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Imaging and identification of point defects in PtTe 2
npj 2D Materials and Applications ( IF 9.1 ) Pub Date : 2021-01-08 , DOI: 10.1038/s41699-020-00196-8
Kuanysh Zhussupbekov , Lida Ansari , John B. McManus , Ainur Zhussupbekova , Igor V. Shvets , Georg S. Duesberg , Paul K. Hurley , Farzan Gity , Cormac Ó Coileáin , Niall McEvoy

The properties and performance of two-dimensional (2D) materials can be greatly affected by point defects. PtTe2, a 2D material that belongs to the group 10 transition metal dichalcogenides, is a type-II Dirac semimetal, which has gained a lot of attention recently due to its potential for applications in catalysis, photonics, and spintronics. Here, we provide an experimental and theoretical investigation of point defects on and near the surface of PtTe2. Using scanning tunneling microscopy and scanning tunneling spectroscopy (STS) measurements, in combination with first-principle calculations, we identify and characterize five common surface and subsurface point defects. The influence of these defects on the electronic structure of PtTe2 is explored in detail through grid STS measurements and complementary density functional theory calculations. We believe these findings will be of significance to future efforts to engineer point defects in PtTe2, which is an interesting and enticing approach to tune the charge-carrier mobility and electron–hole recombination rates, as well as the site reactivity for catalysis.



中文翻译:

PtTe 2中点缺陷的成像和识别

二维(2D)材料的特性和性能会受到点缺陷的极大影响。PtTe 2是属于10类过渡金属二卤化金属的2D材料,是II型Dirac半金属,由于其在催化,光子学和自旋电子学中的应用潜力,最近受到了广泛关注。在这里,我们提供了PtTe 2表面及其附近的点缺陷的实验和理论研究。使用扫描隧道显微镜和扫描隧道光谱(STS)测量,结合第一性原理计算,我们确定并表征了五个常见的表面和地下点缺陷。这些缺陷对PtTe 2电子结构的影响通过网格STS测量和互补密度泛函理论计算来详细探讨。我们相信这些发现对将来设计PtTe 2中的点缺陷的工作将具有重要意义,这是一种有趣且诱人的方法,用于调节电荷载流子迁移率和电子-空穴复合速率以及催化的位反应性。

更新日期:2021-01-08
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