Reactivity and electronic structure of aluminum clusters: The aluminum-nitrogen system

Authors

B. D. Leskiw, The Pennsylvania State University
A. W. Castleman Jr., The Pennsylvania State University
C. Ashman, Virginia Commonwealth University
S. N. Khanna, Virginia Commonwealth University

Document Type

Article

Original Publication Date

2001

Journal/Book/Conference Title

The Journal of Chemical Physics

Volume

114

Issue

3

DOI of Original Publication

10.1063/1.1333017

Comments

Originally published at http://dx.doi.org/10.1063/1.1333017

Date of Submission

October 2015

Abstract

The stability of anionic aluminum–nitrogen clusters has been examined and Al2N−, Al3N−2,Al5N−2, Al6N−3, Al8N−3, and Al9N−2 are found to be particularly stable. Theoreticaldensity functional calculations on neutral and anionic AlnN (n=1–8) clusters were performed and the stability and reaction energetics with oxygen examined. Clusters requiring less than 5.7 eV to remove an electron and an Al atom are shown to be resistant to the reaction with oxygen.

Rights

Leskiw, B. D., Castleman, A. W., Ashman, C., et al. Reactivity and electronic structure of aluminum clusters: The aluminum–nitrogen system. The Journal of Chemical Physics 114, 1165 (2001). Copyright © 2001 AIP Publishing LLC.

Is Part Of

VCU Physics Publications