Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory (2025)
- Authors:
- USP affiliated authors: SILVA, JUAREZ LOPES FERREIRA DA - IQSC ; MARQUES, HENRIQUE SOUZA - ICMC ; BITTENCOURT, ALBERT FREDERICO BARBOSA - IQSC
- Unidades: IQSC; ICMC
- DOI: 10.1021/acsomega.4c09997
- Subjects: ESTRUTURA QUÍMICA; TRELIÇAS; MATERIAIS; FOSFATOS; ESTABILIDADE
- Agências de fomento:
- Language: Inglês
- Sustainable Development Goals (GDS):
04. Quality education
07. Affordable and clean energy
- Imprenta:
- Publisher place: Washington
- Date published: 2025
- Source:
- Este periódico é de acesso aberto
- Este artigo é de acesso aberto
- URL de acesso aberto
- Cor do Acesso Aberto: gold
- Licença: cc-by
-
ABNT
MARQUES, Henrique S. e BITTENCOURT, Albert F. B e SILVA, Juarez Lopes Ferreira da. Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory. ACS Omega, v. 10, n. Ju 2025, p. 22521-22528, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsomega.4c09997. Acesso em: 04 ago. 2025. -
APA
Marques, H. S., Bittencourt, A. F. B., & Silva, J. L. F. da. (2025). Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory. ACS Omega, 10( Ju 2025), 22521-22528. doi:10.1021/acsomega.4c09997 -
NLM
Marques HS, Bittencourt AFB, Silva JLF da. Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory [Internet]. ACS Omega. 2025 ; 10( Ju 2025): 22521-22528.[citado 2025 ago. 04 ] Available from: https://doi.org/10.1021/acsomega.4c09997 -
Vancouver
Marques HS, Bittencourt AFB, Silva JLF da. Influence of ion substitution on the properties of apatite-based materials: computational predictions using density functional theory [Internet]. ACS Omega. 2025 ; 10( Ju 2025): 22521-22528.[citado 2025 ago. 04 ] Available from: https://doi.org/10.1021/acsomega.4c09997 - Caracterização Ab Initio de Materiais do Tipo Apatita
- Caracterização Ab initio de Hidroxiapatitas Mono-, Bi- e Tri-Substituídas
- Elucidating the catalytic valorization of ethanol over hydroxyapatite for sustainable butanol production: A first-principles mechanistic study
- Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation
- Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films
- Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface
- Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites
- On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent
- Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation
- Hybrid density functional study of small Rhn (n = 2−15) clusters
Informações sobre o DOI: 10.1021/acsomega.4c09997 (Fonte: oaDOI API)
Download do texto completo
| Tipo | Nome | Link | |
|---|---|---|---|
 |
P22002.pdf | Direct link |
How to cite
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
