M. Hussein N. Assadi
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View article: Noncollinear Magnetism in Fe<sub>3</sub>O<sub>4</sub> Induced via Site‐Selective Rare‐Earth Substitution Boosting Its Saturation Magnetization
Noncollinear Magnetism in Fe<sub>3</sub>O<sub>4</sub> Induced via Site‐Selective Rare‐Earth Substitution Boosting Its Saturation Magnetization Open
Substituting rare‐earth Eu ions with a large atomic number into 3 d transition metal oxides can precisely control their magnetic properties through significant spin‐orbit coupling, leading to noncollinear magnetism. Experimental investigat…
View article: Tuning the Curie Temperature of Fe3O4 to Achieve Automated Magnetic Hyperthermia
Tuning the Curie Temperature of Fe3O4 to Achieve Automated Magnetic Hyperthermia Open
View article: Catalytic Synergy between Pd Nanoclusters and Ligand-Functionalized Layered Silicates for Improved Formic Acid Dehydrogenation
Catalytic Synergy between Pd Nanoclusters and Ligand-Functionalized Layered Silicates for Improved Formic Acid Dehydrogenation Open
The synthesis and stabilization of Pd nanoclusters on a support, as well as simultaneously achieving optimal catalytic activity, remain challenging tasks. Functionalizing the support surface with specific ligands offers a promising solutio…
View article: Insights into One-Dimensional Thermoelectric Materials: A Concise Review of Nanowires and Nanotubes
Insights into One-Dimensional Thermoelectric Materials: A Concise Review of Nanowires and Nanotubes Open
This brief review covers the thermoelectric properties of one-dimensional materials, such as nanowires and nanotubes. The highly localised peaks of the electronic density of states near the Fermi levels of these nanostructured materials im…
View article: Metal–Support Interaction in Pt Nanodisk–Carbon Nitride Catalyst: Insight from Theory and Experiment
Metal–Support Interaction in Pt Nanodisk–Carbon Nitride Catalyst: Insight from Theory and Experiment Open
Metal–support interaction plays a critical role in determining the eventual catalytic activity of metals loaded on supporting substrates. This interaction can sometimes cause a significant drop in the metallic property of the loaded metal …
View article: Oxygen Redox in Battery Cathodes: A Brief Overview
Oxygen Redox in Battery Cathodes: A Brief Overview Open
View article: Transforming Cl-Containing Waste Plastics into Carbon Resource for Steelmaking: Theoretical Insight
Transforming Cl-Containing Waste Plastics into Carbon Resource for Steelmaking: Theoretical Insight Open
The accumulation of waste plastics poses a significant environmental challenge, leading to persistent pollution in terrestrial and aquatic ecosystems. A practical approach to address this issue involves the transformation of postconsumer w…
View article: Templated Synthesis of Exfoliated Porous Carbon with Dominant Graphitic Nitrogen
Templated Synthesis of Exfoliated Porous Carbon with Dominant Graphitic Nitrogen Open
We present here a new approach for the synthesis of nitrogen-doped porous graphitic carbon (g-NC) with a stoichiometry of C6.3H3.6N1.0O1.2, using layered silicate as a hard sacrificial template. …
View article: Pd Thickness Optimization on Silicate Sheets for Improving Catalytic Activity (Adv. Mater. Interfaces 4/2023)
Pd Thickness Optimization on Silicate Sheets for Improving Catalytic Activity (Adv. Mater. Interfaces 4/2023) Open
Optimizing Pd-Catalyst Activity The cover image represents a plate-like Pd particle supported on layered silicate nanosheets that require at least six layers of assembly to exhibit a metallic character and hence, a maximum catalytic activi…
View article: Pd Thickness Optimization on Silicate Sheets for Improving Catalytic Activity
Pd Thickness Optimization on Silicate Sheets for Improving Catalytic Activity Open
Maximizing surface‐to‐body ratio demands ever smaller metallic palladium (Pd) nanoparticles for catalytic applications. The quest for miniaturization is now reaching the single‐atom limit. However, if the supported Pd is below a critical s…
View article: Ultrasonically-assisted synthesis of CeO2 within WS2 interlayers forming type II heterojunction for a VOC photocatalytic oxidation
Ultrasonically-assisted synthesis of CeO2 within WS2 interlayers forming type II heterojunction for a VOC photocatalytic oxidation Open
Here, we investigate the band structure, density of states, photocatalytic activity, and heterojunction mechanism of WS2 with CeO2 (CeO2@WS2) as a photoactive heterostructure. In this heterostruc…
View article: Charging/discharging mechanism in Mg3Bi2 anode for Mg-ion batteries; The role of the spin-orbit coupling
Charging/discharging mechanism in Mg3Bi2 anode for Mg-ion batteries; The role of the spin-orbit coupling Open
View article: Stability Trends in Mono-Metallic 3d Layered Double Hydroxides
Stability Trends in Mono-Metallic 3d Layered Double Hydroxides Open
Layered double hydroxides (LDHs) constitute a unique group of 2D materials that can deliver exceptional catalytic, optical, and electronic performance. However, they usually suffer from low stability compared to their oxide counterparts. U…
View article: Unusual ferrimagnetic ground state in rhenium ferrite
Unusual ferrimagnetic ground state in rhenium ferrite Open
View article: Bispropylurea bridged polysilsesquioxane: A microporous MOF-like material for molecular recognition
Bispropylurea bridged polysilsesquioxane: A microporous MOF-like material for molecular recognition Open
View article: Exceptionally high saturation magnetisation in Eu-doped magnetite stabilised by spin–orbit interaction
Exceptionally high saturation magnetisation in Eu-doped magnetite stabilised by spin–orbit interaction Open
The significance of the spin–orbit interaction is very well known in compounds containing heavier elements such as the rare-earth Eu ion.
View article: Cu-Modified SrTiO<sub>3</sub>Perovskites Toward Enhanced Water–Gas Shift Catalysis: A Combined Experimental and Computational Study
Cu-Modified SrTiO<sub>3</sub>Perovskites Toward Enhanced Water–Gas Shift Catalysis: A Combined Experimental and Computational Study Open
A water-gas shift reaction (WGS) is important and widely applied in the production of H2. Cu-modified perovskites are promising catalysts for WGS reactions in hydrogen generation. However, the structure-dependent stability and reaction pat…
View article: A review of recent progress in thermoelectric materials through computational methods
A review of recent progress in thermoelectric materials through computational methods Open
View article: High-Performance Thermoelectric Oxides Based on Spinel Structure
High-Performance Thermoelectric Oxides Based on Spinel Structure Open
High-performance thermoelectric oxides could offer a great energy solution for integrated and embedded applications in sensing and electronics industries. Oxides, however, often suffer from low Seebeck coefficient when compared with other …
View article: Molecular dynamics simulation of vacancy cluster formation in β- and α-Si3N4
Molecular dynamics simulation of vacancy cluster formation in β- and α-Si3N4 Open
View article: Suppression of magnetism and Seebeck effect in Na0.875CoO2 induced by SbCo dopants
Suppression of magnetism and Seebeck effect in Na0.875CoO2 induced by SbCo dopants Open
We examined the electronic property of Sb-doped Na 0.785 CoO 2 using density functional calculations based on GGA+ U formalism. We demonstrated that Sb dopants were the most stable when replacing Co ions within the complex Na 0.875 CoO 2 l…
View article: Coordination Polymer to Atomically Thin, Holey, Metal‐Oxide Nanosheets for Tuning Band Alignment
Coordination Polymer to Atomically Thin, Holey, Metal‐Oxide Nanosheets for Tuning Band Alignment Open
Holey 2D metal oxides have shown great promise as functional materials for energy storage and catalysts. Despite impressive performance, their processing is challenged by the requirement of templates plus capping agents or high temperature…
View article: Theoretical insights into the hydrophobicity of low index CeO2 surfaces
Theoretical insights into the hydrophobicity of low index CeO2 surfaces Open
View article: Oxygen Redox Promoted by Na Excess and Covalency in Hexagonal and Monoclinic Na<sub>2−x</sub>RuO<sub>3</sub> Polymorphs
Oxygen Redox Promoted by Na Excess and Covalency in Hexagonal and Monoclinic Na<sub>2−x</sub>RuO<sub>3</sub> Polymorphs Open
Resorting to oxygen redox in addition to that of transition metal in oxide cathode materials can increase the capacity of rechargeable Na ions batteries. Through comprehensive density functional calculations, we demonstrate dominant oxygen…
View article: Au quantum dots engineered room temperature crystallization and magnetic anisotropy in CoFe<sub>2</sub>O<sub>4</sub> thin films
Au quantum dots engineered room temperature crystallization and magnetic anisotropy in CoFe<sub>2</sub>O<sub>4</sub> thin films Open
For the first time, this work presents a novel room temperature time-effective concept to manipulate the crystallization kinetics and magnetic responses of thin films grown on amorphous substrates.
View article: Ab Initio Investigation of Water Adsorption and Hydrogen Evolution on Co<sub>9</sub>S<sub>8</sub> and Co<sub>3</sub>S<sub>4</sub> Low-Index Surfaces
Ab Initio Investigation of Water Adsorption and Hydrogen Evolution on Co<sub>9</sub>S<sub>8</sub> and Co<sub>3</sub>S<sub>4</sub> Low-Index Surfaces Open
We used density functional theory approach, with the inclusion of a semiempirical dispersion potential to take into account van der Waals interactions, to investigate the water adsorption and dissociation on cobalt sulfide Co9S<…
View article: Dominant role of orbital splitting in determining cathode potential in O3 NaTMO2 compounds
Dominant role of orbital splitting in determining cathode potential in O3 NaTMO2 compounds Open
View article: The effect of octahedral distortions on the electronic properties and magnetic interactions in O3 NaTMO<sub>2</sub> compounds (TM = Ti–Ni & Zr–Pd)
The effect of octahedral distortions on the electronic properties and magnetic interactions in O3 NaTMO<sub>2</sub> compounds (TM = Ti–Ni & Zr–Pd) Open
Although O3 sodium transition metal oxides (NaTMO2) share many similarities, they still differ from one another by some fine structural details.
View article: Native point defects in Ti3GeC2 and Ti2GeC
Native point defects in Ti3GeC2 and Ti2GeC Open