Structural Evolution of AlN Nanoclusters and the Elemental Chemisorption Characteristics: Atomistic Insight

Structural Evolution of AlN Nanoclusters and the Elemental Chemisorption Characteristics: Atomistic Insight

A theoretical insight into the structural evolution of AlN atomic clusters and the chemisorption of several common alloying elements on a large cluster has been performed in the framework of state-of-the-art density functional theory calculations. We report the findings that the longitudinal growth...

Full description

Bibliographic Details
Main Authors: Xi Nie, Zhao Qian, Wenzheng Du, Zhansheng Lu, Hu Li, Rajeev Ahuja, Xiangfa Liu
Format: Article
Language:English
Published: MDPI AG 2019-10-01
Series:Nanomaterials
Subjects:
aln
low-dimensional material
atomic cluster
electronic structure
hse06 hybrid functional
Online Access:https://www.mdpi.com/2079-4991/9/10/1420

Internet

https://www.mdpi.com/2079-4991/9/10/1420

Similar Items