Artículo
Understanding the active sites of boron nitride for CWPO: An experimental and computational approach
Autor/es | Quintanilla, A.
Vega, G. Carbajo, J. Casas, J. A. Lei, Y. Fujisawa, K. Fernández Sanz, Javier ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
Departamento | Universidad de Sevilla. Departamento de Química Física |
Fecha de publicación | 2021 |
Fecha de depósito | 2022-12-21 |
Publicado en |
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Resumen | Hexagonal boron nitride (h-BN) has been explored as a catalyst for degrading persistent organic pollutants in
wastewater by Catalytic Wet Peroxide Oxidation (CWPO). Herein, the superior activity of the h-BN on the ... Hexagonal boron nitride (h-BN) has been explored as a catalyst for degrading persistent organic pollutants in wastewater by Catalytic Wet Peroxide Oxidation (CWPO). Herein, the superior activity of the h-BN on the phenol degradation (model pollutant) compared to other metal-free catalysts, such as carbon-based ones, and the lower selectivity to CO encourage the potential application of h-BN catalysts in CWPO processes. Through a combined density functional theory calculations, experimental reactions and catalyst characterization approach, a com- prehensive study on the reaction mechanism has been conducted. According to this, only defected B atoms in the h-BN layer, protonated as B-(OH2)+, decompose the hydrogen peroxide into highly reactive hydroxyl radicals. The radical species diffuse towards inner h-BN regions and react with the phenol adsorbed by π-π interaction on the h-BN surface. Oxidation by-products cause carbonaceous deposits and progressive deactivation of the h-BN catalyst that can be directly regenerated by burning off in air. |
Agencias financiadoras | Comunidad Autónoma de Madrid Ministerio de Ciencia e Innovación (MICIN). España Agencia Estatal de Investigación. España European Commission (EC). Fondo Europeo de Desarrollo Regional (FEDER) |
Identificador del proyecto | S2018/EMT-4341
![]() RTI2018-095052-B-I00 ![]() PID2019-106871 GB-I00 ![]() US-1381410 ![]() PEJD-2018-PRE/AMB-9019 ![]() |
Cita | Quintanilla, A., Vega, G., Carbajo, J., Casas, J.A., Lei, Y., Fujisawa, K. y Fernández Sanz, J. (2021). Understanding the active sites of boron nitride for CWPO: An experimental and computational approach. Chemical Engineering Journal, 406, 126846. https://doi.org/10.1016/j.cej.2020.126846. |
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