Incorporation Of Nd Research Articles

Surface Nd Sites Boost Charge Transfer of Fe2O3 Photoanodes for Enhanced Solar Water Oxidation.

Photoelectrochemical (PEC) water splitting for hydrogen production is a promising technology for sustainable energy generation. In this work, we introduce Nd sites boost the PEC performance of Fe2O3 photoanodes through a precise gas-phase cation exchange process, which substitutes surface Fe atoms with Nd. The incorporation of Nd significantly enhances charge transfer properties, increases carrier concentration, and reduces internal resistance, leading to a substantial increase in photocurrent density from 0.44 to 0.92 mA cm-2 at 1.23 VRHE. Further enhancement of catalytic activity was achieved by depositing a NiCo(OH)x layer and a photocurrent density of 1.15 mA cm-2 at 1.23 VRHE were obtained. Theoretical calculations corroborate these experimental results, revealing that Nd doping narrows the bandgap, improves charge separation efficiency, and lowers the reaction potential barrier, thereby accelerating water oxidation kinetics. These findings underscore the effectiveness of surface cation exchange and targeted metallic element doping in overcoming the intrinsic limitations of Fe2O3, providing a viable pathway for developing high-performance PEC systems for efficient hydrogen production.

Synergistic regulation of Nd2O3 doping and components accommodation to attain enhanced electrical performance in BiScO3-PbTiO3 high temperature ceramics

Nd2O3-modified BiScO3-PbTiO3 (Nd: BS-PT) ceramics were synthesized with the aim of augmenting the piezoelectric response. A comprehensive investigation was conducted to explore the impact of Nd and PT content on the structure, microstructure, and electrical properties of Nd: BS-PT ceramics. The introduction of Nd ions resulted in notable enhancements in the piezoelectric and dielectric properties of BS-PT ceramics. In the case of 0.02Nd: BS-0.64PT, the piezoelectric coefficient (d33) reached an impressive 550 pC/N. Furthermore, the room-temperature dielectric constants exhibited a continuous increase with rising Nd content. The relaxation behavior demonstrated a progressive augmentation corresponding to the increased Nd content. Conversely, both saturation polarization and remnant polarization exhibited a gradual decline with increasing Nd content. These variations are attributed to the refined microstructure and enhanced relaxation behavior induced by Nd doping. This innovative Nd: BS-PT ceramic demonstrates that judicious incorporation of Nd can markedly enhance the piezoelectric properties of BS-PT ceramics. Such a modification significantly augments the performance of BS-PT ceramics across various applications, notably in sensors and actuators.

Influence of the Incorporation of Nd in ZnO Films Grown by the HFCVD Technique to Enhance Photoluminiscence Due to Defects

In this work, optical–structural and morphological behavior when Nd is incorporated into ZnO is studied. ZnO and Nd-doped ZnO (ZnO-Nd) films were deposited at 900 °C on Silicon n-type substrates (100) by using the Hot Filament Chemical Vapor Deposition (HFCVD) technique. For this, pellets were made by from powders of ZnO(s) and a mixture of ZnO(s):Nd(OH)3(s). The weight percent of the mixture ZnO:Nd(OH)3 in the pellet is 1:3. The gaseous precursor generation was carried out by chemical decomposition of the pellets using atomic hydrogen which was produced by a tungsten filament at 2000 °C. For the ZnO film, diffraction planes (100), (002), (101), (102), (110), and (103) were found by XRD. For the ZnO-Nd film, its planes are displaced, indicating the incorporation of Nd into the ZnO. EDS was used to confirm the Nd in the ZnO-Nd film with an atomic concentration (at%) of Nd = 10.79. An improvement in photoluminescence is observed for the ZnO-Nd film; this improvement is attributed to an increase in oxygen vacancies due to the presence of Nd. The important thing about this study is that by the HFCVD method, ZnO-Nd films can be obtained easily and with very short times; in addition, some oxide compounds can be obtained individually as initial precursors, which reduces the cost compared to other techniques. Something interesting is that the incorporation of Nd into ZnO by this method has not yet been studied, and depending on the method used, the PL of ZnO with Nd can increase or decrease, and by the HFCVD method the PL of the ZnO film, when Nd is incorporated, increases more than 15 times compared to the ZnO film.

Advancing mechanical durability and radiation shielding properties in Silicon dioxide (SiO2) glasses through various incorporations: A comparative analysis

Silicon dioxide (SiO2) glasses, known for their high thermal stability, excellent optical transparency, and substantial mechanical strength, are crucial in numerous technological applications, including radiation shielding. This research explores the impact of compositional variations in SiO2-based glasses on their mechanical and radiation shielding properties, particularly focusing on the inclusion of heavy metal oxides (HMO) and rare earth elements (REE) like neodymium (Nd). Through the systematic investigation of fifteen distinct glass samples with varying concentrations of specific oxides and elements, we investigate the compositional changes and their influence on physical properties and their effectiveness in attenuating radiation. Our findings demonstrate that the incorporation of Nd significantly enhances the glass's radiation shielding capabilities. Glasses doped with Nd exhibited higher effective atomic numbers and electron densities, which translate to superior attenuation characteristics at lower photon energies. This is highlighted by the exceptional performance of the 20Nd sample, showing the lowest exposure build-up factors (EBF) at 10 mean free paths (mfp), indicating its potential as a premier candidate for shielding applications against various energy levels of radiation. Moreover, the variation in the Elastic Modulus of the glass samples underscores the significant impact of the glass matrix composition on its mechanical properties, suggesting a delicate balance between network formers and modifiers in determining the glass properties. It can be concluded that the neodymium-doped SiO2-based glasses may be considered as targeted compositions in fine-tuning material properties to meet specific application requirements. As the demand for efficient radiation shielding materials grows across medical, industrial, and space exploration sectors, our findings provide a solid foundation for the development of new glass formulations tailored for enhanced mechanical properties and superior radiation protection levels.

Organization of malonamides from the interface to the organic bulk phase

Supramolecular organization of amphiphilic extractant molecules is involved in metal cation selectivity and separation kinetics during solvent extraction. The relationship between extractant associates/aggregates formed in the organic bulk phase and at the liquid–liquid interface is poorly understood even though it affects the extraction mechanism. The nanoscopic structures of the extraction systems N,N,N′,N′-tetrahexylmalonamide (THMA) in toluene and N,N′-dibutyl-N,N′-dimethyl-2-tetradecylmalonamide (DBMA) in n-heptane, used for either Pd(II) or Nd(III) selective extraction from an acidic aqueous phase, were examined. These systems present markedly different affinity for Pd(II) and Nd(III), and extraction kinetics. Extractant organization in the organic bulk phase and at the interface were compared by small-angle X-ray scattering, interfacial tension, and neutron reflectivity. THMA in toluene forms small associates in the organic bulk phase and accumulates in a diffuse layer at the interface, decreasing Pd(II) coordination probability and resulting in slow extraction. DBMA in n-heptane forms large aggregates and a compact, dense interfacial layer, resulting in rapid Pd(II) and Nd(III) extraction. Thus, Pd(II) extraction is driven by interfacial coordination alone, whereas the incorporation of Nd(III) into the core of large aggregates governs Nd(III) extraction in the interfacial layer. These results suggest that the interface should be described as a nanoscale interphase containing a high extractant concentration compared with the organic bulk phase.

Morphological, structural and luminescent characterization of Nd-doped ZnO nano- and microstructures grown by vapor-solid method

This work focuses on synthesizing neodymium-doped ZnO nano- and microstructures using the vapor–solid method. The efficiency of Nd incorporation into the ZnO lattice has been analyzed. The characterization was carried out using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), cathodoluminescence (CL), μ-photoluminescence (μ-PL) and Raman Spectroscopy (RS). The formation of the solid solution corresponding to a hexagonal wurtzite phase of ZnO was observed for the samples doped with 1% and 5% wt. Additional phases related to neodymium oxides were also detected in the samples doped with 10% wt. The incorporation of Nd in the Zn lattice has been monitored by means of EDS, CL and XRD. The main changes observed are the increase of the lattice parameter as the Nd content increases, the changes in the morphology of micro- and nanostructures, and the influence on the luminescent properties with higher intensity of Nd intraionic lines.

Effect of neodymium (Nd) doping on the photocatalytic organic dye degradation performance of sol-gel synthesized CoFe2O4 self-assembled microstructures

Trivalent Neodymium doped CoFe2O4 was investigated as the potent photocatalyst for wastewater treatment. The CoFe2O4 and Nd-doped CoFe2O4 with various concentrations, such as 5, 10, and 15%, were prepared to employ the sol-gel technique. Structural characterization of the synthesized materials was done by powder X-ray Diffraction and Raman studies. The optical UV–Visible spectroscopy provides the optical properties of CoFe2O4 and Nd-doped CoFe2O4 and the XPS spectra, which identify the constituting elements with their oxidation states, confirm the incorporation of Nd into the CoFe2O4 lattice. SEM was performed to investigate their surface morphology, showing the self-assembled microstructures of CoFe2O4. The dye degradation process was investigated for the synthesized samples with methylene blue dye using UV–Visible spectroscopy, which reveals the photocatalytic performance of pure CoFe2O4 and Nd doped CoFe2O4 by measuring the absorbance of methylene blue at the same interval of time. The 5% Nd doped CoFe2O4 exhibits enhanced photocatalytic activity with a degradation efficiency of 72% within 4 h, which is higher than the pure sample. Outcomes indicates that the synthesized material can be useful in wastewater treatment.

The role of Nd as a dopant in Mn3O4NPs on the heat induction of artificial breast tissue due to the irradiation of microwaves

Manganomanganic oxide nanoparticles (Mn3O4NPs) were synthesized by one-step spray pyrolysis. Nd contents were explored in 0.1%, 0.2%, 0.4%, 0.6%, and 0.8% of the total mass of Mn3O4NPs. The nanoparticles were obtained with an average size of 45.35 nm ± 08.2 nm (measured by dynamic light scattering). The X-ray results demonstrated the incorporation of Nd as a dopant in the Mn3O4 phase. The Nd promoted oxygen deficit into the Mn3O4 crystalline network from 66.82 to 73.21 atom %. The distribution of Nd–Mn3O4NPs under the artificial breast tissue (ABT) was explored by mixing the following rates of NPs/ABT: 1 μg/mL, 50 μg/mL, 150 μg/mL, 300 μg/mL, and 600 μg/mL. Nd contents influenced the spatial distribution of nanoparticles into the ABT. The X-ray photoelectron spectroscopy results suggested that Nd doping promotes a modification in the density of Mn−3 ions and increments the density of O2− ions in the Mn3O4NPs. Findings suggested that a high density of O2− ions could be linked with heat enhancement by microwave absorption in Mn3O4 based materials. The Mn3O4NPs with Nd contents of 0.4% showed suitable properties to be applied in novel therapy routes for breast cancer treatment based on hyperthermia induction by microwave irradiation due to heat enhancement between 42 °C and 46 °C in the lowest time.

The promotional role of Nd on the catalytic activity and hydrothermal stability of Cu-SAPO-18 catalyst for NH3-SCR reaction

The Cu-SAPO-18 was prepared by the one-pot method and modified through hydrothermal post-treatment, metal-doped Nd(x)/Cu-SAPO-18 (x = 0.4, 0.8, 1.2, 1.6) catalysts were obtained. The catalytic performance of fresh and aged Nd(x)/Cu-SAPO-18 was evaluated by ammonia selective catalytic reduction (NH3-SCR) reaction. The NOx conversion rate of Nd (1.2)/Cu-SAPO-18 was highest. More than 94.5% NOx conversion was maintained over the aged Nd(x)/Cu-SAPO-18 during 250–450°C, which was almost 10% higher than the conversion of aged Cu-SAPO-18. Various techniques including XRD, XRF, BET, SEM, 27Al MAS NMR, XPS, UV-vis, NH3-TPD, H2-TPR, were applied to explore the effect of Nd content on the physiochemistry property of Cu-SAPO-18. The addition of Nd effectively maintained the relatively large specific surface area and uniform pore size distribution. Moreover, the dealumination progress of Cu-SAPO-18 was mitigated and the aggregation of copper species during hydrothermal aging process was restrained. Thus, Nd(x)/Cu-SAPO-18 owed less CuOx and more amount of isolated Cu2+ ions, which stabilized catalyst structure by entering the double 6-membered ring (D6R). Meanwhile, the incorporation of Nd enhanced the redox property and stabilised surface acid sites of Cu-SAPO-18, which were responsible for facilitating the adsorption and activation of reactants.

Highly active Nd-promoted Ni@Al2O3 core-shell catalyst for steam reforming of acetic acid: Insights of the remarkable coke resistance

Aiming at enhancing the coke resistance of Ni-based catalysts, the Nd-doped Ni@A2O3 core-shell catalysts were prepared and their catalytic performance was evaluated in the steam reforming of acetic acid (SRAA). The catalysts were characterized by BET, XRD, XRF, HRTEM, H2-TPR, NH3-TPD, and DTG. The catalytic performance was greatly enhanced by the incorporation of Nd, with decreased yields of CO, CH4, and acetone, increased yield of CO2, and remarkable carbon resistance. The decoking behavior of the spent catalyst was elucidated by H2O18-TSD. A low reaction temperature facilitates the formation of amorphous carbon, leading to catalyst deactivation. The decoking ability of the catalyst is greatly improved by the Nd incorporation but is also catalyzed by the exposed Ni surface. The Ni0.01Nd@Al catalyst greatly balanced the exposed Ni surface and the mobile lattice oxygen, showing the highest catalytic activity, lowest coke deposition, and superb decoking ability.

Continuous trap distribution and variation of optical properties with concentration in oxi-fluoroborate glass doped with Nd3+

Alkaline earth borate glasses are being studied due to their interesting structure and properties. Here, the optical properties of some barium oxyfluoride glasses are reported. The absorption spectra by means of Judd Ofelt theory, the room temperature luminescence, and the thermoluminescence (TL) response as a function of dopant concentration were studied. The effect of the concentration on the thermal stability and the glass structure was also analyzed. The incorporation of Nd 3+ affects not only the optical properties but also the thermal ones. From Raman spectroscopy, no great differences were observed among undoped and doped glass samples. Judd-Ofelt parameters are lower or comparable to other borate and silicate systems. The temperature of the maximum intensity on the TL curve does not change with the irradiation dose, indicating samples follow a first-order kinetic model. However, the detailed TL analyses evidenced a continuous distribution of the activation energy and the signal stability after irradiation was also studied and interpreted in the same way. The results presented here indicate that the oxy-fluoride borate glasses are promising materials for TL applications.

Structural, Optical and Dielectric Properties of Nd Doped NiO Thin Films Deposited with a Spray Pyrolysis Method

The effect of Nd doping (1, 3 and 5 wt%) on the structural, morphological, electrical and optical properties of NiO thin films deposited on glass substrates using nebulizer spray pyrolysis method are investigated. The X-ray diffraction study reveals cubic structure with an improvement in crystallinity upon the incorporation of Nd into NiO lattice. The films are > 50% transparent in the high wavelength region. The absorption spectra witnesses a sharp fall in the wavelength range, 300 nm < λ < 600 nm reflecting the semiconducting nature of these films. The optical direct (indirect) band gap values obtained using Tauc’s relation decrease from 3.67 eV (3.00 eV) for pure NiO to 3.38 eV (2.44 eV) for 3 wt% Nd:NiO. The linear refractive index (n) values estimated using different models are compared. Using the average linear refractive index along with optical direct band gap, the high-frequency and static dielectric constants; the linear and non-linear optical susceptibilities and non-linear refractive index are calculated. It is observed that all these quantities enhance with Nd doping whereas the static dielectric constant decreases with an increase in Nd content. The high frequency dielectric constant and static dielectric constant values are observed to vary between 5.08–5.45 and 51–32, respectively. The values of linear and non-linear optical susceptibilities and non-linear refractive index are found vary between 0.325–0.354, 1.90 × 10–12–2.67 × 10–12 esu and 3.17 × 10–11–4.31 × 10–11 esu, respectively.

The role of defects association in structural and transport properties of the Ce1−(Nd0.74Tm0.26) O2−/2 system

Evidence for two distinct conduction regimes comes from experimental investigations on co-doped Ce 1− x (Nd 0.74 Tm 0.26 ) x O 2− x /2 (0.1≤ x ≤0.6) system. At low temperature defects mainly associate as 1 V O . . 2 T m C e ' , trimers, which dissociate above 750 K inducing a lower activation energy. An experimental investigation of the crystallographic, Raman and transport properties of the Ce 1− x (Nd 0.74 Tm 0.26 ) x O 2− x /2 (0.1 ≤ x ≤ 0.6) doped ceria system was performed with the aim of setting out correlations between structural features and ionic conductivity of the material. The chosen composition ensures that the average size of the Nd 3+ and Tm 3+ doping ions coincides with the one of Sm 3+ ; even so, the studied system presents larger cell parameters and a wider compositional extent of the CeO 2 -based solid solution than Sm-doped ceria. Moreover, the occurrence of two different activation energies to ionic conduction below and above ~750 K determines the existence of two distinct conduction regimes. The described experimental results agree with the formation below the threshold temperature of 1 V O . . 2 T m C e ' trimers, which promote the incorporation of Nd C e ' isolated defects into the CeO 2 -based solid solution. In the high temperature range the dissociation of trimers induces the appearance of a lower activation energy; the extrapolation of its value at infinite dilution provides a result in good accordance with the expected binding energy of 1 V O . . RE C e ' dimers, pointing at their stability even in the high temperature conduction regime.

Polyamide-nanodiamond filament

Preparation and characterization of nanodiamond dispersed polyamide-based filament were investigated. The nanocomposite filaments exhibited enhanced thermomechanical properties. Transmission electron microscopy (TEM) images showed the ND particles were uniformly distributed in PA matrix, resulting in uniform stress distribution and transfer of applied stress from matrix to reinforcement. This structure lead to the enhancement of tensile strength and toughness of nanocomposite filaments. Furthermore, incorporation of ND into the PA matrix resulted in higher thermal stability, by delaying the thermal degradation of the PA matrix. This composite has a potential for high performance application.

The incorporation of Nd or Ce in CaZrTi2O7 zirconolite: Ceramic versus glass-ceramic

Three sets of the zirconolite ceramic and glass-ceramic systems have been investigated including Ca1−xZr1−xNd2xTi2O7, Ca1−xNdxZrTi2-xAlxO7 and CaZr1−xCexTi2O7 (x = 0 − 0.5). The zirconolite formation is compared between ceramics sintered at 1300 °C for 12 h and glass-ceramics sintered at 1250 °C for 3 h. Powder X-ray diffraction, Raman and scanning electron microscopy techniques are used to analyze the crystal structure, morphologies and composition distribution. Ca1−xNdxZrTi2-xAlxO7 can incorporate 0.5 formula unit of Nd in dominant zirconolite in both ceramic and glass-ceramic samples with baddeleyite as minor phase and slight amount of sphene in glass-ceramics, with more than 86% of the Nd initially introduced staying in zirconolite phase. Less Nd can be doped in zirconolite dominated Ca1−xZr1−xNd2xTi2O7 system with perovskite as a minor phase in ceramics and sphene as a minor phase in glass-ceramics. Only small amounts of Ce (x ≤ 0.1) can be incorporated in CaZr1−xCexTi2O7 zirconolite ceramic and glass-ceramics without obvious minor phases.

Sea-ice control on deglacial lower cell circulation changes recorded by Drake Passage deep-sea corals

The sequence of deep ocean circulation changes between the Last Glacial Maximum and the Holocene provides important insights for understanding deglacial climate change and the role of the deep ocean in the global carbon cycle. Although it is known that significant amounts of carbon were sequestered in a deep overturning cell during glacial periods and released during deglaciation, the driving mechanisms for these changes remain unresolved. Southern Ocean sea-ice has recently been proposed to play a critical role in setting the global deep ocean stratification and circulation, and hence carbon storage, but testing such conceptual and modelling studies requires data constraining past circulation changes. To this end, we present the first deglacial dataset of neodymium (Nd) isotopes measured on absolute-dated deep-sea corals from modern Lower Circumpolar Deep Water depths in the Drake Passage. Our record demonstrates deglacial variability of 2.5 εNd units, with radiogenic values of up to εNd=−5.9 during the Last Glacial Maximum providing evidence for a stratified glacial circulation mode with restricted incorporation of Nd from North Atlantic Deep Water in the lower cell. During the deglaciation, a renewed Atlantic influence in the deep Southern Ocean is recorded early in Heinrich Stadial 1, coincident with Antarctic sea-ice retreat, and is followed by a brief return to more Pacific-like values during the Antarctic Cold Reversal. These changes demonstrate a strong influence of Southern Ocean processes in setting deep ocean circulation and support the proposed sea-ice control on deep ocean structure. Furthermore, by constraining the Nd isotopic composition of Lower Circumpolar Deep Water in the Southern Ocean, our new data are important for interpreting deglacial circulation changes in other ocean basins and support a spatially asynchronous return of North Atlantic Deep Water to the deep southeast and southwest Atlantic Ocean.

Unequivocal evidence of enhanced room temperature sensing properties of clad modified Nd doped mullite Bi2Fe4O9 in fiber optic gas sensor

Multiferroic systems are widely evaluated in gas sensing applications recently due to its multifunctional properties and cost effectiveness. In this study, pristine Bi2Fe4O9 (BFO) and 3% of Neodymium (Nd) doped mullite Bi2Fe4O9 (BNFO3) was synthesized using conventional solid state route. Further, energy dispersive spectroscopy (EDS) and X-ray photo electron spectroscopic (XPS) analysis, confirms the incorporation of Nd in BFO without any undesired chemical contamination. In addition, X-ray diffraction (XRD) studies revealed polycrystalline orthorhombic mullite structure of BFO with traces of mixed phases. Also, lattice distortion in BNFO3 was observed as a consequence of Nd doping, which is further confirmed by Raman spectra phonon modes. The gas sensing potential of BFO and BNFO3 samples were studied using clad modified fiber optic gas sensing setup with 4 different volatile gases (ammonia, ethanol, acetone and methanol) at varying concentrations (0–500 ppm). BNFO3 sensor showed highest sensitivity to ammonia gas with percentage sensitivity of about 20% for 500 ppm at room temperature. In addition, the sensor exhibited rapid response and recovery time of about 40 s and 48 s respectively compared to BFO. In brief, BNFO3 clad modified fiber optic sensor can potentially be utilized in sensing ammonia for industrial applications.

Structural, Optical, Dielectric, and Magnetic Characteristics of Nd Ions Substituted BaFe11(Sn0.5Mg0.5)xO19 M-Type Hexaferrite via Co-precipitation

Nanoparticles (NPs) of barium hexaferrite were synthesized by a chemical co-precipitation technique in an aqueous solution with a nominal composition of BaFe11(Sn0.5Mg0.5)1−xNdxO19 (x = 0, 0.5, 1). XRD and FTIR analyses were performed to study the crystal structure of the magnetic powders (MPs) in order to obtain details on the hexaferrite structure. Grain morphology and elemental composition were assessed by SEM and EDS, respectively, and nano-sized hexagonal platelet-like structures in all MPs were demonstrated. All of the structural parameters such as “a”, “c”, V(cell) and Dx have been altered with successful incorporation of Nd into hexagonal lattices, thereby the band gap Eg first increased x ≤ 0.5 then decreased up to x = 1 (i.e., drawn via a Tauc plot) from 1.53–1.82 eV. The measurements of dielectric properties depict relaxation behavior at higher frequencies. The dielectric measurements increase with increased hexaferrite. Furthermore, the magnetic properties of all MPs were examined by VSM at room temperature (RT). The saturation magnetization (Ms), remnant magnetization (Mr), and coercivity (Hc) were linearly decreased by the SnMg content, whereas an increasing trend appeared with the additional Nd content. However, the squareness ratio increased with an increase in the content (x). These outcomes make this substitution an excellent candidate for multiple applications such as optical, electrical-based devices, circulators, and recording materials.

Role of rare-earth (Nd3+) ions on structural, dielectric, magnetic and Mossbauer properties of nano-sized CoFe2O4: useful for high frequency application

The glycine nitrate technique is used to synthesis a series of Neodymium substituted Cobalt Ferrite samples i.e. Co1-xNdxFe2O4 (x = 0, 0.1, 0.3, 0.5, 0.7). XRD, FT-IR, TEM, VSM and Mössbauer spectrum was carried out to investigate the structural, morphological and magnetic properties. Crystallite sizes calculated from the XRD patterns exhibited a decreasing trend with the increase in Nd content and was in good agreement with FESEM results. Temperature-dependent dielectric properties: dielectric constant (ε′), dielectric loss (ε″) and resistivity and activation energy were studied as a function of applied frequency in the range from 100 Hz to 1 MHz. The conductivity measurements divulge the semiconducting characteristic of the synthesised sample. The dielectric study indicated the dielectric dispersion curve to have possessed typical dielectric dispersion which can be explained on the basis of Koop’s theory based on the Maxwell–Wagner model. Incorporation of Nd in Cobalt nanoferrite significantly enhances the dielectric properties providing a gateway to high frequency device based application. The magnetic properties reveal a strong dependence on the grain size where the saturation magnetization reduced with the average particle size.

Effects of Nd doping on the mechanical properties and electronic structures of Gd2Zr2O7: a first-principles-based study

Doping of cations in A2B2O7-type pyrochlores, either on A or B site, can modify the physical properties of compounds significantly. In this work, the structural, thermo-mechanical and electronic properties of Nd-doped Gd2Zr2O7 pyrochlores (Gd2−yNdyZr2O7 and Gd2Zr2−yNdyO7) have been investigated by density functional theory calculations. It is found that the Nd incorporation into Gd-site leads to the formation of Gd2Zr2O7-Nd2Zr2O7 solid solutions, which remain the pyrochlore-type structures, whereas the introduction of Nd into Zr-site induces a pyrochlore-to-defect fluorite structural transition. Further calculations show that Nd substitution for Gd-site has a minor effect on the thermal–mechanical and electronic properties of Gd2Zr2O7. However, incorporation of Nd into Zr-site results in smaller Young’s modulus, better ductility, stronger elastic anisotropy and lower Debye temperature than pure Gd2Zr2O7. In addition, the incorporation of Nd into Zr-site results in an increasing number of electrons locating at the Fermi level with the increasing concentration of substitutional Nd atoms, which eventually leads to an insulating-to-metallic transition. This study suggests that incorporation of Nd into Zr-site can be an alternative way to tune the mechanical, electronic, and thermal properties of Gd2Zr2O7.