Local environment analysis of Mn ions in .BETA.-tricalcium phosphate

Abstract

Mn-doped b-tricalcium phosphate (b-TCP) is synthesized by the solid-state reaction method. The local environment of doped Mn ions in b-TCP is investigated by the near-edge X-ray absorption fine structure (NEXAFS) measurements. The first principles calculations are also carried out to obtain the theoretical NEXAFS spectra within the density functional theory (DFT). Observed NEXAFS spectra from the Mn ions in b-TCP are quantitatively well reproduced by the present theoretical calculations, which show Mn ions are substituted for Ca 2＋ site in b-TCP.

Local Environment Analysis of Na Ions in β-Tricalcium Phosphate by X-ray Absorption Near-Edge Structure Measurements and First-Principles Calculations

“…There are five crystallographically independent sites in ¢-TCP, 12) which are labeled as Ca(1), Ca(2), Ca(3), Ca(4) and Ca (5). A hexagonal structured unit cell of ¢-TCP consists of 273 atoms, which is shown in Fig.…”

“…This method has been applied to various types of dopants in number of functional materials and we could successfully determine the local environment of the dilute dopants. 3,4) In our previous studies, local environments of Mn 5) and Zn 6) ions in ¢-TCP were investigated using the above analytical method. In the current study, local environment of monovalent Na ions, Na + , incorporated into ¢-TCP has been investigated by the above method, i.e., XANES and first-principles calculations.…”

Mangiferin-Enriched Mn–Hydroxyapatite Coupled with β-TCP Scaffolds Simultaneously Exhibit Osteogenicity and Anti-Bacterial Efficacy

“…Mn was also found to act as a calcination and sintering additive in BCP powders without causing establishment of any other subordinate phases such as α-TCP and CaO. Manganese doping in BCP is expected to increase the physicochemical characteristics of the material, resulting in better biological function in antimicrobial efficacy [ 15 ].…”