Understanding of vibrational and thermal behavior of bio-based doped alginate@nickel cross-linked beads: A combined experimental and theoretical study
Por:
Abdellaoui, Youness, Celaya, Christian A., Elhoudi, Mohammed, Boualou, Reda, Agalit, Hassan, Reina, Miguel, Gamero-Melo, Procoro, Oualid H.A.
Publicada:
5 feb 2022
Resumen:
Herein, in-situ doping of Alginate-Nickel (Alg@Ni) beads by strontium
(Sr) and indium (In) was realized via alginate gelation method based on
metal cation cross-linking. Three gel beads named Alg@Ni, Alg@Ni/Sr and
Alg@Ni/In were prepared by alginate cross-linking of Ni2+ cation,
Ni2+/Sr2+ cations and Ni2+/In3+, then characterized by Fourier
transformed spectroscopy (FTIR), thermal gravimetric (TGA) and
differential scanning calorimeter analyses (DSC) to exhibit different
properties of gel beads. As a result, FTIR confirmed that the presence
of Sr or In dopant could affect Alg@Ni vibrations. Moreover, the thermal
stabilities of Alg@Ni beads were improved after Sr and In doping.
Besides, theoretical studies were employed to gain more insight into
experimental results. In this context, Alg@M (M = Ni2+, Sr(2+)and In3+)
complexes were studied individually by using density theory functional
(DFT) calculations. The electronic and chemical properties of each
complex were calculated and discussed. The correlation between the
thermal stability and molecular structure of the Alg@Ni, Alg@Sr, and
Alg@In was evaluated using ab initio molecular dynamic (MD) simulation.
(C) 2021 Elsevier B.V. All rights reserved.
Filiaciones:
Abdellaoui, Youness:
Faculty of Engineering, Environmental Engineering Department, Autonomous University of Yucatan, Mexico
Autonomous Univ Yucatan, Fac Engn, Environm Engn Dept, Merida, Yucatan, Mexico
Celaya, Christian A.:
Departamento de Materiales de Baja Dimensionalidad Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México Circuito Exterior S.N. Ciudad Universitaria, P.O. Box 70-360, Coyoacán C.P. 04510, Ciudad de México, Mexico
Univ Nacl Autonoma Mexico, Inst Invest Mat, Dept Mat Baja Dimensionalidad, Circuito Exterior SN Ciudad Univ,POB 70-360, Ciudad De Mexico 04510, Mexico
Elhoudi, Mohammed:
Analytical Chemistry and Environment Team, Laboratory of Materials and Environment, Faculty of Sciences, Ibn Zohr University, Agadir, Morocco
Ibn Zohr Univ, Fac Sci, Lab Mat & Environm, Analyt Chem & Environm Team, Agadir, Morocco
Boualou, Reda:
LTE, Faculté des sciences, Université Mohammed V, BP1014 RP, Rabat, 10100, Morocco
Green Energy park, (IRESEN, UM6P), Benguerir, Morocco
Univ Mohammed 5, Fac Sci, LTE, BP1014 RP, Rabat 10100, Morocco
IRESEN, UM6P, Green Energy Pk, Benguerir, Morocco
Agalit, Hassan:
Birmingham Centre for Energy Storage (BCES) & School of Chemical Engineering, University of Birmingham, Birmingham, B15 2TT, United Kingdom
Univ Birmingham, Birmingham Ctr Energy Storage BCES, Birmingham B15 2TT, W Midlands, England
Univ Birmingham, Sch Chem Engn, Birmingham B15 2TT, W Midlands, England
Reina, Miguel:
Departamento de Materiales de Baja Dimensionalidad Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México Circuito Exterior S.N. Ciudad Universitaria, P.O. Box 70-360, Coyoacán C.P. 04510, Ciudad de México, Mexico
Univ Nacl Autonoma Mexico, Inst Invest Mat, Dept Mat Baja Dimensionalidad, Circuito Exterior SN Ciudad Univ,POB 70-360, Ciudad De Mexico 04510, Mexico
Gamero-Melo, Procoro:
Cinvestav Saltillo, Sustainability of Natural Resources and Energy, Coahuila, Mexico
Cinvestav Saltillo, Sustainabil Nat Resources & Energy, Saltillo, Coahuila, Mexico
Oualid H.A.:
Green Energy park, (IRESEN, UM6P), Benguerir, Morocco
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