A5041832298- 2D Materials and Applications
- MXene and MAX Phase Materials
- Graphene research and applications
- Boron and Carbon Nanomaterials Research
- Perovskite Materials and Applications
- Advancements in Battery Materials
- Advanced Photocatalysis Techniques
- Quantum Dots Synthesis And Properties
- Gas Sensing Nanomaterials and Sensors
- Semiconductor materials and interfaces
- Thermal properties of materials
- Organic and Molecular Conductors Research
- Analytical Chemistry and Sensors
- Transition Metal Oxide Nanomaterials
- Semiconductor materials and devices
- Topological Materials and Phenomena
- Machine Learning in Materials Science
- Chalcogenide Semiconductor Thin Films
- Advanced battery technologies research
Hanoi University of Industry
2020-2024
In this work, we perform a first-principle study to investigate the atomic and electronic structures of ${\mathrm{C}}_{3}{\mathrm{N}}_{4}/{\mathrm{MoSi}}_{2}{\mathrm{N}}_{4}$ van der Waals heterostructure (vdWH) as well its tunable structure via interlayer coupling an external perpendicular electric field. The vdWH is structurally thermodynamically stable at room temperature. Our results demonstrate that exhibits semiconducting characteristic with direct band gap 1.86/2.66 eV given by...
In this paper, detailed investigations of the electronic and optical properties a Janus SnSSe monolayer under biaxial strain electric field using <italic>ab initio</italic> methods are presented.
Following the successful synthesis of single-layer metallic Janus MoSH and semiconducting MoSi2N4, we investigate electronic interfacial features metal/semiconductor MoSH/MoSi2N4 van der Waals (vdW) contact. We find that contact forms p-type Schottky (p-ShC type) with small barrier (SB), suggesting can be considered as an efficient to MoSi2N4 semiconductor high charge injection efficiency. The structure vdW heterostructure are tunable under strain electric fields, which give rise SB change...
A significant problem in the area of rechargeable alkali ion battery technologies is exploration anode materials with overall high specific capacities and superior physical properties.
Motivated by the successful synthesis of two-dimensional MoSi2N4 [Y.-L. Hong et al., Science, 2020, 369, 670-674] and Janus MoSSe [A.-Y. Lu Nat. Nanotechnol., 2017, 12, 744-749], in this work, we propose novel 2D XMoGeN2 (X = S, Se Te) monolayers using first-principles prediction. The controllable electronic features under an external electric field strain are also examined. Our predictions demonstrated that materials structurally dynamically stable. All these indirect semiconductors with...
van der Waals heterostructures provide a powerful platform for engineering the electronic properties and exploring exotic physical phenomena of two-dimensional materials. Here, we construct graphene/BSe heterostructure examine its characteristics tunability contact types under electric fields. Our results reveal that is energetically, mechanically, thermodynamically stable at room temperature. It forms p-type Schottky exhibits high carrier mobility, making it promising candidate future...
Conducting heterostructures have emerged as a promising strategy to enhance physical properties and unlock the potential application of such materials. Herein, we conduct investigate electronic transport BSe/Sc2CF2 heterostructure using first-principles calculations. The is structurally thermodynamically stable, indicating that it can be feasible for further experiments. exhibits semiconducting behavior with an indirect band gap possesses type-II alignment. This unique alignment promotes...
Two-dimensional (2D) metal–semiconductor heterostructures play a critical role in the development of modern electronics technology, offering platform for tailored electronic behavior and enhanced device performance.
In this work, we design computationally the metal-semiconductor NbS
In this work, we investigated the electronic, optical and photocatalytic properties of a blue phosphorene–BAs (BlueP–BAs) vdW heterostructure using first-principles calculations.
Abstract The electrical contacts formed between the channel materials and electrodes play a vital role in design fabrication of high-performance optoelectronic nanoelectronic devices. In this work we propose combining metallic single-layer graphene (SLG) Janus SMoSiN 2 semiconductor investigate electronic properties contact types combined heterostructures (HTSs) using first-principles calculations. effects electric fields interlayer coupling are also examined. SLG/SMoSiN SLG/N SiMoS HTSs...
Abstract Recently, the assembly of van der Waals heterostructures (vdWH) has proved to be an effective strategy alter properties and enhance functionality multifunctional devices based on 2D materials. Herein, first‐principles calculations are employed construct / vdWH, exploring its electronic properties, contact characteristics, impact electric gating. The vdWH is predicted structurally, thermally, mechanically stable. leads a reduction in bandgap compared constituent components,...
Stacking different two-dimensional materials to generate a vertical heterostructure has been considered promising way obtain the desired properties and improve device performance.
The generation of layered heterostructures with type-II band alignment is considered to be an effective tool for the design and fabrication a highly efficient photocatalyst.
Recently, searching for a metal-semiconductor junction (MSJ) that exhibits low-contact resistance has received tremendous consideration, as they are essential components in next-generation field-effect transistors. In this work, we design MSJ by integrating two-dimensional (2D) graphene the metallic electrode and 2D Janus γ-Ge
Motivated by the successful exfoliation of two-dimensional F-diamane-like C4F2 monolayer and superior properties graphene-based vdW heterostructures, in this work, we perform a first principles study to investigate atomic structure, electronic contact types graphene/F-diamane-like heterostructure. The graphene/C4F2 heterostructure is structurally stable at room temperature. In ground state, forms n-type Schottky with barrier height 0.46/1.03 eV given PBE/HSE06. formation tends decrease band...
In this work, we investigate the structural and electronic properties of a newly-discovered two-dimensional Janus Pd 4 S 3 Se monolayer, as well its controllable under an electric field strain engineering using first-principles calculations.
In this work, by means of first-principles calculations, we investigate the structural and electronic properties a two-dimensional ZnGeN 2 monolayer as well effects strain an electric field.