Raman scattering of true 1D van der Waals Nb2Se9 nanowires,Journal of Raman Spectroscopy

当前位置： X-MOL 学术 › J. Raman Spectrosc. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Raman scattering of true 1D van der Waals Nb2Se9 nanowires
Journal of Raman Spectroscopy ( IF 2.4 ) Pub Date : 2020-04-30 , DOI: 10.1002/jrs.5892
Junho Lee ₁ , Bum Jun Kim ₂ , You Kyoung Chung ₁ , Weon‐Gyu Lee ₁ , Ik Jun Choi ₃ , Sudong Chae ₃ , Seungbae Oh ₃ , Ji Man Kim ₁ , Jae‐Young Choi _{2,

3} , Joonsuk Huh _{1,

2}

Affiliation

In the present study, the experimental Raman spectrum of niobium‐selenide nanowires (Nb₂Se₉) is reported for the first time followed by an analysis of the Raman spectrum using the density functional theory (DFT). According to the group‐theoretical analysis, 33 A_g modes were identified as Raman active modes. In the experimental spectrum, 19 well‐resolved Raman modes were observed: 13 modes in the low‐wavenumber range (50–200 cm⁻¹) and six modes in the high‐wavenumber range (220–340 cm⁻¹). The DFT calculations were performed using the local‐density approximation (LDA) functional and generalized gradient approximation (GGA) functional of Perdew–Burke–Ernzerhof (PBE) with van der Waals corrections (PBE‐D3). PBE‐D3 showed better compatibility with the experimental data for the high‐wavenumber range. Our results provide an essential reference for the Raman scattering of newly synthesized Nb₂Se₉ nanowires and nanodevices in the future.

中文翻译：

真实一维范德华Nb2Se9纳米线的拉曼散射

在本研究中，首次报道了硒化铌纳米线（Nb ₂ Se ₉）的实验拉曼光谱，随后使用密度泛函理论（DFT）分析了拉曼光谱。根据组理论分析，将33 A _g模式确定为拉曼有源模式。在实验光谱中，观察到了19种分辨良好的拉曼模式：低波数范围（50–200 cm ^-1）中的13种模式和高波数范围（220–340 cm ^-1）中的6种模式。）。DFT计算使用具有范德华校正（PBE-D3）的Perdew-Burke-Ernzerhof（PBE）的局部密度近似（LDA）函数和广义梯度近似（GGA）函数进行。PBE-D3与高波数范围的实验数据显示出更好的兼容性。我们的结果为将来新合成的Nb ₂ Se ₉纳米线和纳米器件的拉曼散射提供了重要参考。

更新日期：2020-04-30

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11