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Size-dependent electronic, mechanical and optical properties of noble metal nanoribbons
Materials Science and Engineering: B ( IF 3.6 ) Pub Date : 2020-09-17 , DOI: 10.1016/j.mseb.2020.114786
Pooja Kapoor , Ashok Kumar , P.K. Ahluwalia

We present size-dependent electronic, mechanical, and optical properties of pristine, alloyed, and hetero noble-metal nanoribbons using Density Functional Theory calculations. These nanoribbons possess higher cohesive energies as compared to their two dimensional monolayer counterparts, suggesting their higher energetic stability for experimental realization. The pristine nanoribbons are found to be metallic similar to their monolayer counterparts with variation in quantum ballistic conductance with change in the width of nanoribbon. A transition from semiconducting behavior to metallic behavior occurs with the size of alloyed and hetero nanoribbon. The ultimate tensile strength of small width nanoribbons is higher than larger width ribbons. Amongst the studied nanoribbons, Au nanoribbons have highest tensile strength and Ag nanoribbons have lowest tensile strength. Plasmon frequencies and reflectance edge lie in the visible region and they get blue shifted with increase in the width of nanoribbons. Our study suggests the studied nanoribbons to be potential candidates for future flexible optoelectronic applications.



中文翻译:

贵金属纳米带的尺寸依赖性电子,机械和光学性能

我们使用密度泛函理论计算,给出了原始,合金和杂贵金属纳米带的尺寸依赖性电子,机械和光学性能。与它们的二维单层对应物相比,这些纳米带具有更高的内聚能,表明它们具有更高的能量稳定性,可用于实验实现。发现原始的纳米带是金属的,类似于它们的单层对应物,其量子弹道电导随纳米带的宽度变化而变化。从合金行为到金属行为的转变随合金化和杂化纳米带的大小而发生。小宽度纳米带的极限拉伸强度高于大宽度纳米带。在研究的纳米带中,金纳米带具有最高的拉伸强度,银纳米带具有最低的拉伸强度。等离子体频率和反射率边缘位于可见光区域,随着纳米带宽度的增加,它们会发生蓝移。我们的研究表明,所研究的纳米带可能成为未来柔性光电应用的潜在候选者。

更新日期:2020-09-18
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