ReviewInternational journal of molecular sciences2024
A Review of Bandgap Engineering and Prediction in 2D Material Heterostructures: A DFT Perspective.
Review in International journal of molecular sciences, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Low-Temperature Deposition and Material Characterization of Hydrogenated Graphene Oxide Thin Films on Copper Substrates.ACS omega · 2026Article
- Gap Opening in Graphene-Based 2D Heterostructures: The Interplay of Spin-Orbit Coupling, Hybridization, and Symmetry.ACS nano · 2026Article
- Application of Machine Learning in Predicting the Properties of Two-Dimensional Semiconductor Materials.Nanomaterials (Basel, Switzerland) · 2026Review
- A review from fullerene dominance to non-fullerene innovation: theoretical perspective on next-generation organic photovoltaics.RSC advances · 2026Review
- Schottky-driven interfacial design of BiCommunications materials · 2026Article
- Electronic and Optical Properties of 2D-TMD/Janus Heterostructures Under the Influence of an Electric Field: First-Principles Calculations.Materials (Basel, Switzerland) · 2025Article
- Al and Ti-doped black phosphorus as sensitive materials for adsorption of HF and HRSC advances · 2025Article
- Extensive Band Gap Tunability in Covalent Organic Frameworks via Metal Intercalation and High Pressure.The journal of physical chemistry letters · 2025Article
- Enhancement of Photocurrent Stability in Oxidation-Resistant WSeACS omega · 2025Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
The advent of two-dimensional (2D) materials and their capacity to form van der Waals (vdW) heterostructures has revolutionized numerous scientific fields, including electronics, optoelectronics, and energy storage. This paper presents a comprehensive investigation of bandgap engineering and band structure prediction in 2D vdW heterostructures utilizing density functional theory (DFT). By combining various 2D materials, such as graphene, hexagonal boron nitride (h-BN), transition metal dichalcogenides, and blue phosphorus, these heterostructures exhibit tailored properties that surpass those of individual components. Bandgap engineering represents an effective approach to addressing the limitations inherent in material properties, thereby providing enhanced functionalities for a range of applications, including transistors, photodetectors, and solar cells. Furthermore, this study discusses the current limitations and challenges associated with bandgap engineering in 2D heterostructures and highlights future prospects aimed at unlocking their full potential for advanced technological applications.
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Registered trials
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