Synthesis, Characterization and Computational Modeling of Nanostructured Materials

Dear Colleagues,

The realm of nanostructured materials constitutes a cross-disciplinary frontier in material science, bridging quantum mechanics, quantum chemistry, biology, and beyond. These materials exhibit functional, structural, or dual attributes, adopting forms such as layered materials, 2D heterostructures, micro- and nanoparticles, composites, and others. Their most prominent applications include nanoelectronics, optoelectronics, flexible and quantum electronics, nanosensing, nanomedicine, aerospace lightweight high-strength materials, high-efficiency photocatalysts, functional textiles, flexible smart materials, quantum dots, carbon nanotubes, optoelectronics, and high-entropy materials.

Understanding and developing nanostructured materials necessitates a comprehensive approach, integrating predictive computational modeling, atomic- to nano-scale design, fabrication, and multi-scale characterization. Overcoming synthesis challenges, including producing 2D materials like graphene, atomic layered chalcogenides, and M-Xenes, managing bulk and surface defects in layered materials, and achieving consistent upscaling of nanoparticle layers, is pivotal. Their swift, effective, and agile design can be enabled through the strategic fusion of high-performance computing (HPC) and machine learning.

This Special Issue will highlight the exploration and outcomes of nanostructured material synthesis, delving into their multi-scale characterization and computational modeling in order to establish atomic structure–property relationships and obtain high-performance nanostructures. The Special Issue will underscore the diverse applications of structured materials, showcasing their utility in highly sensitive devices and advanced systems that transcend conventional designs.

Topics:

• Semiconductor heterostructures for electronics and optoelectronics;
• Quantum dots for selective light emission or nanosensing;
• Energy band structure engineering;
• Nanostructured photocatalysts;
• Nanosensors operating at the quantum frontier;
• High-entropy materials;
• Ultra-shallow ion implantation;
• Nanostructured materials for energy (photovoltaics, batteries, hydrogen production, etc.);
• Nanocomposites with tuned properties;
• Nanomaterials for UV protection;
• Nanoparticles catalysis for high-efficiency combustion;
• High-strength nanocomposites;
• New concepts of biosensing and nanosensors;
• Nanostructured materials for environmental remediation.

Prof. Dr. Abdennaceur Karoui
Prof. Dr. Shizhong Yang
Dr. Bijandra Kumar
Guest Editors

Manuscript Submission Information

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• semiconductors
• heterostructures
• quantum dots
• nanosensors
• high-entropy materials
• photocatalysts
• nanocomposites
• nanoparticles
• ion implantation
• high-performance computing
• machine learning