Study of Magnetic Properties of Fe-Doped CuO: Monte Carlo Simulations

Chafi, Fatima Zahra; Jabar, A.; Bahmad, L.; Hassanaı̈n, N.; Fares, Boubker; Mzerd, A.

doi:10.1007/s10948-017-3995-7

Cited by 9 publications

(6 citation statements)

References 23 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The addition of Fe/CuO improves the conductivity of the modified carbon paste while decreasing the electron transfer resistance. The occurrence of various active redox couples, such as Cu 2+ /Cu + (in pure CuO) along with Fe 2+ /Fe 3+ , which promote electron hopping between Cu 2+ /Fe 2+ and/or Cu + /Fe 3+ ion pairs as a result of mutual charge interaction, might explain such an increase in electrical conductivity [39] …”

Section: Resultsmentioning

confidence: 99%

“…The occurrence of various active redox couples, such as Cu 2 + /Cu + (in pure CuO) along with Fe 2 + /Fe 3 + , which promote electron hopping between Cu 2 + /Fe 2 + and/or Cu + /Fe 3 + ion pairs as a result of mutual charge interaction, might explain such an increase in electrical conductivity. [39] Choosing the fabric To choose the best fabric for making the sensor, different fabrics such as polyester, cotton, and nonwoven were used to put carbon paste on it and make the electrodes. Figure 4 shows the CVs and EIS of the electrodes that were created.…”

Section: Electrochemical Impedance Spectroscopic Studiesmentioning

confidence: 99%

See 1 more Smart Citation

Design of a Flexible Enzyme‐less Glucose Sensor Based on Non‐woven Fabric and Fe‐Doped CuO Nanocomposite

Mashhadizadeh

Abdollahi

2023

ChemistrySelect

View full text Add to dashboard Cite

Among various enzyme-free sensors, transition metals and their oxides have been used as suitable modifiers for the design of glucose electrochemical sensors due to their availability and low cost. In the present study, a flexible, enzyme-less, nonwoven fabric-based glucose sensor was developed. We synthesized the Fe-doped CuO (Fe/CuO) chemically and used it as a modifier to the carbon paste to achieve this. A working electrode was created by stabilizing the paste on a nonwoven fabric. The fabric used did not require any pre-preparation except cleaning. The synthesized Fe/CuO was characterized using scanning electron microscopy (SEM), energy-dispersive Xray spectroscopy (EDX), electrochemical impedance spectro-scopy (EIS), diffuse reflectance spectroscopy (DRS), and X-ray diffraction (XRD). The electrochemical properties of the Fe/CuO nanocomposite on the textile electrode were investigated using cyclic voltammetry, amperometry, and electrochemical impedance spectroscopy. In the proposed enzyme-free sensor, Fe/CuO catalyzed the oxidation of glucose on the electrode surface. The sensor has high sensitivity, a wide linear range (2.5 × 10 À 3 -6.57 mM), a low detection limit (8.0 × 10 À 4 mM), long-term stability, and good selectivity. Finally, the sensor was used to determine the amount of glucose in a human sweat sample.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Electrochemical Impedance Spectroscopic Studiesmentioning

confidence: 99%

Design of a Flexible Enzyme‐less Glucose Sensor Based on Non‐woven Fabric and Fe‐Doped CuO Nanocomposite

Mashhadizadeh

Abdollahi

2023

ChemistrySelect

View full text Add to dashboard Cite

show abstract

“…The valence electrons used are 3d and 4s. In order to generate the coherent potential (CPA) approximation for O, we use [He] 2s² 2p 4 . The valence electrons used are 2s and 2p.…”

Section: Electronic Structurementioning

confidence: 99%

“…As well as other transition metal oxides, the Copper Oxide (CuO) material has anti-ferromagnetic ground state [2]. As a narrow band gap semiconductor, the CuO has been proved to be a good host material for diluted magnetic semiconductors [3,4].…”

Section: Introductionmentioning

confidence: 99%

First principle calculations with SIC correction of Fe-doped CuO compound

Chafi

Salmani

Bahmad

et al. 2018

Computational Condensed Matter

Self Cite

View full text Add to dashboard Cite

In this work, the electronic properties of Fe-doped CuO (Cu 1-x Fe x O) thin films are studied by using a standard density functional theory (DFT) based on the ab-initio approach under the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA). This study is carried out in the framework of the general gradient approximation (GGA) and self-interaction-corrected (SIC). The density-of-states (DOSs) in the energy diagram are illustrated and discussed. The computed electronic properties of our compounds confirm the half-metalicity nature of this material (CuO). In addition, the absorption spectra of the studied compound within the Generalized Gradient Approximation GGA, as proposed by Perdew-Burke-Ernzerhof (PBE) and GGA-PBE -SIC approximations are examined. Compared with the pure CuO, the Fermilevels of doped structures are found to move to the higher energy directions. Finally, the effect of Fe-doping method in CuO can transform the material to half-metallic one, with a high wide impurity band in two cases of approximations local density approximation (LDA) and SIC method.

show abstract

“…At the same time, the results of X-ray photoelectron spectrometry demonstrate that Fe 7 S 8 is composed of both Fe 2+ and Fe 3+ states [4]. In order to study theoretically magnetic properties and phase transitions of magnetic systems [15][16][17][18][19][20][21] many works have studied the mixed Ising model [22][23][24] by using different approximation methods like, Mean-Field Approximation (MFA) and Monte Carlo Simulation (MCS) [25][26][27][28][29]. In the present work, the structural, the electronic and the magnetic properties of Fe 7 S 8 compound have been studied.…”

Section: Introductionmentioning

confidence: 99%

Mean field theory and Monte Carlo simulation of phase transitions and magnetic properties of a tridimensional Fe₇S₈ compound

et al. 2020

View full text Add to dashboard Cite

The structural, electronic and magnetic properties of Fe 7 S 8 material have been studied within the framework of the ab-initio calculations, the mean field approximation (MFA) and Monte Carlo simulation (MCS). Our study shows that two forms of the iron atoms, Fe 2+ with spin S=2, and Fe 3+ with spin =5/2 are the most probable configurations. A mixed Ising model with ferromagnetic spin coupling between Fe 2+ and Fe 3+ ions and between Fe 3+ and Fe 3+ ions, and with antiferromagnetic spin coupling between Fe 2+ ions of adjacent layers has been used to study the magnetic properties of this compound. We demonstrated that the magnetic phase transition can be either of the first or of the second order, depending on the value of the exchange interaction and crystal field. The presence of vacancies in every second iron layer leads to incomplete cancellation of magnetic moments, hence to the emergence of the ferrimagnetism. Anomalies in the magnetization behavior have been found and compared with the experimental results.

show abstract

Study of Magnetic Properties of Fe-Doped CuO: Monte Carlo Simulations

Cited by 9 publications

References 23 publications

Design of a Flexible Enzyme‐less Glucose Sensor Based on Non‐woven Fabric and Fe‐Doped CuO Nanocomposite

Design of a Flexible Enzyme‐less Glucose Sensor Based on Non‐woven Fabric and Fe‐Doped CuO Nanocomposite

First principle calculations with SIC correction of Fe-doped CuO compound

Mean field theory and Monte Carlo simulation of phase transitions and magnetic properties of a tridimensional Fe₇S₈ compound

Contact Info

Product

Resources

About

Study of Magnetic Properties of Fe-Doped CuO: Monte Carlo Simulations

Cited by 9 publications

References 23 publications

Design of a Flexible Enzyme‐less Glucose Sensor Based on Non‐woven Fabric and Fe‐Doped CuO Nanocomposite

Design of a Flexible Enzyme‐less Glucose Sensor Based on Non‐woven Fabric and Fe‐Doped CuO Nanocomposite

First principle calculations with SIC correction of Fe-doped CuO compound

Mean field theory and Monte Carlo simulation of phase transitions and magnetic properties of a tridimensional Fe7S8 compound

Contact Info

Product

Resources

About

Mean field theory and Monte Carlo simulation of phase transitions and magnetic properties of a tridimensional Fe₇S₈ compound