Surface modified hydroxyapatites with various functionalized nanostructures: computational studies of the vacancies in HAp

Hydroxyapatite (HAp) has structural features that define its basic physical properties, which have an important role at the surface, and it is one of the most used materials in bone implants. In this work, we present a density functional modeling (DFT) study of HAp both as bulk and with special HAp...

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Bibliographic Details
Main Author: Bystrova, V. S. (author)
Other Authors: Paramonova, E. V. (author), Bystrova, A. V. (author), Pullar, R. C. (author), Kopyl, S. (author), Tobaldi, D. M. (author), Piccirillo, C. (author), Avakyan, L. A. (author), Coutinho, J. (author)
Format: article
Language:eng
Published: 2018
Subjects:
Hydroxyapatite
Optical band gap energy
Density of states
Photocatalysis
Density functional theory
Online Access:http://hdl.handle.net/10400.14/26004
Country:Portugal
Oai:oai:repositorio.ucp.pt:10400.14/26004

Internet

http://hdl.handle.net/10400.14/26004

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