Conductivity Of Semiconductors Research Articles

Amorphous Ga2O3 Semiconductor: A New Solution for Robust X‐Ray Dosimeters

AbstractAs most commonly used miniature solid‐state dosimeter, metal‐oxide‐semiconductor field effect transistors (MOSFETs) have been facing unavoidable gate leakage and robustness problems due to the double‐sided role of traps in oxide insulators. Herein, a new solution for X‐ray dosimeter has been proposed which leverages the conductivity change of amorphous Ga2O3 (a‐Ga2O3) channel instead of charge trapping in oxide insulators. Increasingly negatively‐shifted threshold voltage (Vth) of a‐Ga2O3 thin‐film transistor is recorded together with almost unchanged subthreshold swing (SS) and field‐effect mobility (µFE) after X‐ray irradiations. X‐ray‐induced‐variation of oxygen vacancy (VO) related defects in a‐Ga2O3 is revealed after a combined investigation of X‐ray photoelectron spectroscopy (XPS) and neutron reflectivity (NR) measurements, contributing to the indicative Vth shift related with X‐ray dosage. A functional recovery is realized through an annealing process in air condition, showing the high reliability of a‐Ga2O3 semiconductor. Moreover, the unique merit of no need for power supply during X‐ray irradiations, beneficial from the slow neutralization rate of ionized VO related defects, imparts an offline working capability to the dosimeter. This work provides a potential strategy to monitor X‐ray dosage via utilizing the X‐ray‐induced change of amorphous oxide semiconductor conductivity, hence addressing the reliability and repeatability issues in present MOSFET devices.

Origin of the strong anharmonic-induced abnormal thermal conductivity in semiconductors

Abstract Semiconducting materials are the foundations of electronics and optoelectronics, and their heat management guides the design of highly efficient devices. For most semiconductors, the thermal conductivity of materials composed of light chemical species is higher than that of the iso-structured materials with heavy elements. For example, bulk Si shows a thermal conductivity higher than Ge. However, for many copper-based compounds, e.g. Cu halides, the thermal conductivity increases monotonously as the atomic number of halogens increases. On the other hand, for lead chalcogenides, the thermal conductivity of PbSe is lower than PbS and PbTe. In this work, we reveal that the combined effect of electronic states coupling and phonon collisions, giving rise to strong anharmonicity, is responsible for the abnormal trend of thermal conductivity of Cu halides and Pb chalcogenides. From CuCl to CuBr and CuI, the increasing thermal conductivity is due to the decreasing electronic coupling strength between Cu-occupied 3d and unoccupied 4s states when crystal symmetry is reduced, which leads to the increase of atomic vibrational potential energy and reduction of lattice anharmonicity. In Pb chalcogenides, the unusually lower thermal conductivity of PbSe than PbTe and PbS is mainly due to the intensive scattering between phonons caused by the localized transverse acoustic modes and soft optical modes, which outweigh the contribution of the crystal anharmonicity due to the anharmonic potential energy surface.

Revisiting Band Tails and Localized States in Amorphous Semiconductors

Amorphous semiconductors, such as hydrogenated amorphous silicon (a-Si:H) and amorphous indium gallium zinc oxide (a-IGZO) have been central to the development of thin film transistors (TFTs) for large-area electronic applications such as displays. This is a result of the exceptional material uniformity that can be achieved when depositing over very large areas (~10 m2). This means that all TFTs are essentially identical over an entire large display panel. However, there is a technological price to pay – the carrier mobility is generally less in amorphous semiconductors compared to their crystalline equivalent.The origin of this reduced carrier mobility is a result of a key difference in the density of states between crystalline semiconductors and their amorphous counterparts. The long-range order of a crystalline lattice means that all carrier states in the conduction and valence bands exist over long distances. These ‘extended states’ are associated with generally high mobility carriers. However, there is no long-range order in amorphous semiconductors, but only short-range order over one to two bond lengths associated with local atomic coordination requirements (and to some degree a medium-range order over a few bond lengths). The result is that the bottom of the conduction band and top of the valence band gain ‘tail’ states which are localized in nature.Not only do these localized states frequently dominate (or at least significantly affect) conduction in amorphous semiconductors and hence the switching characteristics of TFTs, but they also have a role to play in other important processes such as hysteresis and bias stress instability. But what are these localized band tail states, how should we think about them in the context of conduction and how do they relate to extended states?These questions are revisited from the starting point that there is a perturbation in the delocalized charge concentration with position in an amorphous semiconductor compared to its crystalline counterpart, and this can be quantified as a spatially varying excess charge concentration (where a deficit is just a negative excess). The rate of spatial variation is long relative to the rate of change in the electron wavefunction, and reflects the short- and medium-range order distances. Charge conservation means that that this excess charge concentration will have a mean of zero and a Gaussian probability distribution is assumed. A model using this as a starting point has been created which reproduces band tails and which provides new insights into their physics which are discussed.

Novel Structures for PV Solar Cells: Fabrication of Cu/Cu2S-MWCNTs 1D-Hybrid Nanocomposite.

The production of cost-effective novel materials for PV solar cells with long-term stability, high energy conversion efficiency, enhanced photon absorption, and easy electron transport has stimulated great interest in the research community over the last decades. In the presented work, Cu/Cu2S-MWCNTs nanocomposites were produced and analyzed in the framework of potential applications for PV solar cells. Firstly, the surface of the produced one-dimensional Cu was covered by Cu2S nanoflake. XRD data prove the formation of both Cu and Cu2S structures. The length and diameter of the one-dimensional Cu wire were 5-15 µm and 80-200 nm, respectively. The thickness of the Cu2S nanoflake layer on the surface of the Cu was up to 100 nm. In addition, the Cu/Cu2S system was enriched with MWCNTs. MWCNs with a diameter of 50 nm interact by forming a conductive network around the Cu/Cu2S system and facilitate quick electron transport. Raman spectra also prove good interfacial coupling between the Cu/Cu2S system and MWCNTs, which is crucial for charge separation and electron transfer in PV solar cells. Furthermore, UV studies show that Cu/Cu2S-MWCNTs nanocomposites have a wide absorption band. Thus, MWCNTs, Cu, and Cu2S exhibit an intense absorption spectrum at 260 nm, 590 nm, and 972 nm, respectively. With a broad absorption band spanning the visible-infrared spectrum, the Cu/Cu2S-MWCNTs combination can significantly boost PV solar cells' power conversion efficiency. Furthermore, UV research demonstrates that the plasmonic character of the material is altered fundamentally when CuS covers the Cu surface. Additionally, MWCN-Cu/Cu2S nanocomposite exhibits hybrid plasmonic phenomena. The bandgap of Cu/Cu2S NWs was found to be approximately 1.3 eV. Regarding electron transfer and electromagnetic radiation absorption, the collective oscillations in plasmonic metal-p-type semiconductor-conductor MWCNT contacts can thus greatly increase energy conversion efficiency. The Cu/Cu2S-MWCNTs nanocomposite is therefore a promising new material for PV solar cell application.

Relation between critical exponent of the conductivity and the morphological exponents of percolation theory.

A central unsolved problem in percolation theory over the past five decades has been whether there is a direct relationship between the critical exponents that characterize the power-law behavior of the transport properties near the percolation threshold, particularly the effective electrical conductivity σ_{e}, and the exponents that describe the morphology of percolation clusters. The problem is also relevant to the relation between the static exponents of percolation clusters and the critical dynamics of spin waves in dilute ferromagnets, the elasticity of gels and composite solids, hopping conductivity in semiconductors, solute transport in porous media, and many others. We propose an approach to address the problem by showing that the contributions to σ_{e} can be decomposed into several groups representing the structure of percolation networks, including their mass and tortuosity, as well as constrictivity that describes the fluctuations in the driving potential gradient along the transport paths. The decomposition leads to a relationship between the critical exponent t of σ_{e} and other percolation exponents in d dimensions, t/ν=(d-D_{bb})+2(D_{op}-1)+d_{C}, where ν, D_{bb}, D_{op}, and d_{C} are, respectively, the correlation length exponent, the fractal dimensions of the backbones and the optimal paths, and the exponent that characterizes the constrictivity. Numerical simulations in two and three dimensions, as well as analytical results in d=1 and d=6, the upper critical dimension of percolation, validate the relationship. We, therefore, believe that the solution to the 50-year-old problem has been derived.

Modelling of Power Semiconductor Devices Switching and Conduction Losses in a Power Electronic System

In power converters, power semiconductor devices, mainly Insulated-Gate Bipolar Transistor (IGBT), are generally used as they are less costly and capable of converting electrical energy into high frequency and voltage. It is critical to accurately determine the switching and conduction losses of power devices before they are assembled into an electronic system. The accurate values help to minimize power loss in a power converter system. With the aid of simulation, design problems are identified to help eliminate device destruction, and critical parameters are monitored. In addition, costly equipment for measuring purposes and testing prototypes is not required at the initial design stage. This research uses simulation work in a power converter system to predict IGBT and diode losses with varied frequencies and voltages. The predictive modelling is produced using regression analysis. The models have been validated by R square (R2) and Mean Absolute Percentage Error (MAPE) techniques. This work is aimed at providing a supervised learning technique mainly used in a machine learning environment, in line with the technological development in the semiconductor industry. With the simulation performed in this work, the efficiency of a boost converter system is enhanced as it shows the models have a good fit with an R2 value of almost 1, and MAPE values are noticed to be less than 5%.

How Oxygen Deficiency and Its Ordering Control Electrical Conductivity in Sr2-x Ca x Fe2O6-δ Perovskites as Related to Water Oxidation Electrocatalysis.

We report on the analysis of oxygen vacancies (OVs) content and ordering of Sr2-x Ca x Fe2O6-δ perovskites and explain how OVs change the electrical conductivity and oxygen evolution catalytic activity of these compounds. The structure and OV content are tuned by controlling the A-site composition and the reaction atmosphere. X-ray diffraction (XRD) and thermogravimetric analysis (TGA) are used to identify the crystal structures and to quantify bulk oxygen vacancy contents. Our analysis shows that OV content and crystal structure govern the electronic transport properties of the Sr2-x Ca x Fe2O6-δ system. The electrical conductivity of oxygen-deficient perovskites (ODPs) is significantly higher than those in brownmillerites (by at least 2 orders of magnitude). Seebeck coefficient measurements identified that the Sr-rich ODPs and brownmillerites are p-type semiconductors, while Ca-rich brownmillerites are either insulators (within the experimental temperature range) or p-type semiconductors at lower temperatures (<750 K). Electrical conductivity of p-type semiconductors (Sr-rich compounds) reduces with higher OV content, and in brownmillerites with x ≥ 1.25, a transition to n-type semiconductor is observed at temperatures above 750 K. Our analysis shows that the hole and electron concentrations are similar in these brownmillerites, indicating major contributions from ionic transport. Finally, we show how oxygen deficiency alters the electrical conductivity and catalytic activity of the Sr2-x Ca x Fe2O6-δ system in noncomplementary ways.

Carrier-Carrier Repulsion Limits the Conductivity of N-Doped Organic Semiconductors.

Molecular doping is a key strategy to enhance the electrical conductivity of organic semiconductors. Typically, the electrical conductivity shows a maximum value upon increased doping, after which the conductivity decreases. This decrease in conductivity is commonly attributed to unfavorable changes in the morphology. However, in recent simulation work, has shown, that the conductivity-at high doping-is instead limited by electron-electron repulsion rather than by morphology, at least for some material combinations. Based on the simulations, this limitation is expected to show up in the dependence of the Seebeck coefficient versus carrier density: the Seebeck coefficient will follow Heike's formula if carrier-carrier repulsion limits the conductivity. Here, the electrical conductivity and Seebeck coefficient are measured as a function of doping for a series of n-type organic semiconductors. Additionally, the resulting carrier density is measured using metal-insulator-semiconductor diodes, which link dopant loading and the number of charge carriers. At high carrier densities, the Seebeck coefficient indeed follows Heike's formula, confirming that the conductivity is limited by carrier-carrier repulsion rather than by morphological effects. This study shows that current models of hopping transport in organic semiconductors may be incomplete. As a result, this study offers novel insights in the design of organic semiconductors.

Influence of metal ion doping for the electrochemical performance of NiCo layered double hydroxide nanostructures

Layered double hydroxide (LDH) is considered to be a potential energy storage material due to its high theoretical specific capacitance and microstructure. However, poor conductivity restricts their application and development in energy storage devices. Considering metal cations doping as an effective way to improve conductivity of semiconductors, metal cations doping can also be used to improve the conductivity of LDH. In the study, metal ions with different valence states are selected and doped into the NiCo LDH nanostructures. Indeed, metal cations doping can improve the conductivity of NiCo LDH, which can be confirmed by the results of EIS analysis. But the corresponding changes in electrode capacity are different. Compared with the Ag+ and Zn2+, Al3+ ion doped in NiCo LDH can achieve significant improvement of capacity. The capacity can reach 2130 F/g at a current density of 2 A/g when the doping concentration of Al3+ is 0.02, which has 48 % improvement compared to the original NiCo LDH (1435 F/g). The improvement of conductivity dose not determine the increase of capacity, the type and valence states of elements are also key factors affecting material capacity. Therefore, this study provides an idea for the subsequent doping of metal cations in LDH materials.

(Invited) Fundamentals of Plasmon-Induced Charge Transfer in Semiconducting Materials: Showcasing OER Catalysis

Using Localized Surface Plasmon Resonance Effect for Enhancing Electrochemical reactions has been reported earlier both in terms of direct electron injection/transfer (DET) in outer-sphere reductive processes as well as charge injection into semiconductors via plasmon-induced resonant electron transfer processes (PIRE). While the former (DET) is mainly influenced by the lifetimes of the ejected hot electrons and their rapid cooling at the interface. For inner sphere reductive processes via the LSPR phenomenon, direct charge injection into the LUMO states of the adsorbed species is required. In this regard, it is imperative to distinguish between the inter-band charge transfer of the adsorbed species because of exposure to photons.In contrast to these charge injections into semiconductors via plasmon-induced resonant electron transfer processes (PIRE), they must be more understood and complex. In this presentation, we will use the well-known endothermic anodic oxygen evolution reaction (OER) in alkaline pH to showcase the fundamental aspects of charge injection and its effect on the hole-driven OER mechanism. For this well-known OER catalyst, layered double hydroxides of Ni with Fe and Co dopants will be used. The electrochemical enhancement of OER will be explained based on detailed structural motifs of the semiconductors, its band structure, and the resonance effect of Au induced by the LSPR effect. Direct and indirect bandgaps will be discussed in the context of three possible mechanisms: (i) Charge carriers are directly injected into the semiconductor via LSPR. The semiconductor's conduction band is usually (-0.1 to 0.0 eV vs. NHE), and the valence band is between (2.00 and 3.5 eV), corresponding to electron energy between -2.00 to 3.5 eV vs. NHE. For LSPR nanoparticles, SPR energy is between 1.0 and 4.0 eV. Also, the Fermi energy of LSPR is usually 0.0 vs. NHE. Hence, LSPR only enables energetic electrons to be transferred from metals to semiconductors. It is the interface between LSPR and the semiconductor which is important. Charge injection is more prevalent when metal LSPR is of lower energy than the semiconductor—direct electron transfer (DET). (ii) Transfer does not involve direct electron injection but via (a) near-field electromagnetic and (b) resonant photon scattering mechanism. This has been shown to work by adding a thin dielectric material between the LSPR and the semiconductor. This would be most likely in the case of OER, where surface-localized plasmons will be the most important determinant instead of recombination events in the bulk of the semiconductor. This is most important for OER as it depends on the surface hole concentration. It should be noted that larger nanoparticles (>50 nm) have increased resonant photon scattering. Such a mechanism is more prevalent when we overlap metal LSPR and semiconductor bands, leading to plasmon-induced resonant electron transfer (PIRET). (iii) When metal LSPR is in direct contact with the semiconductor, all three phenomena could be active.

Hierarchy of exchange-correlation functionals in computing lattice thermal conductivities of rocksalt and zinc-blende semiconductors

Hierarchy of exchange-correlation functionals in computing lattice thermal conductivities of rocksalt and zinc-blende semiconductors

Advanced extraction of PV parameters’ models based on electric field impacts on semiconductor conductivity using QIO algorithm

This article presents a novel approach for parameters estimation of photovoltaic cells/modules using a recent optimization algorithm called quadratic interpolation optimization algorithm (QIOA). The proposed formula is dependent on variable voltage resistances (VVR) implementation of the series and shunt resistances. The variable resistances reduced from the effect of the electric field on the semiconductor conductivity should be included to get more accurate representation. Minimizing the mean root square error (MRSE) between the measured (I–V) dataset and the extracted (V–I) curve from the proposed electrical model is the main goal of the current optimization problem. The unknown parameters of the proposed PV models under the considered operating conditions are identified and optimally extracted using the proposed QIOA. Two distinct PV types are employed with normal and low radiation conditions. The VVR TDM is proposed for (R.T.C. France) silicon PV operating at normal radiation, and eleven unknown parameters are optimized. Additionally, twelve unknown parameters are optimized for a Q6-1380 multi-crystalline silicon (MCS) (area 7.7 cm2) operating under low radiation. The efficacy of the QIOA is demonstrated through comparison with four established optimizers: Grey Wolf Optimization (GWO), Particle Swarm Optimization (PSO), Salp Swarm Algorithm (SSA), and Sine Cosine Algorithm (SCA). The proposed QIO method achieves the lowest absolute current error values in both cases, highlighting its superiority and efficiency in extracting optimal parameters for both Single-Crystalline Silicon (SCS) and MCS cells under varying irradiance levels. Furthermore, simulation results emphasize the effectiveness of QIO compared to other algorithms in terms of convergence speed and robustness, making it a promising tool for accurate and efficient PV parameter estimation.

Dynamical Symmetry-Reduction-Induced Giant Anharmonicity in IV-VI Compounds: Role of Cation Lone-Pair s Electrons.

The low thermal conductivity of group IV-VI semiconductors is often attributed to the soft phonons and giant anharmonicity observed in these materials. However, there is still no broad consensus on the fundamental origin of this giant anharmonic effect. Utilizing first-principles calculations and group symmetry analysis, we find that the cation lone-pairs s electrons in IV-VI materials cause a significant coupling between occupied cation s orbitals and unoccupied cation p orbitals due to the symmetry reduction when atoms vibrate away from their equilibrium positions under heating. This leads to an electronic energy gain, consequently flattening the potential energy surface and causing soft phonons and strong anharmonic effects. Our findings provide an intrinsic understanding of the low thermal conductivity in IV-VI compounds by connecting the anharmonicity with the dynamical electronic structures, and can also be extended to a large family of hybrid systems with lone-pair electrons, for promising thermoelectric applications and predictive designs.

Suppressed Lattice Thermal Conductivity in Haeckelite Compounds for High-Performance Thermoelectric Applications.

Traditional semiconductors are known to exhibit excellent electrical properties but oversized lattice thermal conductivities, thus limiting their thermoelectric performance. Herein, we have discovered a low-energy allotrope of those traditional semiconductors. Compared with the wurtzite structure, the lattice thermal conductivity is reduced by more than five times in the haeckelite structure. This is attributed to the softening of acoustic phonon modes and concurrently enhanced anharmonicity in the haeckelite structure. Benefiting from the suppressed lattice thermal conductivity while retaining the excellent electrical properties of wurtzite structure, haeckelite compounds have been proven to be a novel category of high-performance thermoelectric materials. As an excellent representative, haeckelite CdTe exhibits a peak figure of merit approaching 1.3 at n-type doping and high temperature, which experiences a 3-fold improvement compared with its wurtzite counterpart. This work provides an alternative pathway of engineering the lattice thermal conductivities of traditional semiconductors toward superior thermoelectric properties.

Art of Cross-Linking In Situ Bulk Perovskites for Efficient and Stable Photovoltaics.

Perovskites are hybrid materials containing templating organic linkers and inorganic halides with efficiencies that have superseded the efficiency of silicon-based photovoltaic devices (PVs) in a very short period of 10 years. Nevertheless, low ambient stability due to traps and ion migration caused hysteresis to remain the bottlenecks on the way to achieving higher operational stability with bulk perovskite-based PVs. In this context, herein we highlight the prospects of in situ cross-linking of linkers within the perovskite lattice either mediated by thermal means or attained photochemically that can maneuver the ambient as well as operational stability for enhanced power conversion efficiency for PV applications or could improve the conductivity of this hybrid semiconductor. Additionally, some important studies of additive engineering via in situ cross-linking that can affect the structure of perovskite in addition to defect passivation to endow ambient environment stability are highlighted herein.

Observation of 2D-magnesium-intercalated gallium nitride superlattices

Since the demonstration of p-type gallium nitride (GaN) through doping with substitutional magnesium (Mg) atoms1,2, rapid and comprehensive developments, such as blue light-emitting diodes, have considerably shaped our modern lives and contributed to a more carbon-neutral society3–5. However, the details of the interplay between GaN and Mg have remained largely unknown6–11. Here we observe that Mg-intercalated GaN superlattices can form spontaneously by annealing a metallic Mg film on GaN at atmospheric pressure. To our knowledge, this marks the first instance of a two-dimensional metal intercalated into a bulk semiconductor, with each Mg monolayer being intricately inserted between several monolayers of hexagonal GaN. Characterized as an interstitial intercalation, this process induces substantial uniaxial compressive strain perpendicular to the interstitial layers. Consequently, the GaN layers in the Mg-intercalated GaN superlattices exhibit an exceptional elastic strain exceeding −10% (equivalent to a stress of more than 20 GPa), among the highest recorded for thin-film materials12. The strain alters the electronic band structure and greatly enhances hole transport along the compression direction. Furthermore, the Mg sheets induce a unique periodic transition in GaN polarity, generating polarization-field-induced net charges. These characteristics offer fresh insights into semiconductor doping and conductivity enhancement, as well as into elastic strain engineering of nanomaterials and metal–semiconductor superlattices13.

Tunable metamaterials with carrier-induced effective permittivity for active control of electromagnetic fields in semiconductor manufacturing device

Precise control of electromagnetic fields is critical in many advanced manufacturing processes, such as those used in the semiconductor industry, where device performance relies on precision and uniformity. Here, we introduce a solution to control electromagnetic fields via permittivity modulation without the limitations of resonance-based approaches, through a patterned semiconductor enabling permittivity tuning via carrier-density modulation. This carrier-responsive metamaterial (CRM) exhibits frequency-independent performance over a broad frequency spectrum and significant permittivity tunability through controlled semiconductor conductivity. Furthermore, the conductivity response and the tuning range can be easily modulated through the variation of semiconductor materials and geometrical parameters. We present an intuitive model that explains the relationship between the CRM’s structure and properties, including its effective permittivity and loss tangent. Supported by comprehensive simulations and experimental validations, our findings show that the effective permittivity can be increased by over 3.5 times with low dielectric loss across a wide frequency range. As an application, we explore the CRM’s potential in plasma control, revealing its ability to influence plasma density nearly 30% by modulating its effective permittivity, exhibiting CRM’s versatile functionality and potential impact across diverse technological domains.

Qualitative Model of Electrical Conductivity of Irradiated Semiconductor

There is constructed a qualitative model of the electrical conductivity of semiconductors irradiated with sufficiently high-energy particles. At certain conditions (irradiation temperature and dose, and subsequent thermal treatment), high-energy particles fluence, in addition to primary and secondary point radiation defects, forms a number of nano-sized disordered regions, highly conductive (“metallic”) compared to the semiconductor matrix. Their high total volume fraction can lead to the charge major carriers’ effective Hall mobility significantly exceeding that of the matrix. Due to elastic stresses created by these disordered inclusions, a high concentration of point radiation defects tends to form defective shells. In certain temperature ranges, such nanosized core-shell structures act as capacitors storing the electric charge sufficient for the Coulomb blockade of the major current carriers. Transformation of high-conductive inclusions into low-conductive (“dielectric”) ones manifests in a noticeable decrease in effective Hall mobility. The proposed model qualitatively explains all the experimental data available on single-crystalline n- and p-type silicon irradiated with high-energy electrons and protons and isochronously annealed.

Polymetal-Chelated Fabrication of Bimetallic Nanophosphides as Electrocatalysts for Zinc-Air Batteries.

Bimetallic phosphides are considered as promising electrocatalysts for zinc-air batteries toward oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). To address the semi-conductor inherent low electronic conductivity and catalytic activity, a polymetal-chelated strategy is employed to in situ fabricate bimetallic nanophosphides within carbon matrix anchoring by chemical bonding. The employment of biomolecule polydopamine (PDA) efficiently anchors various transition metal ions due to its strong chelating capability via inherent functional groups. Furthermore, the chelation of multi-metal ion is proved to promote the formation of graphitic nitrogen. The bimetallic FexCoyP phosphides nanoparticles are intimately encapsulated in carbon matrix through in situ carbonization and phosphatization processes. When utilized in Zinc-air batteries, Fe0.20Co0.80P anchored within N, P co-doped sub-microsphere (Fe0.20Co0.80P /PNC) exhibit a maximum power density of 167mW cm-2 and cycle life up to 270 cycles, with a round-trip voltage of 0.955V. The mechanisms for catalytic activity passivation are ascribed to the etching of nitrogen and oxidation of phosphorus in carbon matrix, as well as the oxidation of the surface phosphide on the sub-microspheres. This study presents a promising candidate for advancing the further development of energy conversation catalysis.

Exploring the impact of multivalent substitution on high-temperature electrical conductivity in doped lanthanum chromite perovskites: An experimental and ab-initio study

Doped LaCrO3 perovskites hold promise as robust materials for electrical interconnects and sensor applications in harsh environments. In this work, we investigated the high-temperature behavior of La1–xSrxCrO3, La1–xCaxCrO3 and La0.8Sr0.2Cr1-x MnxO3 (0.1 ≤ x ≤ 0.4) through a combination of computational modeling and physical characterization up to 1500 °C. Crystalline structural properties were determined and compared with ab-initio calculations, which demonstrated excellent agreement with experimental findings. High-temperature electrical conductivity measurements were performed under different atmospheres. Calcium and strontium/manganese co-doped lanthanum chromites exhibited typical semiconductor exponential trends and conductivity showed proportional correlation with substitutions levels up to 30%. The DFT modelling was completed up to 1500 °C, including low and high temperature chromite phases and oxygen vacancies insertion. Calculations were correlated with experimental electrical properties. This work expands the understanding of doped lanthanum chromites and paves the way for the development of materials suitable for demanding high-temperature applications.