RT Journal Article
T1 Influence of cation substitution on the complex structure and luminescent properties of the Zn_kIn_2O_(k+3) system
A1 García Fernández, Javier
A1 Torres Pardo, María De La Almudena
A1 Bartolomé Vílchez, Javier
A1 Martínez Casado, María Ruth
A1 Zhang, Qing
A1 Ramírez Castellanos, Julio
A1 Terasaki, Osamu
A1 Cremades Rodríguez, Ana Isabel
A1 González Calbet, José María
AB The effect of In^(3+) substitution by Ga^(3+) or Al^(3+) on the structure and luminescent properties of Zn_7In_(2-x)M_xO_10 (M = Ga or Al; 0 <= x <= 1) oxides has been investigated by means of high spatial resolution X-ray spectroscopy and high-angle annular dark-field images, combined with magic angle spinning nuclear magnetic resonance spectroscopy. Local structural variations have been identified for the Al- and Ga-doped samples through the analysis of atomically resolved chemical maps and the identification of their structural environment within the wurtzite lattice. In3+ is distributed in a zig-zag modulation, while Al^(3+) and Ga^(3+) are located in a flat distribution at the center of the wurtzite block. Density functional theory calculations provide unambiguous evidence for the preferential flat location of Ga^(3+) and Al^(3+) associated with the different strains introduced in the structure as a result of their ionic radii. The characterization of the photoluminescence response reveals the appearance of new radiative recombination pathways for the doped materials because of the presence of new defect levels in the band gap of the Zn_7In_2O_10 structure.
PB American Chemical Society
SN 0897-4756
YR 2020
FD 2020-07-28
LK https://hdl.handle.net/20.500.14352/6513
UL https://hdl.handle.net/20.500.14352/6513
LA eng
NO García Fernández, J., Torres Pardo, M. A., Bartolomé Vílchez, J. et al. «Influence of Cation Substitution on the Complex Structure and Luminescent Properties of the Zn k In 2 O k +3 System». Chemistry of Materials, vol. 32, n.o 14, julio de 2020, pp. 6176-85. DOI.org (Crossref), https://doi.org/10.1021/acs.chemmater.0c02038.
NO ©2020 American Chemical Society This work was supported by the Spanish Ministry of Innovation, Science and Technology and Spanish Ministry of Economy through Research Projects MAT2014-54372-R, MAT2017-82252-R, RTI2018-097195-B-I00 and PCIN-2017-106. This work is partially supported by ShanghaiTech ChEM under the grant number EM02161943. We thank the National Facility ELECMI ICTS and CAI for nuclear magnetic resonance (UCM) and XRD (UCM) facilities. J.B. and A.T.P. acknowledge financial support from the Comunidad de Madrid through the Talento fellowship 2017-T2/IND-5617 and PR65/19 Research Project, respectively.
NO Ministerio de Economía, Comercio y Empresa (España)
NO Ministerio de Ciencia, Innovación y Universidades (España)
NO Comunidad de Madrid
DS Docta Complutense
RD 28 sept 2024