Akta Kimia Indonesia
Vol 5, No 2 (2020)

STUDY ON THE STABILITY OF TRIVALENT CATIONS GADOLINIUM (Gd) DOPED FERRIC OXIDE (Fe2O3) THROUGH ATOMISTIC MODELING

Anggi Suprabawati (Jurusan KImia,Fakultas Sains dan Informatika.Universitas Jendral Ahmad Yani)

Article Info

Publish Date
25 Nov 2020

Abstract

This research is aimed to study the stability of the structure Fe2O3 doped with trivalent cations Gadolinium (Gd) into compound Fe1-xGdxO2-δ through atomistic modeling and Bond Valence Sum (BVS) calculations. Short range potential used in this study was Buckingham potential. Result of geometry optimization at constant pressure shown the more of the concentration and the size of substituting dopant of ferric oxide (Fe2O3)increase, the more positive the lattice energy of the doped structure is, so that the stability of the doped Fe2O3 structure decreases.

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Journal Info
Akta Kimia Indonesia
Website

Abbrev

kimia

Publisher

Institut Teknologi Sepuluh Nopember Surabaya

Subject

Chemistry

Description

Akta Kimia Indoneisa publishes peer-reviewed open access articles in all areas of chemistry, including: Analytical Chemistry Physical Chemistry Organic Chemistry Inorganic Chemistry Biological Chemistry To submit an article, you need to register first. Please click register in the menus ...