Department of Chemistry, Faculty of Sciences and Mathematics, Universitas Negeri Gorontalo, Gorontalo, Indonesia
BibTex Citation Data :
@article{JKSA22954, author = {Akram La Kilo and Triwahyuni Umamah and Lukman Laliyo}, title = {Studi Kestabilan Zirkonia Terdoping Kation Trivalen melalui Pemodelan Atomistik}, journal = {Jurnal Kimia Sains dan Aplikasi}, volume = {22}, number = {4}, year = {2019}, keywords = {zirconia; cation trivalent, lattice energy; atomistic modeling; bond valence sum}, abstract = { The aim of this research was to study the stability of the structure of the ZrO 2 doped with trivalent oxide Zr 1- x M x O 2- δ (M = La 3+ , Nd 3+ , Sm 3+ , Eu 3+ , Gd 3+ , Y 3+ , Er 3+ , Yb 3+ and Lu 3+ through atomistic modelling and bond valence sum method. Short range potential used in this study was Buckinghams’ potential. Result of geometry optimization at constant pressure shown both cell parameters of ZrO 2 was in good agreement with experimental results because of the difference was only 0.11%. Increasing the concentration and the size of substituting dopant of ZrO 2 makes the lattice energy of the doped structure was more positive so that the stability of the doped ZrO 2 structure decreases. The decrease in the stability of ZrO 2 doped with Y 3+ , Er 3+ , Yb 3+ and Lu 3+ was smaller than ZrO 2 doped with La 3+ , Nd 3+ , Sm 3+ , Eu 3+ and Gd 3+ . BVS results shown that the structure of ZrO 2 doped with La 3+ was not appropriate because it has different value of BVS was more than 0.1 }, issn = {2597-9914}, pages = {129--135} doi = {10.14710/jksa.22.4.129-135}, url = {https://ejournal.undip.ac.id/index.php/ksa/article/view/22954} }
Refworks Citation Data :
The aim of this research was to study the stability of the structure of the ZrO2 doped with trivalent oxide Zr1-xMxO2-δ (M = La3+, Nd3+, Sm3+, Eu3+, Gd3+, Y3+, Er3+, Yb3+ and Lu3+ through atomistic modelling and bond valence sum method. Short range potential used in this study was Buckinghams’ potential. Result of geometry optimization at constant pressure shown both cell parameters of ZrO2 was in good agreement with experimental results because of the difference was only 0.11%. Increasing the concentration and the size of substituting dopant of ZrO2 makes the lattice energy of the doped structure was more positive so that the stability of the doped ZrO2 structure decreases. The decrease in the stability of ZrO2 doped with Y3+, Er3+, Yb3+ and Lu3+was smaller than ZrO2 doped with La3+, Nd3+, Sm3+, Eu3+ and Gd3+. BVS results shown that the structure of ZrO2 doped with La3+was not appropriate because it has different value of BVS was more than 0.1
Article Metrics:
Last update:
Evaluation of Structural Stability, Mechanical Properties, and Corrosion Resistance of Magnesia Partially Stabilized Zirconia (Mg-PSZ)
Last update: 2024-06-29 12:30:00
As an article writer, the author has the right to use their articles for various purposes, including use by institutions that employ authors or institutions that provide funding for research. Author rights are granted without special permission.
Author who publishes a paper at JKSA has the broad right to use their work for teaching and scientific purposes without the need to ask permission, including: used for (i) teaching in the author's class or institution, (ii) presentation at meetings or conferences and distributing copies to participants ; (iii) training conducted by the author or author's institution; (iv) distribution to colleagues for research use; (v) use in the compilation of subsequent authors' works; (vi) inclusion in a thesis or dissertation; (vi) reuse of part of the article in another work (with citation); (vii) preparation of derivative works (with citation); (viii) voluntary posting on open websites operated by authors or author institutions for scientific purposes (follow the CC BY-SA License).
Authors and readers can copy and redistribute material in any media or format, and mix, modify, and build material for any purpose but they must provide appropriate credit (provide article citation or content), providing links to the license, and indicate if there are changes.
The authors submitting a manuscript do so on the understanding that if accepted for publication, copyright of the article shall be assigned to Jurnal Kimia Sains dan Aplikasi (JKSA). Copyright encompasses rights to reproduce and deliver the article in all form and media, including reprints, photographs, microfilms and any other similar reproductions, as well as translations.
Reproduce any part of this journal, its storage in the database or its transmission by all forms or media is permitted does not need for written permission from JKSA. However, it should be cited as an honor in academic manners
JKSA and the Chemistry Department of Diponegoro University and the Editor make every effort to ensure that there are no data, opinions, or false or misleading statements published in JKSA. However, the content of the article is the sole and exclusive responsibility of each author.
The Copyright Transfer Form can be downloaded here: [Copyright Transfer Form - Indonesian] [Copyright Transfer Form - English]. The copyright form should be signed originally and send to the Editor in the form of printed letters, scanned documents sent via email or fax.
Adi Darmawan, Ph.D (Editor in Chief)
Editor in chief of Jurnal Kimia Sains dan Aplikasi (JKSA)
Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University
Visitor: View My Stats
Jurnal Kimia Sains dan Aplikasi is indexed in:
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
