Abstract This work examines the pinning enhancement in BaZrO 3 (BZO) +Y 2 O 3 doubly-doped (DD) YBa 2 Cu 3 O 7 (YBCO) nanocomposite multilayer (DD-ML) films. The film consists of two 10 nm thin Ca 0.3 Y 0.7 Ba 2 Cu 3 O 7-x (CaY-123) spacers stacking alternatively with three BZO + Y 2 O 3 /YBCO layers of 50 nm each in thickness that contain 3 vol% of Y 2 O 3 and BZO doping in the range of 2–6 vol%. Enhanced magnetic vortex pinning and improved pinning isotropy with respect to the orientation of magnetic field (B) have been achieved in the DD-ML samples at lower BZO doping as compared to that in the single-layer counterparts (DD-SL) without the CaY-123 spacers. For example, the pinning force density ( F p ) of ∼58 GNm −3 in 2 vol.% of DD-ML film is ∼110% higher than in 2 vol% of DD-SL at 65 K and B // c -axis, which is attributed to the improved pinning efficiency by c -axis aligned BZO nanorods through diffusion of Calcium (Ca) along the tensile-strained channels at BZO nanorods/YBCO interface for improvement of the interface microstructure and hence pinning efficiency of BZO nanorods. An additional benefit is in the considerably improved J c ( θ ) and reduced J c anisotropy in the former over the entire range of the B orientations. However, at higher BZO doping, the BZO nanorods become segmented and misoriented, which may change the Ca diffusion pathways and reduce the benefit of Ca in improving the pinning efficiency of BZO nanorods.
more »
« less
Simulating transient X-ray photoelectron spectra of Fe(CO) 5 and its photodissociation products with multireference algebraic diagrammatic construction theory
Accurate simulations of transient X-ray photoelectron spectra (XPS) provide unique opportunities to bridge the gap between theory and experiment in understanding the photoactivated dynamics in molecules and materials.
more »
« less
- PAR ID:
- 10563069
- Publisher / Repository:
- Royal Society of Chemistry
- Date Published:
- Journal Name:
- Physical Chemistry Chemical Physics
- Volume:
- 26
- Issue:
- 22
- ISSN:
- 1463-9076
- Page Range / eLocation ID:
- 15927 to 15938
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
-
null (Ed.)Single crystals of two new germanates, [(Rb 6 F)(Rb 4 F)][Ge 14 O 32 ] and [(Rb 6 F)(Rb 3.1 Co 0.9 F 0.96 )][Co 3.8 Ge 10.2 O 30 F 2 ], were synthesized via high temperature RbCl/RbF flux growth. Both compounds crystallize in the cubic space group F 4̄3 m and possess the germanium framework of the previously reported salt inclusion material (SIM), [(Cs 6 F)(Cs 3 AgF)][Ge 14 O 32 ], related to the Ge 7 O 16 zeolitic family. These materials demonstrate the ability to accommodate a variety of salt-inclusions, and exhibit chemical flexibility enabling modifications of the framework through incorporation of Co. Alteration of the salt-inclusion led to intrinsic luminescence of [(Rb 6 F)(Rb 4 F)][Ge 14 O 32 ] while modification of the framework resulted in an unanticipated Rb/Co salt/inclusion in [(Rb 6 F)(Rb 3.1 Co 0.9 F 0.96 )][Co 3.8 Ge 10.2 O 30 F 2 ]. Fluorescence measurements were performed on [(Rb 6 F)(Rb 4 F)][Ge 14 O 32 ]. First-principles calculations in the form of density functional theory (DFT) were performed for [(Rb 6 F)(Rb 3.1 Co 0.9 F 0.96 )][Co 3.8 Ge 10.2 O 30 F 2 ] to elucidate its electronic and magnetic properties, and stability at 0 K.more » « less
-
This paper addresses the use of Ce 0.8 Gd 0.2 O 2−δ (GDC) infiltration into the Ni–(Y 2 O 3 ) 0.08 (ZrO 2 ) 0.92 (YSZ) fuel electrode of solid oxide cells (SOCs) for improving their electrochemical performance in fuel cell and electrolysis operation. Although doped ceria infiltration into Ni–YSZ has recently been shown to improve the electrode performance and stability, the mechanisms defining how GDC impacts electrochemical characteristics are not fully delineated. Furthermore, the electrochemical characteristics have not yet been determined over the full range of conditions normally encountered in fuel cell and electrolysis operation. Here we present a study of both symmetric and full cells aimed at understanding the electrochemical mechanisms of GDC-modified Ni–YSZ over a wide range of fuel compositions and temperatures. Single-step GDC infiltration at an appropriate loading substantially reduced the polarization resistance of Ni–YSZ electrodes in electrolyte-supported cells, as measured using electrochemical impedance spectroscopy (EIS) at various temperatures (600–800 °C) in a range of H 2 O–H 2 mixtures (3–90 vol% H 2 O). Fuel-electrode-supported cells had significant concentration polarization due to the thick Ni–YSZ supports. A distribution of relaxation times approach is used to develop a physically-based electrochemical model; the results show that GDC reduces the reaction resistance associated with three-phase boundaries, but also appears to improve oxygen transport in the electrode. Increasing the H 2 O fraction in the H 2 –H 2 O fuel mixture reduced both the three-phase boundary resistance and the gas diffusion resistance for Ni–YSZ; with GDC infiltration, the electrode resistance showed less variation with fuel composition. GDC infiltration improved the performance of fuel-electrode-supported full cells, which yielded a maximum power density of 2.28 W cm −2 in fuel cell mode and an electrolysis current density at 1.3 V of 2.22 A cm −2 , both at 800 °C.more » « less
-
null (Ed.)Two new alkali vanadate carbonates with divalent transition metals have been synthesized as large single crystals via a high-temperature (600 °C) hydrothermal technique. Compound I , Rb 2 Mn 3 (VO 4 ) 2 CO 3 , crystallizes in the trigonal crystal system in the space group P 3̄1 c , and compound II , K 2 Co 3 (VO 4 ) 2 CO 3 , crystallizes in the hexagonal space group P 6 3 / m . Both structures contain honeycomb layers and triangular lattices made from edge-sharing MO 6 octahedra and MO 5 trigonal bipyramids, respectively. The honeycomb and triangular layers are connected along the c -axis through tetrahedral [VO 4 ] groups. The MO 5 units are connected with each other by carbonate groups in the ab -plane by forming a triangular magnetic lattice. The difference in space groups between I and II was also investigated with Density Functional Theory (DFT) calculations. Single crystal magnetic characterization of I indicates three magnetic transitions at 77 K, 2.3 K, and 1.5 K. The corresponding magnetic structures for each magnetic transition of I were determined using single crystal neutron diffraction. At 77 K the compound orders in the MnO 6 -honeycomb layer in a Néel-type antiferromagnetic orientation while the MnO 5 triangular lattice ordered below 2.3 K in a colinear ‘up–up–down’ fashion, followed by a planar ‘Y’ type magnetic structure. K 2 Co 3 (VO 4 ) 2 CO 3 ( II ) exhibits a canted antiferromagnetic ordering below T N = 8 K. The Curie–Weiss fit (200–350 K) gives a Curie–Weiss temperature of −42 K suggesting a dominant antiferromagnetic coupling in the Co 2+ magnetic sublattices.more » « less
-
null (Ed.)A new two-phase BaTiO 3 : La 0.7 Sr 0.3 MnO 3 nanocomposite system with a molar ratio of 8 : 2 has been grown on single crystal SrTiO 3 (001) substrates using a one-step pulsed laser deposition technique. Vertically aligned nanocomposite thin films with ultra-thin La 0.7 Sr 0.3 MnO 3 pillars embedded in the BaTiO 3 matrix have been obtained and the geometry of the pillars varies with deposition frequency. The room temperature multiferroic properties, including ferromagnetism and ferroelectricity, have been demonstrated. Anisotropic ferromagnetism and dielectric constants have been observed, which can be tuned by deposition frequencies. The tunable anisotropic optical properties originated from the conducting pillars in the dielectric matrix structure, which cause different electron transport paths. In addition, tunable band gaps have been discovered in the nanocomposites. This multiferroic and anisotropic system has shown its great potentials towards multiferroics and non-linear optics.more » « less
An official website of the United States government

