Hydroxyapatite and Perovskite Materials: Synthesis, Characterization, Atomistic Simulations, and Resources for Teaching the Concepts

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Inorganic Crystalline Materials".

Deadline for manuscript submissions: closed (31 March 2024) | Viewed by 2235

Special Issue Editor


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Guest Editor
Africa Centre of Excellence on New Pedagogies in Engineering Education, Department of Mechanical Engineering, Ahmadu Bello University, Zaria 810222, Nigeria
Interests: biomaterials; perovskites; engineering education

Special Issue Information

Dear Colleagues,

Research into crystalline materials based on hydroxyapatite and perovskite materials is rapidly progressing in the field of solid-state science, uniting chemists and experimental and theoretical physicists from all around the world. Our focus is on crystalline solids with structural, electronic, optical, thermoelectric, mechanical properties, etc., which are governed by the migration of ions. Hydroxyapatite materials have primarily gained attention for their applications in bone repair and regeneration in the form of granules, blocks, and scaffolds, either alone or as a composite with polymers or other ceramics, such as for coatings on orthopedic or dental implants. Furthermore, perovskite materials have emerged as the most promising and efficient low-cost energy materials for various optoelectronic and photonic device applications. Although, these materials have been extensively studied in recent years, research into the properties of these materials in their defect states that focuses on robust resources to teach the concepts therein is still in its infancy. For instance, the interplay between ion migration and defect states is still under debate, while the properties of these crystalline materials in their pristine state are well established. Recently, research has shown that the defect states inherent in the bulk of these materials can cause transitions into superconducting states by electron–electron interactions. However, what are the other outcomes of defects? Is it possible to tune the properties of these materials by pressure etc.? Research is still needed to answer these basic questions, making them hot topics. In terms of teaching the concepts of crystallography, there are several crystallographic databases, such as the Cambridge Structural Database (CSD), Materials Project (MP), crystallographic Open Database (COD), etc., that could serve as important resources for teaching crystallographic concepts based on the physical, chemical, and intermolecular interactions of these materials. The present Special Issue on “Hydroxyapatite and Perovskite Materials: Synthesis, Characterization, Atomistic Simulations, and Resources for Teaching the Concepts” is expected to summarize the progress achieved in the last five years.

Dr. David Olubiyi Obada
Guest Editor

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Keywords

  • synthesis
  • characterization
  • industrial applications
  • ab initio calculations
  • engineering education
  • pedagogy

Published Papers (1 paper)

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Review

26 pages, 5499 KiB  
Review
Lead-Free Double Perovskites: A Review of the Structural, Optoelectronic, Mechanical, and Thermoelectric Properties Derived from First-Principles Calculations, and Materials Design Applicable for Pedagogical Purposes
by David O. Obada, Shittu B. Akinpelu, Simeon A. Abolade, Emmanuel Okafor, Aniekan M. Ukpong, Syam Kumar R and Akinlolu Akande
Crystals 2024, 14(1), 86; https://0-doi-org.brum.beds.ac.uk/10.3390/cryst14010086 - 16 Jan 2024
Cited by 1 | Viewed by 1735
Abstract
Metal halide perovskite materials have shown significant advancements in their application as light absorbers in perovskite solar cells, with power conversion efficiencies reaching 27%. However, lead-based perovskites pose a concern due to their toxicity and stability issues in moisture, UV radiation, and heat. [...] Read more.
Metal halide perovskite materials have shown significant advancements in their application as light absorbers in perovskite solar cells, with power conversion efficiencies reaching 27%. However, lead-based perovskites pose a concern due to their toxicity and stability issues in moisture, UV radiation, and heat. This has led to a pressing need to explore substitute materials that do not contain lead but maintain the remarkable characteristics of lead-based perovskites. This review article focuses on halide double perovskites characterised by the A2B’B”X6 composition, highlighting their structural, optical, thermoelectric, and mechanical capabilities. Additionally, the review evaluates several materials databases to investigate materials suitable for high-throughput first-principles calculations integrated inside density functional theory. The review aims to identify novel perovskite materials, offer a thorough evaluation of the potential benefits and drawbacks associated with this class of materials, and, from the pedagogical standpoint, discover effective instructional frameworks. Full article
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