Crystal structure of h-2D aluminum for electrochemical systems computational studies

Authors

Dominic P. Guaña ⋅ PH Physics Department, De La Salle University
Al Rey C. Villagarcia ⋅ PH Physics Department, De La Salle University
Nelson B. Arboleda ⋅ PH Physics Department, De La Salle University
Melanie Y. David ⋅ PH Physics Department, De La Salle University

Abstract

The crystal structure of hexagonal-2Dimension (h-2D) aluminum was calculated using Density Functional Theory (DFT) under local density approximations. The average bond length between aluminum atoms was calculated to be ~2.55 Å. The electron density graph revealed that there was a high concentration of electrons in between aluminum atoms which is a manifestation of covalent bonding.

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Issue

2015: Proceedings of the 33rd Samahang Pisika ng Pilipinas Physics Congress

Article ID

SPP-2015-5B-04

Section

Condensed Matter Physics and Materials Science

Published

2015-06-03

How to Cite

[1]

DP Guaña, ARC Villagarcia, NB Arboleda, and MY David, Crystal structure of h-2D aluminum for electrochemical systems computational studies, Proceedings of the Samahang Pisika ng Pilipinas 33, SPP-2015-5B-04 (2015). URL: https://proceedings.spp-online.org/article/view/1106.