Structural, electronic and elastic properties of FeBO3(B = Ti, Sn, Si, Zr) ilmenite: a density functional theory study
Author:
Affiliation:
1. Department of Chemistry
2. State University of Ponta Grossa
3. Ponta Grossa, Brazil
Abstract
A DFT study to investigate the effects of B-cation replacement on the ilmenite structure structural, electronic and elastic properties is reported.
Funder
Coordenação de Aperfeiçoamento de Pessoal de NÃ-vel Superior
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2014/RA/C4RA11320A
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1. Phase transitions, micro-morphology and its oxidation mechanism in oxidation of ilmenite (FeTiO3) powder
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4. Ilmenite FeTiO3 Nanoflowers and Their Pseudocapacitance
5. Nano-ilmenite FeTiO3: Synthesis and characterization
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