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Average and local crystal structures of (Ga1–xZnx)(N1–xOx) solid solution nanoparticles

Journal Article · · Inorganic Chemistry
 [1];  [1];  [2];  [3];  [4]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. New Jersey Inst. of Technology, Newark, NJ (United States)
  3. Vanderbilt Univ., Nashville, TN (United States)
  4. Chinese Academy of Sciences (CAS), Ningbo (China)
We report the comprehensive study of the crystal structure of (Ga1–xZnx)(N1–xOx) solid solution nanoparticles by means of neutron and synchrotron x-ray scattering. In our study we used four different types of (Ga1–xZnx)(N1–xOx) nanoparticles, with diameters of 10–27 nm and x = 0.075–0.51, which show the narrow energy-band gaps from 2.21 to 2.61 eV. The Rietveld analysis of the neutron diffraction data revealed that the average crystal structure is the hexagonal wurtzite (space group P63mc), in agreement with previous reports on similar bulk materials. The pair-distribution function (PDF) analysis of the same data found that the local structure is more disordered than the average one. It is best described by the model with a lower symmetry space group P1, where atoms are quasirandomly distorted from their nominal positions in the hexagonal wurtzite lattice.
Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1225425
Alternate ID(s):
OSTI ID: 1324820
OSTI ID: 1354274
Journal Information:
Inorganic Chemistry, Journal Name: Inorganic Chemistry; ISSN 0020-1669
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English

References (42)

Crystal structure refinement of AlN and GaN journal September 1977
Exchange bias journal February 1999
Crystal structure and optical properties of (Ga1−xZnx)(N1−xOx) oxynitride photocatalyst (x=0.13) journal December 2005
Effect of post-calcination on photocatalytic activity of (Ga1−xZnx)(N1−xOx) solid solution for overall water splitting under visible light journal March 2008
MOVPE growth of GaN around ZnO nanopillars journal November 2008
The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS
  • Neuefeind, Jörg; Feygenson, Mikhail; Carruth, John
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 287 https://doi.org/10.1016/j.nimb.2012.05.037
journal September 2012
Semiconductor Nanocrystals: Structure, Properties, and Band Gap Engineering journal February 2010
Synthesis and Characterization of Visible Light Absorbing (GaN) 1– x (ZnO) x Semiconductor Nanorods journal July 2013
Effect of Nature and Location of Defects on Bandgap Narrowing in Black TiO 2 Nanoparticles journal April 2012
Overall Water Splitting on (Ga 1 - x Zn x )(N 1 - x O x ) Solid Solution Photocatalyst:  Relationship between Physical Properties and Photocatalytic Activity journal November 2005
First-Principles Studies of the Structural and Electronic Properties of the (Ga 1 - x Zn x )(N 1 - x O x ) Solid Solution Photocatalyst journal March 2008
Photoluminescence Spectroscopic and Computational Investigation of the Origin of the Visible Light Response of (Ga 1− x Zn x )(N 1− x O x ) Photocatalyst for Overall Water Splitting journal August 2010
2D XAFS–XEOL Mapping of Ga 1– x Zn x N 1– x O x Nanostructured Solid Solutions journal October 2011
Nitridation Temperature Effects on Electronic and Chemical Properties of (Ga 1– x Zn x )(N 1– x O x ) Solid Solution Nanocrystals journal September 2013
Origin of Visible Light Absorption in GaN-Rich (Ga 1 - x Zn x )(N 1 - x O x ) Photocatalysts journal December 2007
Preparation of (Ga 1− x Zn x )(N 1− x O x ) Photocatalysts from the Reaction of NH 3 with Ga 2 O 3 /ZnO and ZnGa 2 O 4 : In Situ Time-Resolved XRD and XAFS Studies journal February 2009
In Situ XRD Studies of ZnO/GaN Mixtures at High Pressure and High Temperature: Synthesis of Zn-Rich (Ga 1− x Zn x )(N 1− x O x ) Photocatalysts journal January 2010
Hydrogen-Treated TiO 2 Nanowire Arrays for Photoelectrochemical Water Splitting journal July 2011
(Ga 1– x Zn x )(N 1– x O x ) Nanocrystals: Visible Absorbers with Tunable Composition and Absorption Spectra journal May 2012
Photocatalyst releasing hydrogen from water journal March 2006
Tuning the optical and electronic properties of colloidal nanocrystals by lattice strain journal December 2008
Experimental visualization of covalent bonds and structural disorder in a gallium zinc oxynitride photocatalyst (Ga1−xZnx)(N1−xOx): origin of visible light absorption journal January 2010
Facile synthesis of Zn-rich (GaN)1−x(ZnO)x solid solutions using layered double hydroxides as precursors journal January 2011
Hybrid density functional study of band alignment in ZnO–GaN and ZnO–(Ga1−xZnx)(N1−xOx)–GaN heterostructures journal January 2012
Optical properties of GaN grown on ZnO by reactive molecular beam epitaxy journal January 1997
Band gap tailoring of Nd3+-doped TiO2 nanoparticles journal November 2003
Heteroepitaxal fabrication and structural characterizations of ultrafine GaN/ZnO coaxial nanorod heterostructures journal May 2004
Synthesis and optical properties of GaN/ZnO solid solution nanocrystals journal May 2010
Extraction of the fine structure from x-ray absorption spectra journal December 2000
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals journal July 2007
Local atomic strain in ZnSe 1 − x Te x from high real-space resolution neutron pair distribution function measurements journal April 2001
Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis journal September 2007
Phase diagram, structure, and electronic properties of (Ga 1 − x Zn x )(N 1 − x O x ) solid solutions from DFT-based simulations journal April 2011
Atomic and Electronic Structures of GaN / ZnO Alloys journal February 2010
Giant and Composition-Dependent Optical Bowing Coefficient in GaAsN Alloys journal January 1996
High Real-Space Resolution Measurement of the Local Structure of Ga 1 − x In x As Using X-Ray Diffraction journal November 1999
EXPGUI , a graphical user interface for GSAS journal April 2001
PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data journal July 2004
Building and refining complete nanoparticle structures with total scattering data journal February 2011
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT journal June 2005
Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals journal January 2011
Chemical short range order obtained from the atomic pair distribution function journal January 2002

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