Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study
Samo za registrovane korisnike
2019
Autori
Prekajski Đorđević, MarijaVukoje, Ivana
Lazić, Vesna
Đorđević, Vesna
Sredojević, Dušan
Dostanić, Jasmina
Lončarević, Davor
Ahrenkiel, Scott Phillip
Belić, Milivoj
Nedeljković, Jovan M.
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
Surface modification of CeO2 nano-powder, synthesized by a self-propagating room temperature method with
salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol,
3,4-dihydroxybenzoic acid, caffeic acid and 2,3-dihydroxy naphthalene), induces the appearance of absorption in
the visible spectral region due to the interfacial charge transfer (ICT) complex formation. Thorough characterization
involving transmission electron microscopy, XRD analysis, and nitrogen adsorption-desorption isotherms,
revealed that loosely agglomerated CeO2 particles of the size ranging from 2 to 4 nm have cubic fluorite structure
and specific surface area of 140 m2/g. The attachment of salicylate- and catecholate-type of ligands to the surface
of CeO2 powders leads to the formation of colored powders with tunable absorption in the visible spectral region.
The density functional theory calculations with properly design model systems were performed t...o estimate the
alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated
values and experimental data was found.
Ključne reči:
Interfacial charge transfer complex / CeO2 / Bidentate benzene derivatives / Density functional theory / Visible-light-responsive materialIzvor:
Materials Chemistry and Physics, 2019, 236, 121816-Izdavač:
- England : Elsevier
Finansiranje / projekti:
- Materijali redukovane dimenzionalnosti za efikasnu apsorpciju svetlosti i konverziju energije (RS-45020)
DOI: 10.1016/j.matchemphys.2019.121816
ISSN: 02540584; 1879-3312
WoS: 000484645900047
Scopus: 2-s2.0-85068524873
Institucija/grupa
IHTMTY - JOUR AU - Prekajski Đorđević, Marija AU - Vukoje, Ivana AU - Lazić, Vesna AU - Đorđević, Vesna AU - Sredojević, Dušan AU - Dostanić, Jasmina AU - Lončarević, Davor AU - Ahrenkiel, Scott Phillip AU - Belić, Milivoj AU - Nedeljković, Jovan M. PY - 2019 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/3320 AB - Surface modification of CeO2 nano-powder, synthesized by a self-propagating room temperature method with salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol, 3,4-dihydroxybenzoic acid, caffeic acid and 2,3-dihydroxy naphthalene), induces the appearance of absorption in the visible spectral region due to the interfacial charge transfer (ICT) complex formation. Thorough characterization involving transmission electron microscopy, XRD analysis, and nitrogen adsorption-desorption isotherms, revealed that loosely agglomerated CeO2 particles of the size ranging from 2 to 4 nm have cubic fluorite structure and specific surface area of 140 m2/g. The attachment of salicylate- and catecholate-type of ligands to the surface of CeO2 powders leads to the formation of colored powders with tunable absorption in the visible spectral region. The density functional theory calculations with properly design model systems were performed to estimate the alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated values and experimental data was found. PB - England : Elsevier T2 - Materials Chemistry and Physics T1 - Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study VL - 236 SP - 121816 DO - 10.1016/j.matchemphys.2019.121816 ER -
@article{ author = "Prekajski Đorđević, Marija and Vukoje, Ivana and Lazić, Vesna and Đorđević, Vesna and Sredojević, Dušan and Dostanić, Jasmina and Lončarević, Davor and Ahrenkiel, Scott Phillip and Belić, Milivoj and Nedeljković, Jovan M.", year = "2019", abstract = "Surface modification of CeO2 nano-powder, synthesized by a self-propagating room temperature method with salicylate-type ligands (salicylic acid and 5-aminosalicylic acid) as well as catecholate-type ligands (catechol, 3,4-dihydroxybenzoic acid, caffeic acid and 2,3-dihydroxy naphthalene), induces the appearance of absorption in the visible spectral region due to the interfacial charge transfer (ICT) complex formation. Thorough characterization involving transmission electron microscopy, XRD analysis, and nitrogen adsorption-desorption isotherms, revealed that loosely agglomerated CeO2 particles of the size ranging from 2 to 4 nm have cubic fluorite structure and specific surface area of 140 m2/g. The attachment of salicylate- and catecholate-type of ligands to the surface of CeO2 powders leads to the formation of colored powders with tunable absorption in the visible spectral region. The density functional theory calculations with properly design model systems were performed to estimate the alignment of energy levels of various inorganic/organic hybrids. A reasonably good agreement between calculated values and experimental data was found.", publisher = "England : Elsevier", journal = "Materials Chemistry and Physics", title = "Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study", volume = "236", pages = "121816", doi = "10.1016/j.matchemphys.2019.121816" }
Prekajski Đorđević, M., Vukoje, I., Lazić, V., Đorđević, V., Sredojević, D., Dostanić, J., Lončarević, D., Ahrenkiel, S. P., Belić, M.,& Nedeljković, J. M.. (2019). Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study. in Materials Chemistry and Physics England : Elsevier., 236, 121816. https://doi.org/10.1016/j.matchemphys.2019.121816
Prekajski Đorđević M, Vukoje I, Lazić V, Đorđević V, Sredojević D, Dostanić J, Lončarević D, Ahrenkiel SP, Belić M, Nedeljković JM. Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study. in Materials Chemistry and Physics. 2019;236:121816. doi:10.1016/j.matchemphys.2019.121816 .
Prekajski Đorđević, Marija, Vukoje, Ivana, Lazić, Vesna, Đorđević, Vesna, Sredojević, Dušan, Dostanić, Jasmina, Lončarević, Davor, Ahrenkiel, Scott Phillip, Belić, Milivoj, Nedeljković, Jovan M., "Electronic structure of surface complexes between CeO2 and benzene derivatives: A comparative experimental and DFT study" in Materials Chemistry and Physics, 236 (2019):121816, https://doi.org/10.1016/j.matchemphys.2019.121816 . .