ReviewNanomaterials (Basel, Switzerland)2021
Simulation and Computer Study of Structures and Physical Properties of Hydroxyapatite with Various Defects.
Review in Nanomaterials (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed, 50 citations in OpenAlex.
- Hexagonal-to-Monoclinic Phase-Modulated HAp Nanofibers for Enhanced Piezoelectric and Biocompatible Performance.Biomolecules · 2026Article
- A Perspective on the Use of Hydroxyapatites to Improve the Dissolution Behavior of Poorly Water-Soluble Piretanide.Pharmaceutics · 2024Article
- Synthesis of different types of nano-hydroxyapatites for efficient photocatalytic degradation of textile dye (Congo red): a crystallographic characterization.RSC advances · 2024Article
- Development of Hydroxyapatite Coatings for Orthopaedic Implants from Colloidal Solutions: Part 1-Effect of Solution Concentration and Deposition Kinetics.Nanomaterials (Basel, Switzerland) · 2023Article
- Effect of Magnesium Substitution on Structural Features and Properties of Hydroxyapatite.Materials (Basel, Switzerland) · 2023Article
- Hybrid Nanocomposites of Tenoxicam: Layered Double Hydroxides (LDHs) vs. Hydroxyapatite (HAP) Inorganic Carriers.Molecules (Basel, Switzerland) · 2023Article
- Molecular Dynamics Simulation of the Thermal Behavior of Hydroxyapatite.Nanomaterials (Basel, Switzerland) · 2022Article
- Bioactive Inorganic Materials for Dental Applications: A Narrative Review.Materials (Basel, Switzerland) · 2022Review
- RF Magnetron Sputtering of Substituted Hydroxyapatite for Deposition of Biocoatings.Materials (Basel, Switzerland) · 2022Article
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Authors and funding
5 authors at 4 institutions in 2 countries.
Funding
Abstract
Simulation and computer studies of the structural and physical properties of hydroxyapatite (HAP) with different defects are presented in this review. HAP is a well-known material that is actively used in various fields of medicine, nanotechnology, and photocatalytic processes. However, all HAP samples have various defects and are still insufficiently studied. First of all, oxygen and OH group vacancies are important defects in HAP, which significantly affect its properties. The properties of HAP are also influenced by various substitutions of atoms in the HAP crystal lattice. The results of calculations by modern density functional theory methods of HAP structures with these different defects, primarily with oxygen and hydroxyl vacancies are analyzed in this review. The results obtained show that during the structural optimization of HAP with various defects, both the parameters of the crystallographic cells of the HAP change and the entire band structure of the HAP changes (changes in the band gap). This affects the electronic, optical, and elastic properties of HAP. The review considers the results of modeling and calculation of HAP containing various defects, the applied calculation methods, and the features of the effect of these defects on the properties of HAP, which is important for many practical applications.
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