skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Dopant location identification in Nd{sup 3+}-doped TiO{sub 2} nanoparticles

Abstract

Large band gap semiconductors are typically doped in order to enhance their photocatalytic, photovoltaic, and other chemical and optoelectronic properties. The identification of dopant position and its local environment are essential to explore the effect of doping. X ray techniques, including extended x ray absorption fine structure, x ray photoelectron spectroscopy, and x ray diffraction, were performed to analyze the Nd (0 to 1.5 at. %) dopant location and the structural changes associated with the doping in anatase TiO{sub 2} nanoparticles, which were synthesized by metalorganic chemical vapor deposition. Nd ions were determined to have a trivalent chemical state and substitute for Ti{sup 4+} in the TiO{sub 2} structure. The substitutional Nd{sup 3+} ions cause anatase lattice expansion along c direction with a maximum value of 0.15 A at 1.5 % Nd doping level and the local structure of the dopants changes towards rutile like configuration. The lengths of the nearest neighbor Nd-O and Nd-Ti bonds increase by 0.5-0.8 A compared to their counterparts in the pure TiO{sub 2} host structure. The substitutional nature of Nd{sup 3+} dopants explains why they are efficient not only for charge carrier separation but also for visible light absorption in TiO{sub 2}.

Authors:
; ; ; ;  [1]
  1. Department of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716 (United States)
Publication Date:
OSTI Identifier:
20719632
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 72; Journal Issue: 15; Other Information: DOI: 10.1103/PhysRevB.72.155315; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1098-0121
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ABSORPTION; CHARGE CARRIERS; CHEMICAL BONDS; CHEMICAL STATE; CHEMICAL VAPOR DEPOSITION; DOPED MATERIALS; FINE STRUCTURE; NANOSTRUCTURES; NEODYMIUM ADDITIONS; NEODYMIUM IONS; RUTILE; SEMICONDUCTOR MATERIALS; TITANIUM IONS; TITANIUM OXIDES; X RADIATION; X-RAY DIFFRACTION; X-RAY PHOTOELECTRON SPECTROSCOPY; X-RAY SPECTRA

Citation Formats

Li, W, Frenkel, A I, Woicik, J C, Ni, C, Shah, S Ismat, Department of Physics, Yeshiva University, New York, New York 10016, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, Department of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716, and Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716. Dopant location identification in Nd{sup 3+}-doped TiO{sub 2} nanoparticles. United States: N. p., 2005. Web. doi:10.1103/PhysRevB.72.155315.
Li, W, Frenkel, A I, Woicik, J C, Ni, C, Shah, S Ismat, Department of Physics, Yeshiva University, New York, New York 10016, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, Department of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716, & Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716. Dopant location identification in Nd{sup 3+}-doped TiO{sub 2} nanoparticles. United States. https://doi.org/10.1103/PhysRevB.72.155315
Li, W, Frenkel, A I, Woicik, J C, Ni, C, Shah, S Ismat, Department of Physics, Yeshiva University, New York, New York 10016, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, Department of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716, and Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716. 2005. "Dopant location identification in Nd{sup 3+}-doped TiO{sub 2} nanoparticles". United States. https://doi.org/10.1103/PhysRevB.72.155315.
@article{osti_20719632,
title = {Dopant location identification in Nd{sup 3+}-doped TiO{sub 2} nanoparticles},
author = {Li, W and Frenkel, A I and Woicik, J C and Ni, C and Shah, S Ismat and Department of Physics, Yeshiva University, New York, New York 10016 and National Institute of Standards and Technology, Gaithersburg, Maryland 20899 and Department of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716 and Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716},
abstractNote = {Large band gap semiconductors are typically doped in order to enhance their photocatalytic, photovoltaic, and other chemical and optoelectronic properties. The identification of dopant position and its local environment are essential to explore the effect of doping. X ray techniques, including extended x ray absorption fine structure, x ray photoelectron spectroscopy, and x ray diffraction, were performed to analyze the Nd (0 to 1.5 at. %) dopant location and the structural changes associated with the doping in anatase TiO{sub 2} nanoparticles, which were synthesized by metalorganic chemical vapor deposition. Nd ions were determined to have a trivalent chemical state and substitute for Ti{sup 4+} in the TiO{sub 2} structure. The substitutional Nd{sup 3+} ions cause anatase lattice expansion along c direction with a maximum value of 0.15 A at 1.5 % Nd doping level and the local structure of the dopants changes towards rutile like configuration. The lengths of the nearest neighbor Nd-O and Nd-Ti bonds increase by 0.5-0.8 A compared to their counterparts in the pure TiO{sub 2} host structure. The substitutional nature of Nd{sup 3+} dopants explains why they are efficient not only for charge carrier separation but also for visible light absorption in TiO{sub 2}.},
doi = {10.1103/PhysRevB.72.155315},
url = {https://www.osti.gov/biblio/20719632}, journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 15,
volume = 72,
place = {United States},
year = {Sat Oct 15 00:00:00 EDT 2005},
month = {Sat Oct 15 00:00:00 EDT 2005}
}