材料科学
二硫化钼
半导体
密度泛函理论
电子结构
蜂巢
钼
蜂窝结构
应变工程
图层(电子)
拉伸应变
金属
极限抗拉强度
过渡金属
复合材料
拉伤
光电子学
凝聚态物理
计算化学
冶金
化学
硅
医学
生物化学
物理
内科学
催化作用
作者
Emilio Scalise,Michel Houssa,Geoffrey Pourtois,Valery V. Afanas’ev,André Stesmans
出处
期刊:Nano Research
[Springer Nature]
日期:2011-11-11
卷期号:5 (1): 43-48
被引量:626
标识
DOI:10.1007/s12274-011-0183-0
摘要
The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS2) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS2, the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS2.
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