A5023894442- MXene and MAX Phase Materials
- Advancements in Battery Materials
- 2D Materials and Applications
- Graphene research and applications
- Advanced Photocatalysis Techniques
- Advanced Battery Materials and Technologies
- Boron and Carbon Nanomaterials Research
- Chalcogenide Semiconductor Thin Films
- Perovskite Materials and Applications
- Hydrogen Storage and Materials
- Gas Sensing Nanomaterials and Sensors
- Semiconductor materials and interfaces
- Catalytic Processes in Materials Science
- Electrocatalysts for Energy Conversion
- Quantum Dots Synthesis And Properties
- Advanced Battery Technologies Research
- Advanced battery technologies research
- Pigment Synthesis and Properties
- Thermal Expansion and Ionic Conductivity
- Advanced Thermoelectric Materials and Devices
- Solid-state spectroscopy and crystallography
- CO2 Reduction Techniques and Catalysts
- Superconductivity in MgB2 and Alloys
- Ammonia Synthesis and Nitrogen Reduction
- Corrosion Behavior and Inhibition
Delft University of Technology
2023-2025
Uppsala University
2019-2023
Université Moulay Ismail de Meknes
2018-2022
Centre National pour la Recherche Scientifique et Technique (CNRST)
2019-2021
Centre National de la Recherche Scientifique et Technologique
2019
The selection of a suitable two dimensional anode material is one the key steps in development alkali metal ion batteries to achieve superior performance with an ultrahigh rate charging/discharging capability. Here, we have used state art density functional theory (DFT) explore feasibility (2D) honeycomb boron arsenide (h-BAs) as potential for alkali-metal (Li/Na/K)-ion batteries. structural and dynamic stability has been confirmed from formation energy non-negative phonon frequency. h-BAs...
Development of high capacity anode materials is one the essential strategies for next-generation high-performance Li/Na-ion batteries. Rational design, using density functional theory, can expedite discovery these materials. Here, we propose a new material, germanium carbide, g-GeC, Our results show that g-GeC possesses both benefits stability graphene and strong interaction between Li/Na germanene. The single-layer be lithiated/sodiated on sides yielding Li2GeC Na2GeC with storage as 633 mA...
Promising flexible electrochemical energy storage systems (EESSs) are currently drawing considerable attention for their tremendous prospective end-use in portable self-powered electronic devices, including roll-up displays, and "smart" garments outfitted with piezoelectric patches to harvest from body movement. However, the lack of suitable battery electrodes that provides a specific performance has made further development these technologies challenging. Two-dimensional (2D) lightweight...
Hydrogen production via solar light-driven water dissociation has been regarded as an artificial and effective process to overcome the environmental problem well solving current energy crisis. In this regard, numerous works have mainly devoted developing appropriate photocatalyst which satisfies conditions for splitting understanding photocatalysis process. study, we propose first time potential application of two-dimensional Janus aluminum oxysulfide Al2OS efficient material...
An attractive approach to mitigate hydrogen embrittlement (HE) is use nano-sized particles immobilize hydrogen. However, atomic scale relationship between different particle-matrix characteristics in aluminum alloys and the susceptibility HE unknown. In this study, effects of interactions various interfaces are investigated using a comprehensive multiscale experimental simulation-based that includes observations, simulation advanced mapping techniques. Depending on nature interfaces, e.g.,...
Thermodynamics and electronic investigations of Li/Na-functionalized BP monolayer reveals that it may operate as an attractive basis material for hydrogen storage applications.
Organic electrode materials are becoming increasingly important as they could reduce the C-footprint and provide more flexibility to design of rechargeable batteries.
This study aims to identify photo-/electrocatalysts that can enhance the oxygen evolution reaction (OER), hydrogen (HER), and reduction (ORR), which are of utmost importance in electro-/photochemical energy systems, such as solar energy, fuel cells, water electrolyzers, or metal-air batteries. Our focused on investigating 2D Ge2Se2P4 monolayer found it exhibits a bifunctional photocatalyst with very high solar-to-hydrogen efficiency. The two-dimensional (2D) has superior HER activity...
The present work systematically investigates the structural, electronic, and optical properties of MoS<sub>2</sub>/Si<sub>2</sub>BN heterostructures based on first-principles calculations.
Two-dimensional (2D) Janus monolayers, distinguished by their intrinsic vertical electric fields, emerge as highly efficient and eco-friendly materials for advancing the field of hydrogen evolution reactions (HER). In this study, we explore, first time, potential viability oxygenation phase two-dimensional transition metal dichalcogenides MoOX (X = S, Se, Te) monolayers an exceptionally photocatalyst production. Based on first-principles computations, demonstrate that all three exhibit...
Nowadays, secondary batteries based on sodium (Na), potassium (K), and magnesium (Mg) stimulate curiosity as eventually high-availability, nontoxic, eco-friendly alternatives of lithium-ion (LIBs). Against this background, a spate studies has been carried out over the past few years anode materials suitable for post-lithium-ion battery (PLIBs), in particular sodium-, potassium- magnesium-ion batteries. Here, we have consistently studied efficiency 2D α-phase arsenic phosphorus (α-AsP) anodes...
To achieve the high-rate efficiency in a electrochemical energy storage technologies, it is vital for battery anode to be electronically as well ionically conductive. Such requirement has boosted survey of three-dimensional (3D) porous networks made up light-weight non-metallic elements, like carbon, boron, and nitride. A wide range 3D materials composed carbon and/or boron Li/Na-ion batteries have been recently reported, whereas analogous efforts lightest nitride are yet addressed. In this...
The development of advanced catalysts with innovative nanoarchitectures is critical for addressing energy and environmental challenges such as the electrochemical CO2 reduction reaction (CO2RR). In this work, we present synthesis an copper-sulfur planar structure, Cu-S-BDC, within a metal-organic framework (MOF) catalyst, which demonstrates 100% selectivity towards formate sole carbon product. Structural analysis surface characterizations reveal that Cu-S-BDC exhibits quasi-two-dimensional...
Development of novel anode materials with superior electrochemical performanceis imperative for advancing next‐generation high‐performance recharge able batteries beyond current limitations. In this study, we present a 2D o‐Al2C2 monolayer as promising lightweight candidate lithium and sodium‐ion battery systems, based on the density functional theory (DFT) investigations ab initio molecular dynamics (AIMD) simulations. Our comprehensive investigation demonstrates that ex‐hibits remarkable...
Modeling the 2D Van der Waals (vdW) heterostructure photocatalysts is an effective way to take advantage of solar energy and suppressing fast recombination rate photo-generated charge carriers. In present work, we have systematically investigated electronic, optical photocatalytic properties GaS/BTe vdW under applied external electric field using first-principles calculations. Our results reveal that has indirect band gap 1.06/1.59 eV with PBE/HSE06 functional without field. The also imply...
The emergence of compact lithium–sulfur (Li–S) batteries with improved performances is becoming one the most desirable aspects future energy technologies. Beyond Li-ion batteries, Li–S great relevance to follow as it adapts specificity each application. It among suitable elements for high-performance storage systems, given its high theoretical capacity (1674 mA h g–1) and density (2600 W kg–1) relative (300 kg–1). Nevertheless, high-cell polarization shuttle effect constitute an enormous...