A5047113108- Graphene research and applications
- 2D Materials and Applications
- Chalcogenide Semiconductor Thin Films
- Graphene and Nanomaterials Applications
- Boron and Carbon Nanomaterials Research
- MXene and MAX Phase Materials
- Phase-change materials and chalcogenides
- Quantum Dots Synthesis And Properties
- ZnO doping and properties
- Advanced Photocatalysis Techniques
- Electrocatalysts for Energy Conversion
- Catalytic Processes in Materials Science
- Carbon and Quantum Dots Applications
- Gas Sensing Nanomaterials and Sensors
- Advancements in Battery Materials
- Nanomaterials for catalytic reactions
- Supercapacitor Materials and Fabrication
- Advanced biosensing and bioanalysis techniques
- Nanowire Synthesis and Applications
- Quantum and electron transport phenomena
- Ga2O3 and related materials
- Polymer Nanocomposite Synthesis and Irradiation
- Topological Materials and Phenomena
- Nonlinear Optical Materials Research
- Molecular Junctions and Nanostructures
Yancheng Institute of Technology
2024-2025
National Research Centre
2010-2025
Université de Picardie Jules Verne
2015
Abstract Sb 2 S 3 chalcogenide Nanopowder was prepared at low temperatures using the chemical co-precipitation method. PVA/PVP polymeric sheets have been with a constant ratio of 2:1 as host matrix to incorporate NPS 0, 1, 3, and 5 wt% via solution casting technique. The X-ray diffraction (XRD) pattern revealed that powder belongs an orthorhombic crystalline structure major phase, crystal size 24 nm. microstructure well /PVA/PVP investigated transmission electron microscope. Fourier...
Abstract This study investigates the structural intricacies and properties of single-walled nanotubes (SWNT) double-walled (DWNT) composed hexagonal boron nitride (BN) carbon (C). Doping with various atoms including light elements (B, N, O) heavy metals (Fe, Co, Cu) is taken into account. The optimized configurations SWNT DWNT, along dopant positions, are explored, a focus on DWNT-BN-C. stability analysis, employing binding energies, affirms favorable formation nanotube structures, DWNT-C...
The electronic and adsorption properties of chemically modified square hexagonal boron nitride quantum dots are investigated using density functional theory calculations. free energy frequency calculations show that all the flakes stable before/after modification metal adsorption. Edge significantly enhances stability interactivity flake. For instance, binding decreases from -6.5 eV in hydrogenated flake to -7.1 pristine one dipole moment increases 4.5 D 53.7 D, respectively. A wide spectrum...
The electronic and magnetic properties of armchair-hexagonal (AHEX) zigzag-triangular (ZTRI) graphene quantum dots doped with alkali metals are investigated using density functional theory. binding energy confirms the stability undoped systems. Although doping decreases single layer structures, in bilayer ones between layers increases. former is due to broken bonds deformation at surface, while later chemical formation layers. We found that lowest ground state for AHEX/AHEX-doped...
In this study, we delve into the structural and electronic intricacies of 2D aluminum nitride quantum dots (AlN-QDs) their derivatives. Through detailed analysis, uncover notable variations in bond lengths upon passivation with elements such as fluorine (F) hydroxyl (OH) groups, latter exhibiting a particularly intriguing stability profile binding energy 5.171 eV. Our investigation reveals substantial gap ∼5 eV AlN-QDs, indicating enhanced electron confinement optimal conditions for...
The electronic and optical properties hydrogen storage capacity of doped two-dimensional TiO2 quantum dots are studied using density functional theory computations. considered dopants C, S, N, Fe, Ni, Zn. Temperature stability is confirmed at 500 K according to ab initio molecular dynamics simulations. Doping vacancy formation increase the energy gap due relaxation Ti-atoms by additional electrons from or surface reconstruction after removing O Ti atoms. UV–Vis absorption spectra imply that...
Two-dimensional (2D) heterostructures open the door toward novel applications, such as multiterminal transistors, by integrating properties of participant materials. Here we construct 2D heterostars from zigzag-triangular graphene (ZTG) and group-III nitrides. They are investigated using density functional theory non-equilibrium Green's function approaches. These ferromagnetically spin-ordered devices that originate distribute on ZTG. Further control over net spin can be achieved forming...
The electronic and optical properties of finite GaS nanoribbons are investigated using density functional theory calculations. effect size, edge termination, chemical modification by doping passivation taken into account. dynamical stability is confirmed the positive vibration frequency from infrared spectra; further, binding energies ensure stable formation considered nanoribbons. Accurate control energy gap has been achieved. For instance, in armchair nanoribbons, gaps ranging ~ 1 to 4 eV...