التفاصيل البيبلوغرافية
| العنوان: |
Tunable Electronic Properties and Contact Performance of Type‐II HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ Van der Waals Heterostructure. |
| المؤلفون: |
Nguyen, Son‐Tung, Hieu, Nguyen V., Le‐Quoc, Huy, Nguyen‐Ba, Kien, Nguyen, Chuong V., Nguyen, Cuong Q. |
| المصدر: |
Advanced Theory & Simulations; Jul2024, Vol. 7 Issue 7, p1-8, 8p |
| مصطلحات موضوعية: |
OPTOELECTRONIC devices, LIGHT absorption, ELECTRIC fields, HETEROJUNCTIONS, HETEROSTRUCTURES, SEMICONDUCTORS, IMPACT (Mechanics) |
| مستخلص: |
Recently, the assembly of van der Waals heterostructures (vdWH) has proved to be an effective strategy to alter the properties and enhance the functionality of multifunctional devices based on 2D materials. Herein, first‐principles calculations are employed to construct the HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ vdWH, exploring its electronic properties, contact characteristics, and the impact of electric gating. The HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ vdWH is predicted to be structurally, thermally, and mechanically stable. The HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ vdWH leads to a reduction in the bandgap compared to the constituent components, potentially enhancing optical absorption. Furthermore, the HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ heterostructure forms the type‐II band alignment, localizing electrons and holes predominantly in the HfS2${\rm HfS}_2$ and MoS2${\rm MoS}_2$ layers, respectively. Such type‐II HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ heterostructure makes it promising candidate for the optoelectronic devices, benefiting from the spatial separation of photogenerated electron‐hole pairs. Notably, the electronic properties and contact characteristics of the HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ vdWH are controllable under electric gating. The negative electric gating facilitates to a transformation from type‐II to type‐I band alignment, while the positive electric field induces a shift from semiconductor to metal in the HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ vdWH. This findings can provide valuable insights into the fundamental aspects that contribute to the exceptional performance observed in HfS2${\rm HfS}_2$/MoS2${\rm MoS}_2$ vdWH toward high‐performance multifunctional devices. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
