civil, San Nicolas De Los Garza 66455, Mexico
CIMAV, SC Miguel Cervantes 120 Complejo Ind Chihuahua, Chihuahua 31136, Mexico
Luevano-Hipolito, Edith:
CONACYT - UANL, F. Ingeniería Civil, Depto. Ecomateriales y Energía, UANL, Sn Nicolás de los Garza, N.L, C.P.66455, Mexico
CONACYT, Dept Ecomat & Energia, F Ingn Civil, UANL, Nicolas De Los Garza 66455, Mexico
Díaz de León J.N.:
Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Ensenada, 22860, B.C., Mexico
Lara-Garcia, Hugo A.:
Instituto de Física, Depto. Física Química, Universidad Nacional Autónoma de México, Apartado Postal 20-364, 0100, CDMX, Mexico
Univ Nacl Autonoma Mexico, Dept Fis Quim, Inst Fis, Apartado Postal 20-364, Mexico City 0100, Mexico
Diaz, Gabriela:
Instituto de Física, Depto. Física Química, Universidad Nacional Autónoma de México, Apartado Postal 20-364, 0100, CDMX, Mexico
Univ Nacl Autonoma Mexico, Dept Fis Quim, Inst Fis, Apartado Postal 20-364, Mexico City 0100, Mexico
Muñiz J.:
Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos. CP, 62580, Mexico
Univ Nacl Autonoma Mexico, Ctr Nanociencias & Nanotecnol, Ensenada 22860, Mexico
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