Adsorption of water molecules on yttrium barium cuprate superconductors

2000 ◽  
Vol 45 (9) ◽  
pp. 1147-1153 ◽  
Author(s):  
B. M. Gorelov ◽  
D. V. Morozovskaya ◽  
V. M. Pashkov ◽  
V. A. Sidorchuk
Keyword(s):  
Cuprate Superconductors ◽  
Water Molecules ◽  
Yttrium Barium Cuprate ◽  
Adsorption Of Water ◽  
Yttrium Barium

scholarly journals Yttrium-barium cuprate superconductors on titanium and rutile substrates

2008 ◽  
Vol 97 ◽  
pp. 012090
Author(s):  
C Mitterbauer ◽  
G Gritzner ◽  
N Hörhager ◽  
H W Weber
Keyword(s):  
Cuprate Superconductors ◽  
Yttrium Barium Cuprate ◽  
Yttrium Barium

INTERGRANULAR FLUX TRAPPING EFFECTS IN YTTRIUM BARIUM CUPRATE SUPERCONDUCTORS

1989 ◽  
Vol 03 (05) ◽  
pp. 437-446 ◽  
Author(s):  
G.J. RUSSELL ◽  
D.N. MATTHEWS ◽  
K.N.R. TAYLOR ◽  
B. PERCZUK
Keyword(s):  
Magnetic Field ◽  
Applied Field ◽  
Cuprate Superconductors ◽  
Weak Link ◽  
Anomalous Behavior ◽  
Granular System ◽  
Electrical And Magnetic Properties ◽  
Yttrium Barium Cuprate ◽  
Yttrium Barium ◽  
Circulating Currents

Simultaneous measurements of the magnetic field dependence of the critical current density and the magnetization of yttrium barium cuprate superconductors have shown the presence of significant residual magnetic fluxes after the applied field has been reduced to zero. This trapped flux can be sufficient to leave the material in the mixed state and results in anomalous behavior of the observed electrical and magnetic properties. The flux appears to be associated with a magnetic field component threaded through the intergranular regions, whose motion is inhibited by circulating currents flowing in the granular system surrounding the field and preserved through the weak-link coupling. Once this coupling is destroyed, the field can move more freely. For a current-carrying sample in zero applied field, the Lorentz force due to the residual field causes the flux to leak from the sample, leading to the appearance of a voltage along the specimen.

Completely Textured Yttrium Barium Cuprate Superconductors

1989 ◽  
pp. 253-257
Author(s):  
D. N. Matthews ◽  
A. Bailey ◽  
S. Town ◽  
G. Alvarez ◽  
G. J. Russell ◽  
...  
Keyword(s):  
Cuprate Superconductors ◽  
Yttrium Barium Cuprate ◽  
Yttrium Barium

A First-Principles Computational Comparison of the Aqueous Anatase TiO2 (001) Interface and the Disordered, Fluorinated TiO2 Interface

2018 ◽  
Author(s):  
Kyle Reeves ◽  
Damien Dambournet ◽  
Christel Laberty-Robert ◽  
Rodolphe Vuilleumier ◽  
Mathieu Salanne
Keyword(s):  
Density Of States ◽  
Density Functional ◽  
Water Dissociation ◽  
Water Molecules ◽  
Chemical Doping ◽  
Charge Balance ◽  
Functional Theory ◽  
Adsorption Of Water ◽  
Properties Of Materials ◽  
Computational Comparison

Chemical doping and other surface modifications have been used to engineer the bulk properties of materials, but their influence on the surface structure and consequently the surface chemistry are often unknown. Previous work has been successful in fluorinating anatase TiO<sub>2</sub> with charge balance achieved via the introduction of Ti vacancies rather than the reduction of Ti. Our work here investigates the interface between this fluorinated titanate with cationic vacancies and a<br>monolayer of water via density functional theory based molecular dynamics. We compute the projected density of states for only those atoms at the interface and for those states that fall within 1eV of the Fermi energy for various steps throughout the simulation, and we determine that the<br>variation in this representation of the density of states serves as a reasonable tool to anticipate where surfaces are most likely to be reactive. In particular, we conclude that water dissociation at the surface is the main mechanism that influences the anatase (001) surface whereas the change in<br>the density of states at the surface of the fluorinated structure is influenced primarily through the adsorption of water molecules at the surface.

A First-Principles Computational Comparison of the Aqueous Anatase TiO2 (001) Interface and the Disordered, Fluorinated TiO2 Interface

2018 ◽  
Author(s):  
Kyle Reeves ◽  
Damien Dambournet ◽  
Christel Laberty-Robert ◽  
Rodolphe Vuilleumier ◽  
Mathieu Salanne
Keyword(s):  
Density Of States ◽  
Density Functional ◽  
Water Dissociation ◽  
Water Molecules ◽  
Chemical Doping ◽  
Charge Balance ◽  
Functional Theory ◽  
Adsorption Of Water ◽  
Properties Of Materials ◽  
Computational Comparison

Chemical doping and other surface modifications have been used to engineer the bulk properties of materials, but their influence on the surface structure and consequently the surface chemistry are often unknown. Previous work has been successful in fluorinating anatase TiO<sub>2</sub> with charge balance achieved via the introduction of Ti vacancies rather than the reduction of Ti. Our work here investigates the interface between this fluorinated titanate with cationic vacancies and a<br>monolayer of water via density functional theory based molecular dynamics. We compute the projected density of states for only those atoms at the interface and for those states that fall within 1eV of the Fermi energy for various steps throughout the simulation, and we determine that the<br>variation in this representation of the density of states serves as a reasonable tool to anticipate where surfaces are most likely to be reactive. In particular, we conclude that water dissociation at the surface is the main mechanism that influences the anatase (001) surface whereas the change in<br>the density of states at the surface of the fluorinated structure is influenced primarily through the adsorption of water molecules at the surface.

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