Fe Doping Research Articles

Low-Loss Buried InGaAs/InP Integrated Waveguides in the Long-Wave Infrared.

In this work, we present a photonic integrated platform based on buried InGaAs waveguides with InP cladding that operates over a large mid-infrared (mid-IR) spectral range. Thanks to wet-etch fabrication patterning and Fe doping, low propagation losses below 1.2 dB/cm (0.3 cm-1 loss coefficient) have been obtained between 4.6 and 11.2 μm wavelengths (890-1960 cm-1 wavenumber), in both transverse electric (TE) and transverse magnetic (TM) polarization modes. The possibility of monolithically integrating such waveguides with mid-IR sources offers promising perspectives for developing broadband, homogeneously integrated systems.

Coupling the fast electron transportation of cobalt diselenide-based anode via cationic modulation for high rate Na+ storage

The sodium-ion batteries (SIBs), as compelling candidate for partially replacing lithium-ion batteries (LIBs) in relevant application scenarios, is gaining increasing attention. The development of high-rate performance anode materials for sodium-ion batteries is exceptionally crucial. Here, a ZIF (zeolitic imidazolate framework) compound targeting bimetallic cations has applied through a pyrolysis-induced in-situ selenization strategy. This resulted in a nitrogen-doped porous carbon-encapsulated Fe-ion-modified CoSe2 material with a rhombic dodecahedron morphology (Fe-CoSe2@NC). The architecture not only effectively alleviates the bulk stress induced by the insertion/extraction of sodium ions, but also enhances the migration and transport of electrons/ions. Additionally, Fe doping enhances the material's conductivity and expedites reaction kinetics. Consequently, the Fe-CoSe2@NC exhibits outstanding rate performance and cycling stability (362.54 mAh g-1 after 1000 cycles at a current density of 10.0 A g-1) when utilized as an anode for SIBs in a coin-type half-cell. The Fe-CoSe2@NC also delivers a high initial coulombic efficiency (ICE) of 70.14%. This is substantiated by diffusion analysis and in-situ electrochemical impedance spectroscopy (EIS) characterization. The charging and discharging mechanisms of Fe-CoSe2@NC were verified through XRD and TEM characterizations during the electrochemical processes. When coupled with Na3V2(PO4)3 as the cathode material to form a full cell, the Fe-CoSe2@NC// Na3V2(PO4)3 battery system achieves a high energy density of 112.05 Wh kg-1. In this study, the successful construction of a transition metal selenide anode material for SIBs characterized by a stable structure and facilitation of rapid ion migration was demonstrated.

Bionic Design of Iron-Doped MoSe2 Catalyst for Efficient Nitrogen Fixation.

The catalytic system of biological nitrogen fixation in nature primarily relies on the "FeMo cofactor" within nitrogenase enzymes. Inspired by this natural structure, we have designed a bionic inorganic counterpart, iron-doped MoSe2, for the efficient electroreduction of dinitrogen to ammonia. The introduced Fe dopant significantly enhances nitrogen fixation activity of MoSe2. Furthermore, we constructed a heterostructure catalyst, the Fe-MoSe2/Mo2C with more versatile Mo valence states. The heterostructured electrocatalyst achieves an ammonia production rate of 3.38 μg cm-2 h-1, and a Faradaic efficiency of 30.8 %, which is ~5 fold higher than that of pristine MoSe2. This study presents a novel approach for designing bionic nitrogen fixation electrocatalysts.

Iron, Tungsten Dual-Doped Nickel Sulfide as Efficient Bifunctional Catalyst for Overall Water Splitting.

Developing low-cost and highly efficient bifunctional catalysts for both the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER) is a challenging problem in electrochemical overall water splitting. Here, iron, tungsten dual-doped nickel sulfide catalyst (Fe/W-Ni3S2) is synthesized on the nickel foam, and it exhibits excellent OER and HER performance. As a result, the water electrolyze based on Fe/W-Ni3S2 bifunctional catalyst illustrates 10mAcm-2 at 1.69V (without iR-compensation) and highly durable overall water splitting over 100h tested under 500mAcm-2. Experimental results and DFT calculations indicate that the synergistic interaction between Fe doping and Ni vacancy induced by W leaching during the in situ oxidation process can maximize exposed OER active sites on the reconstructed NiOOH species for accelerating OER kinetics, while the Fe/W dual-doping optimizes the electronic structure of Fe/W-Ni3S2 and the binding strength of intermediates for boosting HER. This study unlocks the different promoting mechanisms of incorporating Fe and W for boosting the OER and HER activity of Ni3S2 for water splitting, which provides significant guidance for designing high-performance bifunctional catalysts for overall water splitting.

Simultaneous incorporation of Co and Fe into sulfur-vacancy-enriched MoS2 enhances the activation of peroxymonosulfate

Developing efficient and low-cost catalysts in peroxymonosulfate (PMS)-based advanced oxidation processes is vital but challenging. Here, a series of Co,Fe co-doped MoS2 with abundant S vacancies were prepared and utilized as PMS activators. The OTC removal efficiency (92.0%) in 1-Co,Fe-MoS2/PMS system was significantly higher than that (53.5%) in MoS2/PMS system. SO4•–/•OH, O2•−, and 1O2 played dominant roles, while high-valent metal and electron transfer mechanism played limited roles for OTC removal in both systems. The contributions of reactive species in 1-Co,Fe-MoS2/PMS system ranked as follows: 1O2 > SO4•–/•OH > O2•−, while that was O2•− > SO4•–/•OH >1O2 in MoS2/PMS system. Co and Fe doping promoted the generation of S vacancy in MoS2. Co(II)/Co(III), Fe(II)/Fe(III) and Mo(IV)/Mo(VI) all contributed to the activation of PMS, but Co and Fe sites were the major active sites of 1-Co,Fe-MoS2. Moreover, 1-Co,Fe-MoS2 was deposited on a polytetrafluoroethylene membrane, and exhibited excellent catalytic effect for OTC removal via a flow-through setup. Thus, this study provided a promising Co,Fe-MoS2/PMS process for organic pollutant removal.

Conversion of iron rusty waste into Fe dopant of TiO2 to increase its photocatalytic activity under visible light for photodegradation of rhodamine-B

This present research deals with a systematic study on doping TiO2 with Fe from iron rusty waste to improve the activity under visible light irradiation through gap narrowing in the TiO2 semiconductor structure. The doping was conducted by the sol-gel method by interacting titania tetra isopropoxide (TTIP) with Fe3+ ions dissolved from the iron rusty waste in aqua regia. The concentration of the Fe3+ was varied giving mole ratio to TiO2 as (1:0.04), (1:0.08), (1:0.12), (1:0.16), and (1:0.20). The activity of TiO2–Fe was examined for Rhodamine-B dye photodegradation through batch technique. The influences of the Fe fraction, irradiation time, photocatalyst weight, and solution pH were also evaluated to find the best condition for the dye degradation. The research results attribute that doping TiO2 with Fe3+ from the rusty waste has successfully shifted the band gap energy into the visible regime, which remarkably increases the TiO2 activity under visible light irradiation. The increase is controlled by the Fe fraction in the photocatalyst, and the best performance is shown by TiO2–Fe with a 1:0.12 mol ratio. From the dye photodegradation, it is found that the highest degradation effectiveness (99.20 %) of 5 mg/L Rhodamine B in 50 mL of the solution, can be obtained by using 50 mg of TiO2–Fe (1:0.12), pH 5, in 90 min. The photocatalyst can be reused twice in the photodegradation process without a significant decrease in photoactivity. It is implied that the rusty waste has potential as a Fe dopant source creating a better visible responsive photocatalyst.

Acceleration mechanisms of Fe and Mn doping on CO2 separation of CaCO3 in calcium looping thermochemical heat storage

The doping strategy with dark metallic oxide has proven effective in improving optical absorptions and heat storage performances of calcium-based materials for the direct solar-driven thermochemical energy storage system, but the microscopic mechanisms of accelerated decomposition of CaCO3 during heat storage process are still unclear. Carbide slag as an industrial waste with low cost and high CaO content is considered as a potential calcium-based precursor for large-scale thermochemical energy storage. Herein, the novel Fe-doped and Mn-doped calcium-based materials were synthesized from carbide slag and their optical absorption properties and heat storage performances were determined in the experiment. The optimum decomposition temperatures of CaCO3 during heat storage process decreased 10.5 °C and 18.6 °C due to Fe doping and Mn doping, respectively. The acceleration mechanisms by Fe doping and Mn doping for enhancing the CO2 separation of CaCO3 in the calcination stage of the heat storage process were investigated by density functional theory (DFT) calculations. The structural parameters, partial density of states, electron differential densities and energy barriers during CO32– dissociation in heat storage process on the doped CaCO3 and undoped CaCO3 surfaces were compared to clarify the effects of Fe doping and Mn doping on the CaCO3 decomposition. The energy barriers of Fe-doped material and Mn-doped material are 1.68 eV and 1.42 eV, respectively, which are 29.4% and 40.3% lower than that of undoped material. This work helps to understand the microscopic mechanisms of accelerated CaCO3 decomposition by Fe and Mn during heat storage process.

Leveraging electron spin driven photocatalytic hydrogen evolution ability of BiVO4 via crystal facet engineering and iron ion infiltration strategies

An electron spin regulated hydrogen evolution reaction (HER) for photocatalyst is significant to understand the underlying photocatalytic mechanism. Here, the iron with gradient distribution in BiVO4 can successfully activate HER of Fe-BiVO4. Mechanical performance calculations indicate that doped Fe3+ replacing V site can form stable chemical structure for BiVO4. Theoretical calculations suggest that the photo-generated electrons migrate from bulk to defect sites in surface layers of Fe-BiVO4. The doped Fe ions effectively improves the carrier transport ability and significantly reduces the carrier recombination probability. Electron spin state change of the 1Fe-BiVO4 (Mag) enhances evidently the current density in photocatalysis, and increases markedly the HER performance compared with that of 1Fe-BiVO4. More importantly, the magnetization further prolongs carrier lifetime and optimizes rate determining step free energy of water dissociation for Fe-BiVO4. Our work opens a new way to understand the effect of magnetic field controlling spin states on photocatalytic HER.

Selective oxidation behavior based on iron-doped MOF derived carbon-based catalysts: Active site regulation and degradation mechanism analysis

Selective removal of target organic pollutants in complex water quality of municipal sewage is extremely important for the deep treatment of water quality. Here, energetic MOF and Fe-MOF are doped in electrostatic spinning process to adjust the structure and composition of the catalysts, active oxygen species (ROSs), realizing the selective removal of organic pollutants. Non-azo and azo pollutants are selected as target pollutants. Catalysts PCFe-8 with Fe nanoclusters, EPCFe-8 with Fe-Nx, and EPC-8 without Fe doping are used to activate peroxymonosulfate (PMS) for degrading pollutants. The results show that the PCFe-8/PMS system can produce the most SO4− and exhibit superior removal of azo pollutants, whereas the degradation behavior of non-azo pollutants is more inclined to occur in the EPCFe-8/PMS system and the EPC-8/PMS system. This work provides a reference for elucidating the relationship between catalyst structure and components, types of ROSs, and selective degradation of pollutants.

Ultrasonic enhanced liquid-liquid interfacial reaction for improving the synthesis of Iron-doped carbon dots (Fe-CDs) for achieving superior photocatalytic performance

The precise and controllable preparation of carbon nanomaterials under mild conditions poses a great challenge, especially for metal-catalysed multiphase preparation. This work proposes an efficient method that utilizing high-density ultrasound to enhance the liquid-liquid interfacial reaction system. Iron-doped carbon dots (Fe-CDs) are successfully synthesized in such a normal temperature and atmospheric-pressure reaction condition. It is shown that transient cavitation provides a high-temperature and high-pressure microenvironment for the preparation of Fe-CDs. Moreover, the size of the reactant droplets is reduced from 200.0 ± 17.3 μm to 8.1 ± 2.9 μm owing to the acoustic flow and cavitation effects, which increases the specific surface area of the two reacting phases and improves the mass transfer coefficient by more than 252.0 %. As a result, the yield increases by more than an order of magnitude (from 0.7 ± 0.1 % to 11.9 ± 0.2 %) and the Fe doping rate reaches 20.9 %. The photocatalytic oxidation conversion of 1,4-Dihydropyridine (1,4-DHP) using the obtained Fe-CDs is as high as 98.2 %. This research gives a new approach for the efficient and safe production of Fe-CDs, which is promising for industrial applications.

First-principles calculation on electronic properties of hydrogen evolution reaction of Ni-based electrode surfaces with different monatomic doping

At present, the hydrogen evolution reaction (HER) of Ni-based electrode has an important influence on water electrolysis hydrogen production technology, involving complex electrochemical process of electrode. In this project, Materials Studio (MS) software was used to design and construct Ni-based electrode surface (NES) models with monatomic Mo, Co, Fe, Cr doping, and the NES models attached 1 H atom and 2H atoms were denoted as the NES-H models and NES-2H model, respectively. Then the first-principles calculation was carried out.The results showed that the doping of different atoms can effectively change the work function of the pure Ni. In the charge transfer process of the four NES-2H models, the distance between the two H atoms is most affected by Mo doping, and they leave the Ni electrode surface as a single H ion, respectively, while the effect on Co, Fe and Cr doping is relatively consistent, and they leave the Ni electrode surface with H2 molecules, respectively. The doping of four single atoms changes the distance of valence band (VB) top and conduction band (CB) bottom from Fermi level in NES, NES-H and NES-2H models, and affects the HER, in which Mo doping has the greatest effect. The TDOS of the above models is mainly derived from the PDOS of the d orbitals of the doped atoms and Ni atoms. The results will provide a theoretical basis for the research and development of Ni-based electrode materials in HER.

Tailoring Ni 3d orbitals in Ni-Fe/Ni foam heterostructures for enhanced H* adsorption and boosted electrocatalytic nitrate reduction performance

The electrochemical nitrate (NO3−) reduction (ENR) in wastewater, a promising remediation strategy, is often impeded by the essential use of costly noble metals. This study introduces an innovative non-noble Ni-Fe/Ni foam cathode fabricated via one-step electrodeposition technique. Efficient nitrate removal (99.4 %) was achieved with the selectivity of 83.6 % to NH3. The exceptional performance can be ascribed to the augmented active sites and the synergistic interaction between Ni and Fe. The leftward shift of the 3d orbitals density of Ni and the elevation of density at the Fermi level on Ni foam heterostructures, consequent to Fe doping, enhance the adsorption of H*. The addition of reactive chlorine species, generated through anodizing in Cl− mediated system, further improves N2 selectivity by oxidizing intermediate NH4+ product. The coupled anodic oxidation method employed herein achieves nearly 100 % removal efficiency of total nitrogen (TN) for initial concentration of 100 mg/L within 180 min, under the conditions of 1.5 g/L Cl− concentration and a current density of 25 mA cm−2. The findings underscore the potential of the Ni-Fe/Ni foam cathode within a Cl− mediated electrocatalytic framework for nitrate wastewater treatment, providing novel insights into the design of cathode catalysts and anodic coupling strategies for efficient TN removal.

Antibacterial efficacy of Rumex dentatus leaf extract-enriched zinc oxide and iron doped zinc nanoparticles: a comparative study

In the current investigation, zinc oxide (ZnO) nanoparticles and Fe-doped ZnO nanoparticles were sustainably synthesized utilizing an extract derived from the Rumex dentatus plant through a green synthesis approach. The Scanning electron microscope (SEM), X-ray diffraction (XRD), Energy-dispersive x-ray spectroscopy (EDX), Ultra-violet visible spectroscopy (UV–vis) spectroscopy, Fourier-transform infrared spectroscopy (FTIR), and Thermogravimetric analysis (TGA) techniques were used to examine the compositional, morphological, optical, and thermal properties of both samples. The doping of iron into ZnO NPs has significantly influenced their properties. The analysis firmly established that both ZnO NPs and Fe-doped ZnO NPs have hexagonal wurtzite structures and spherical shapes by XRD and SEM. The EDX analysis suggests that iron atoms have been successfully integrated into the ZnO lattice. The change in color observed during the reaction indicated the formation of nanoparticles. The UV–vis peaks at 364 nm and 314 nm confirmed the presence of ZnO NPs and Fe-doped ZnO NPs, respectively. The band gap of ZnO NPs by Fe dopant displayed a narrowing effect. This indicates that adding iron ions to ZnO NPs offers a control band gap. The thermal study TGA revealed that Fe-doped ZnO NPs remain stable when heated up to 600 °C. The antibacterial efficacy of ZnO NPs and Fe-doped ZnO NPs was evaluated against several bacterial strains. The evaluation is based on the zone of inhibition (ZOI). Both samples exhibited excellent antibacterial properties as compared to conventional pharmaceutical agents. These results suggest that synthesizing nanoparticles through plant-based methods is a promising approach to creating versatile and environmentally friendly biomedical products.

Enhancement the linear/nonlinear optical and magnetic properties of ZnCo2O4 nanostructures through Ni/Fe dual doping

Nano Zn0.9Ni0.1Co2-xFexO4 samples were prepared using the hydrothermal procedure in order to enhance the functional characteristics of ZnCo2O4 sample. The structural and microstructural parameters of the prepared samples were determined through Rietveld and FTIR analyses. The morphologies and compositions of the samples were examined by SEM and EDS techniques. Upon Ni2+ doping, the bandgap energy of nano ZnCo2O4 decreased from 2.22 eV to 3.61 eV–2.18 eV and 3.51 eV. Doping with Fe caused a slight decrease in bandgap energy for x = 0.05, then an increase for a higher content of Fe. Several empirical equations were used to determine the refractive index from the corresponding obtained optical energy gap values. As the Fe content rose to 5 %, the value of refractive index and nonlinear optical parameters increased; thereafter, it declined with additional Fe doping. The photoluminescence technique was used to analyze defects and processes of charge carrier recombination in the samples. ZnCo2O4 sample exhibits paramagnetic performance. With the addition of Ni to ZnCo2O4, the magnetic characteristics of the sample became superparamagnetic. Samples doped with Ni and various quantities of Fe exhibit a weak ferromagnetic behavior. The effect of doping on the magnetic transition, coercivity, saturation magnetization and remanent magnetization was explored.

SILAR-engineered ZnO thin films: exploring the impact of Ni, Co, and Fe dopants on structural, optical, and electronic properties

SILAR-engineered ZnO thin films: exploring the impact of Ni, Co, and Fe dopants on structural, optical, and electronic properties

Retraction Note: Influence of Fe doping on the photocatalytic dye degradation and H2 evolution properties of BiVO4 thin films under visible-light irradiation

Retraction Note: Influence of Fe doping on the photocatalytic dye degradation and H2 evolution properties of BiVO4 thin films under visible-light irradiation

The intermediate valence state Mo5+ in Fe doping La2(MoO4)3 boosting electrochemical nitrogen reduction

NH3 is considered as an ideal fuel for fuel cells to achieve zero carbon emissions due to its high energy density (at liquefaction) and carbon-free properties. The zero-carbon clean electrocatalytic nitrogen reduction reaction (NRR) is one of the alternative routes for NH3 synthesis. The efficiency of NRR is restricted by the high stability of N N and the slow reaction rate. In this study, La2(MoO4)3 (LaMo), and x%Fe doping-LaMo (x = 3, 5, 7, and 10) are synthesized via a hydrothermal method. The strong electron-donating ability of Fe converts a part of Mo6+ to Mo5+ and Mo4+ improving the electronic environment. The presence of Mo5+, an intermediate valence state, facilitates the oxidation and reduction reactions and establishes rapid electron transport channels. The electron transport of Mo6+↔e−Mo5+ is easier than Mo6+↔2e−Mo4+. Furthermore, the Mo5+ activates N2 and enhances N2 adsorption, boosting the NRR performance. Importantly, the content of Mo5+ exhibits a positive correlation with NH3 yield rate (R2 = 0.89), and Faradaic efficiency (FE, R2 = 0.95). Consequently, the 5%Fe–LaMo exhibits the highest Mo5+ percentage (75.9 %) and NRR performance (NH3 yield rate:30.4 μg h−1 mgcat−1, FE: 3.6 %). Thus, this study proposes a method to enhance the NRR performance by element doping with strong electron-donating ability to regulate the Mo5+ percentage.

Improved thermodynamic properties of (Sc, V, Ti, Fe, Mn, Co, and Ni) doped NaBH4 for hydrogen storage: First-principal calculation

Sodium borohydride (NaBH4) shows promise as a hydrogen storage option, but its substantial thermodynamic stability limits its practical application. Enhancing NaBH4 by introducing transition metals is an effective approach to enhance its hydrogen-related characteristics. Nevertheless, even with the most successful additives, the temperatures needed for hydrogen release remain too elevated, exceeding 400 °C, which hinders its practical utility. Using first-principles density functional, we have investigated the potential of sodium borohydride as a hydrogen-based fuel source. Our focus has been on the stable α-phase NaBH4 structure with space group symmetry F-43m (216), aiming to understand the impact of 3d transition metal (Sc, V, Ti, Fe, Mn, Co, and Ni) doping on the structural, electronic, and dehydrogenation properties of the NaBH4 system. Furthermore, the heat of formation and desorption temperature values obtained align with the stability and volumetric capacity criteria set by the U.S. Department of Energy (DOE). Our findings indicate that doping transition metals at the Na site weakens the B–H bonds, thereby enhancing the dehydrogenation performance. Among the various systems studied, those doped with Sc and Ti exhibit the most favorable dehydrogenation properties.

Rational Design of Cost-Effective Metal-Doped ZrO2 for Oxygen Evolution Reaction

HighlightsSurface energy and surface Pourbaix diagram reveal that ZrO2 (1¯11\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\overline{1 }11$$\\end{document}) is the most thermodynamically stable facet and is preferentially occupied by HO* at the equilibrium potential of oxygen evolution reaction (OER).Microkinetic modeling analyzed the OER activity of 40 single-metal doped ZrO2 and identified 16 metals exhibit improved catalytic activity, with Rh and Fe dopants showing the remarkable improvement.Thermodynamic free energy diagrams, density of states analysis, and ab initio molecular dynamics simulations further confirm that Fe–ZrO2 and Rh–ZrO2 are highly promising catalysts for OER, showcasing low ΔG for the rate-determining step, high conductivity, and exceptional stability.

Effect of doping TiO2 with Fe on the loading of a natural extract

This study explores the relationship between Fe doping in TiO2 nanoparticles and their capacity to load a natural citrus extract. Synthesized TiO2 (T) and TiO2-Fe (TF) nanoparticles were characterized using XRD patterns, N2 physisorption, UV–Vis and FTIR spectroscopy, and electron microscopy. Fe doping induced shifts in X-ray diffraction patterns and broadened absorption bands in UV–Vis spectra, reflecting changes in crystal structure and electronic transitions. BET analysis revealed increased surface area with Fe doping. Loading of the natural citrus extract was confirmed by FTIR. SEM and TEM images displayed slight morphological changes and a reduced nanoparticle size after Fe doping. Finally, Fe doped TiO2 demonstrated an improvement in loading ability with loading values up to 82.4%.