TY - JOUR

T1 - Nitrogen-rich covalent organic polymer-hybridized CuFe2O4-based magnetic nanoparticles for efficient iodine adsorption and Cr(VI) reduction

AU - Askari, Saeed

AU - Mehdi Khodaei, Mohammad

AU - Benassi, Enrico

N1 - The authors gratefully acknowledge Razi University for its financial support. Computational resources were kindly provided by Shabyt HPC at Nazarbayev University. This study was funded by Razi University with no grant number.

PY - 2024/11

Y1 - 2024/11

N2 - In this study, a magnetic covalent organic polymer nanohybrid, CuFe2O4@CGP, was prepared by a reaction between cyanuric chloride and guanidinium chloride in the presence of CuFe2O4, and fully characterized. The CuFe2O4@CGP nanohybrid showed promising activity for the adsorption of I2 in cyclohexane compared to previous works with a theoretical maximum adsorption capacity (Qmax) of 769.23 mg/g and a removal efficiency of 98.31 % of I2 which was significantly higher than that of bare CuFe2O4 due to a conjugated π-electron system, N–H-containing and surface –OH groups. The pseudo-second-order kinetic model and the Langmuir model provided a better fit for I2 adsorption over CuFe2O4@CGP. The process of I2 adsorption on the CuFe2O4@CGP surface was also investigated by quantum chemical calculations. Furthermore, the CuFe2O4@CGP acted as a bifunctional catalyst for the efficient decomposition of HCOOH to H2 and CO2 and the reduction of highly toxic Cr(VI) to low-toxic Cr(III) in an aqueous medium. The CuFe2O4@CGP nanohybrid was more efficient than the bare CuFe2O4 NPs with a higher rate constant (0.36 min−1) and activity parameter (0.30 s−1 g−1). The CuFe2O4@CGP nanohybrid showed recoverability and reusability up to six- and five times for the adsorption/desorption process and reduction, respectively.

AB - In this study, a magnetic covalent organic polymer nanohybrid, CuFe2O4@CGP, was prepared by a reaction between cyanuric chloride and guanidinium chloride in the presence of CuFe2O4, and fully characterized. The CuFe2O4@CGP nanohybrid showed promising activity for the adsorption of I2 in cyclohexane compared to previous works with a theoretical maximum adsorption capacity (Qmax) of 769.23 mg/g and a removal efficiency of 98.31 % of I2 which was significantly higher than that of bare CuFe2O4 due to a conjugated π-electron system, N–H-containing and surface –OH groups. The pseudo-second-order kinetic model and the Langmuir model provided a better fit for I2 adsorption over CuFe2O4@CGP. The process of I2 adsorption on the CuFe2O4@CGP surface was also investigated by quantum chemical calculations. Furthermore, the CuFe2O4@CGP acted as a bifunctional catalyst for the efficient decomposition of HCOOH to H2 and CO2 and the reduction of highly toxic Cr(VI) to low-toxic Cr(III) in an aqueous medium. The CuFe2O4@CGP nanohybrid was more efficient than the bare CuFe2O4 NPs with a higher rate constant (0.36 min−1) and activity parameter (0.30 s−1 g−1). The CuFe2O4@CGP nanohybrid showed recoverability and reusability up to six- and five times for the adsorption/desorption process and reduction, respectively.

KW - Catalytic reduction

KW - Covalent organic polymer

KW - CuFe2O4 MNPs

KW - DFT

KW - Environmental treatment

KW - Iodine adsorption and release

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85203539885&origin=inward&txGid=188cf3986479d203ad70d54bfcb57968

UR - https://elibrary.ru/item.asp?id=74155734

UR - https://www.mendeley.com/catalogue/5fb302a8-355f-3549-951e-5d63865a04d8/

U2 - 10.1016/j.inoche.2024.113136

DO - 10.1016/j.inoche.2024.113136

M3 - Article

VL - 169

JO - Inorganic Chemistry Communication

JF - Inorganic Chemistry Communication

SN - 1387-7003

M1 - 113136

ER -