EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles
- Autores
- Arce, Valeria Beatriz; Gargarello, Romina M.; Ortega, Florencia; Romañano, Virginia; Mizrahi, Martín D.; Ramallo López, José Martín; Cobos, Carlos Jorge; Airoldi, Claudio; Bernardelli, Cecilia Elena; Donati, Edgardo Rubén; Mártire, Daniel Osvaldo
- Año de publicación
- 2015
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- Silica nanoparticles of 7 nm diameter were modified with (3-aminopropyl) triethoxysilane (APTES) and characterized by CP-MAS 13C and 29Si NMR, FTIR, zeta potential measurements, and thermogravimetry. The particles were shown to sorb successfully divalent lead and cadmium ions from aqueous solution. Lead complexation with these silica nanoparticles was clearly confirmed by EXAFS (Extended X-ray Absorption Fine Structure) with synchrotron light measurements. Predicted Pb–N and Pb–C distances obtained from quantum-chemical calculations are in very good agreement with the EXAFS determinations. The calculations also support the higher APTES affinity for Pb2+ compared to Cd2+.
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
Centro de Investigaciones Ópticas
Centro de Investigación y Desarrollo en Fermentaciones Industriales - Materia
-
Ciencias Exactas
Cadmium
Lead
Silica nanoparticles
EXAFS
DFT
MEH-PPV - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-sa/4.0/
- Repositorio
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- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/108444
Ver los metadatos del registro completo
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EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticlesArce, Valeria BeatrizGargarello, Romina M.Ortega, FlorenciaRomañano, VirginiaMizrahi, Martín D.Ramallo López, José MartínCobos, Carlos JorgeAiroldi, ClaudioBernardelli, Cecilia ElenaDonati, Edgardo RubénMártire, Daniel OsvaldoCiencias ExactasCadmiumLeadSilica nanoparticlesEXAFSDFTMEH-PPVSilica nanoparticles of 7 nm diameter were modified with (3-aminopropyl) triethoxysilane (APTES) and characterized by CP-MAS <sup>13</sup>C and <sup>29</sup>Si NMR, FTIR, zeta potential measurements, and thermogravimetry. The particles were shown to sorb successfully divalent lead and cadmium ions from aqueous solution. Lead complexation with these silica nanoparticles was clearly confirmed by EXAFS (Extended X-ray Absorption Fine Structure) with synchrotron light measurements. Predicted Pb–N and Pb–C distances obtained from quantum-chemical calculations are in very good agreement with the EXAFS determinations. The calculations also support the higher APTES affinity for Pb<sup>2+</sup> compared to Cd<sup>2+</sup>.Instituto de Investigaciones Fisicoquímicas Teóricas y AplicadasCentro de Investigaciones ÓpticasCentro de Investigación y Desarrollo en Fermentaciones Industriales2015info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfvol. 151http://sedici.unlp.edu.ar/handle/10915/108444enginfo:eu-repo/semantics/altIdentifier/issn/1386-1425info:eu-repo/semantics/altIdentifier/doi/10.1016/j.saa.2015.06.093info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-03T10:56:47Zoai:sedici.unlp.edu.ar:10915/108444Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-03 10:56:47.521SEDICI (UNLP) - Universidad Nacional de La Platafalse |
| dc.title.none.fl_str_mv |
EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles |
| title |
EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles |
| spellingShingle |
EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles Arce, Valeria Beatriz Ciencias Exactas Cadmium Lead Silica nanoparticles EXAFS DFT MEH-PPV |
| title_short |
EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles |
| title_full |
EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles |
| title_fullStr |
EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles |
| title_full_unstemmed |
EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles |
| title_sort |
EXAFS and DFT study of the cadmium and lead adsorption on modified silica nanoparticles |
| dc.creator.none.fl_str_mv |
Arce, Valeria Beatriz Gargarello, Romina M. Ortega, Florencia Romañano, Virginia Mizrahi, Martín D. Ramallo López, José Martín Cobos, Carlos Jorge Airoldi, Claudio Bernardelli, Cecilia Elena Donati, Edgardo Rubén Mártire, Daniel Osvaldo |
| author |
Arce, Valeria Beatriz |
| author_facet |
Arce, Valeria Beatriz Gargarello, Romina M. Ortega, Florencia Romañano, Virginia Mizrahi, Martín D. Ramallo López, José Martín Cobos, Carlos Jorge Airoldi, Claudio Bernardelli, Cecilia Elena Donati, Edgardo Rubén Mártire, Daniel Osvaldo |
| author_role |
author |
| author2 |
Gargarello, Romina M. Ortega, Florencia Romañano, Virginia Mizrahi, Martín D. Ramallo López, José Martín Cobos, Carlos Jorge Airoldi, Claudio Bernardelli, Cecilia Elena Donati, Edgardo Rubén Mártire, Daniel Osvaldo |
| author2_role |
author author author author author author author author author author |
| dc.subject.none.fl_str_mv |
Ciencias Exactas Cadmium Lead Silica nanoparticles EXAFS DFT MEH-PPV |
| topic |
Ciencias Exactas Cadmium Lead Silica nanoparticles EXAFS DFT MEH-PPV |
| dc.description.none.fl_txt_mv |
Silica nanoparticles of 7 nm diameter were modified with (3-aminopropyl) triethoxysilane (APTES) and characterized by CP-MAS <sup>13</sup>C and <sup>29</sup>Si NMR, FTIR, zeta potential measurements, and thermogravimetry. The particles were shown to sorb successfully divalent lead and cadmium ions from aqueous solution. Lead complexation with these silica nanoparticles was clearly confirmed by EXAFS (Extended X-ray Absorption Fine Structure) with synchrotron light measurements. Predicted Pb–N and Pb–C distances obtained from quantum-chemical calculations are in very good agreement with the EXAFS determinations. The calculations also support the higher APTES affinity for Pb<sup>2+</sup> compared to Cd<sup>2+</sup>. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas Centro de Investigaciones Ópticas Centro de Investigación y Desarrollo en Fermentaciones Industriales |
| description |
Silica nanoparticles of 7 nm diameter were modified with (3-aminopropyl) triethoxysilane (APTES) and characterized by CP-MAS <sup>13</sup>C and <sup>29</sup>Si NMR, FTIR, zeta potential measurements, and thermogravimetry. The particles were shown to sorb successfully divalent lead and cadmium ions from aqueous solution. Lead complexation with these silica nanoparticles was clearly confirmed by EXAFS (Extended X-ray Absorption Fine Structure) with synchrotron light measurements. Predicted Pb–N and Pb–C distances obtained from quantum-chemical calculations are in very good agreement with the EXAFS determinations. The calculations also support the higher APTES affinity for Pb<sup>2+</sup> compared to Cd<sup>2+</sup>. |
| publishDate |
2015 |
| dc.date.none.fl_str_mv |
2015 |
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article |
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http://sedici.unlp.edu.ar/handle/10915/108444 |
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eng |
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eng |
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