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

Authors

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

Downloads

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.