Mg-Dopant Effects on Band Structures of Zn-Based Hydroxyapatites: A Theoretical Study
Yazarlar (9)
Niyazi Bulut Firat Üniversitesi Tip Fakültesi, Türkiye
Omer Kaygili Firat Üniversitesi Tip Fakültesi, Türkiye
Ala Hamd Hssain Firat Üniversitesi Tip Fakültesi, Türkiye
Sergey V. Dorozhkin
Benahmed Abdelghani Université Dr Taher Moulay Saida - Algeria, Cezayir
Öğr. Gör. Dr. Cahit ÖREK Kastamonu Üniversitesi, Türkiye
Hanifi Kebiroglu Firat Üniversitesi Tip Fakültesi, Türkiye
Doç. Dr. Tankut Ates Malatya Turgut Ozal University, Türkiye
Rebaz Obaid Kareem University Of Halabja, Irak
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Iranian Journal of Science | ||
| Dergi ISSN | 2731-8095 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2023 |
| Kabul Tarihi | 28-09-2023 | Yayınlanma Tarihi | 25-10-2023 |
| Cilt / Sayı / Sayfa | 47 / 5 / 1843–1859 | DOI | 10.1007/s40995-023-01531-6 |
| Makale Linki | http://dx.doi.org/10.1007/s40995-023-01531-6 | ||
| UAK Araştırma Alanları |
Teorik Kimya
Spektroskopi
Fiziksel Kimya
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| Özet |
| The band structures of Zn-based hydroxyapatites co-doped with Mg at varying amounts from 0 to 2.0 at. % have been investigated theoretically in more detail. The calculations were done to obtain the band structure, density of states, and band gap for all the modeled structures to study their electronic properties. It was seen that the co-doping has an effect on the structural and electronic properties of all the as-investigated structures. The bandgap energy for all samples in each group was found to be reduced gradually with varying doping rates of Mg into Zn-doped HAp. The band gap decreased from 4.54 to 3.84 eV for samples of 0.4Zn–0.4 Mg-HAp and 2.0Zn–0.4 Mg-HAp with the same amount of Mg, respectively, as a result of increasing the doping levels of Zn from 0.4 to 2.0 at.%. The lattice parameters, unit cell volume, and density decrease with increase in doping of Zn-containing HAp and in addition of second … |
| Anahtar Kelimeler |
| Band gap | Density functional theory | Hydroxyapatite |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 14 |
| Scopus | 15 |
| Google Scholar | 20 |