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ScOx rich surface terminations on lanthanide scandate nanoparticles

Journal Article · · Physical Review Materials
We report that the lanthanide scandate materials are widely used substrates for thin film growth and the potential applications of the LnScO3 materials continue to grow with the recent ability to synthesize them as cuboidal faceted nanoparticles. A comprehensive understanding of the surface structure and chemistry of these oxides is essential for their informed application, either as single crystal or high surface area nanoparticle substrates. Here the {100} pseudocubic surfaces of LnScO3 (Ln = La, Nd, Sm, Gd) nanoparticles were examined with aberration-corrected electron microscopy and higher-level density functional theory to reveal ScOx rich terminations across all investigated surfaces. Mixed terminations of single and double layer nature were observed, indicating the presence of multiple domains at the surface and introducing the possibility of synthetically controlling the surface reconstruction in the future.
Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
Institute for Catalysis in Energy Processes (ICEP); USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-06CH11357; FG02-03ER15457
OSTI ID:
1845692
Journal Information:
Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 12 Vol. 5; ISSN 2475-9953
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (52)

Atomically Defined Rare-Earth Scandate Crystal Surfaces journal August 2010
Growth and Properties of Fully Strained SrCoO x ( x ≈ 2.8) Thin Films on DyScO 3 journal April 2015
Exact exchange for correlated electrons journal March 2006
Direct atomic imaging of solid surfaces journal April 1984
Force calculation for orbital-dependent potentials with FP-(L)APW+lo basis sets journal December 2008
Properties of rare-earth scandate single crystals (Re=Nd−Dy) journal May 2008
Large-lattice-parameter perovskite single-crystal substrates journal January 2017
Atomically flat single terminated oxide substrate surfaces journal May 2017
Pauling's rules for oxide surfaces journal October 2018
SrTiO3(001) reconstructions: the (2×2) to c(4×4) transition journal September 2006
Why the case for clean surfaces does not hold water: Structure and morphology of hydroxylated nickel oxide (111) journal January 2010
Thermal-induced change in surface termination of DyScO3(110) journal October 2010
A chemical approach to understanding oxide surfaces journal February 2012
Water adsorption on SrTiO3(001): I. Experimental and simulated STM journal April 2012
Water adsorption on SrTiO3(001): II. Water, water, everywhere journal May 2012
Charging ain't all bad: Complex physics in DyScO3 journal August 2019
In Situ STEM Determination of the Atomic Structure and Reconstruction Mechanism of the TiO 2 (001) (1 × 4) Surface journal March 2017
All Roads Lead to TiO 2 : TiO 2 -Rich Surfaces of Barium and Strontium Titanate Prepared by Hydrothermal Synthesis journal January 2018
Synthesis of Gadolinium Scandate from a Hydroxide Hydrogel journal December 2017
Flexible Cation Distribution for Stabilizing a Spinel Surface journal July 2020
Ab Initio Predictions of Double-Layer TiO 2 -Terminated SrTiO 3 (001) Surface Reconstructions journal August 2018
Water on the MgO(001) Surface: Surface Reconstruction and Ion Solvation journal June 2015
Real-Time Observation of Reconstruction Dynamics on TiO 2 (001) Surface under Oxygen via an Environmental Transmission Electron Microscope journal December 2015
Direct Observation of Large Flexoelectric Bending at the Nanoscale in Lanthanide Scandates journal May 2018
Kinetic Growth Regimes of Hydrothermally Synthesized Potassium Tantalate Nanoparticles journal July 2018
Identifying Support Effects in Au-Catalyzed CO Oxidation journal September 2021
Recent Developments in the Methods and Applications of the Bond Valence Model journal December 2009
Fixed-Point Optimization of Atoms and Density in DFT journal May 2013
The Principles Determining the Structure of Complex Ionic Crystals journal April 1929
Imaging the Atomic Surface Structures of CeO 2 Nanoparticles journal December 2013
Direct surface imaging in small metal particles journal May 1983
The structure and chemistry of the TiO2-rich surface of SrTiO3 (001) journal September 2002
Room-temperature ferroelectricity in strained SrTiO3 journal August 2004
Transmission electron microscopy finds plenty of room on the surface journal January 2015
Complex surface structure of (110) terminated strontium titanate nanododecahedra journal January 2016
Step edge structures on the anatase TiO 2 (001) surface studied by atomic-resolution TEM and STM journal January 2018
Structural and optical properties of epitaxial BaTiO3 thin films grown on GdScO3(110) journal May 2003
Electron-doped infinite-layer thin films with TC over 40 K grown on DyScO3 substrates journal March 2004
Effect of stoichiometry on the dielectric properties and soft mode behavior of strained epitaxial SrTiO 3 thin films on DyScO 3 substrates journal February 2013
WIEN2k: An APW+lo program for calculating the properties of solids journal February 2020
Water chemisorption and reconstruction of the MgO surface journal October 1995
Structure of singly terminated polar DyScO 3 (110) surfaces journal April 2012
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal April 2008
Vacant-Site Octahedral Tilings on SrTiO 3 (001), the ( 13 × 13 ) R 33.7 ° Surface, and Related Structures journal April 2011
Synthesis-Dependent Atomic Surface Structures of Oxide Nanoparticles journal October 2013
Transition from Order to Configurational Disorder for Surface Reconstructions on SrTiO 3 (111) journal June 2015
Direct Imaging of Carbon-Covered and Clean Gold (110) Surfaces journal September 1983
Electronic structure of lanthanide scandates journal February 2018
Structure of the (110) L n Sc O 3   ( L n = Gd , Tb , Dy ) surfaces journal April 2020
Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database journal August 1985
How heteroepitaxy occurs on strontium titanate journal April 2019
Controlled Two-Step Formation of Faceted Perovskite Rare-Earth Scandate Nanoparticles journal April 2019

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