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Solid State Ionics, ISSN 0167-2738, 08/2017, Volume 306, p. 137
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.ssi.2017.04.004 We... 
Grain boundaries | Protons | Segregation | Analysis | Density functionals
Journal Article
Solid State Ionics, ISSN 0167-2738, 08/2015, Volume 279, pp. 60 - 65
We theoretically investigate proton conductivity at the Σ3 (111)/[11¯0] tilt grain boundary of barium zirconate using density functional theory. In order to... 
Proton conductivity | Structural disorder | Density functional theory | Barium zirconate | Grain boundary | Space charge layer
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 07/2015, Volume 397, pp. 95 - 102
New isobaric vapor–liquid equilibrium data were measured for the binary mixtures of dimethoxymethane + dimethyl carbonate, methyl methanoate + dimethyl... 
Activity coefficient | Methyl methanoate | Dimethyl carbonate | Vapor–liquid equilibria | Dimethoxymethane | Vapor-liquid equilibria | Esters | Carbonates | Analysis | Formic acid | Dimethyl | Fluids | Computational fluid dynamics | Fluid flow | Phase equilibria | Mathematical models | Binary mixtures
Journal Article
Biofuels, Bioproducts and Biorefining, ISSN 1932-104X, 09/2008, Volume 2, Issue 5, pp. 438 - 454
Journal Article
Computational Materials Science, ISSN 0927-0256, 12/2019, Volume 170
We studied the energetically-favorable distribution of oxygen vacancies and metal atoms in perovskite BaCe Zr Y O solid solution structures using a genetic... 
Fuel cell electrolyte | Genetic algorithm | Lattice statics | Solid solution
Journal Article
Solid State Ionics, ISSN 0167-2738, 10/2015, Volume 279, p. 60
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.ssi.2015.07.018 We... 
Grain boundaries | Zirconium | Barium | Segregation | Analysis | Density functionals | Electric properties
Journal Article
Solid State Ionics, ISSN 0167-2738, 10/2015, Volume 279, pp. 60 - 65
We theoretically investigate proton conductivity at the tilt grain boundary of barium zirconate using density functional theory. In order to evaluate the space... 
Proton conductivity | Structural disorder | Density functional theory | Barium zirconate | Grain boundary | Space charge layer
Journal Article
Solid State Ionics, ISSN 0167-2738, 10/2015, Volume 279, p. 60
We theoretically investigate proton conductivity at the [SIGMA]3(111)/(110) tilt grain boundary of barium zirconate using density functional theory. In order... 
Grain boundaries | Zirconium | Barium | Segregation | Analysis | Density functionals | Electric properties
Journal Article
Solid State Ionics, ISSN 0167-2738, 08/2017, Volume 306, pp. 137 - 141
We investigated proton conduction across and along energetically favorable BaO– and ZrO –terminated (001) BaZrO surfaces by using density functional theory.... 
Proton conduction | Density functional theory | Surface | AUGMENTED-WAVE METHOD | PHYSICS, CONDENSED MATTER | CHEMISTRY, PHYSICAL | SPACE-CHARGE | DOPED BARIUM ZIRCONATE | TOTAL-ENERGY CALCULATIONS | SEGREGATION | 1ST PRINCIPLES | METALS | GRAIN-BOUNDARY | BASIS-SET | POINTS
Journal Article
Applied Thermal Engineering, ISSN 1359-4311, 06/2016, Volume 103, pp. 1071 - 1076
Compact Submerged Combustion Vaporizers (SCVs) are in demand as increased number of natural gas powered engine is being installed for their high efficiency and... 
Porous media | Thermodynamics | Heat exchanger | Heat transfer | Optimization | MECHANICS | HEAT-TRANSFER | ENERGY & FUELS | GENERATION MINIMIZATION | ENGINEERING, MECHANICAL | EXCHANGER | Analysis | Combustion | Methods
Journal Article
Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, 11/2015, Volume 15, Issue 11, pp. 8584 - 8588
We theoretically analyzed proton conductivity at the σ3 tilt grain boundary (GB) of barium cerate using density functional theory. Two types of positively... 
Proton conductivity | Density functional theory | Barium cerate | Grain boundary
Journal Article
Solid State Ionics, ISSN 0167-2738, 01/2015, Volume 279, pp. 60 - 65
We theoretically investigate proton conductivity at the [Sigma]3(lll)/[110] tilt grain boundary of barium zirconate using density functional theory. In order... 
Grain boundaries | Vacancies | Barriers | Segregations | Density functional theory | Tilt | Mathematical models | Electrostatics | Barium zirconates
Journal Article
ACS Applied Materials & Interfaces, ISSN 1944-8244, 10/2016, Volume 8, Issue 39, pp. 26073 - 26081
A simple and fast method of atmospheric plasma-induced grafting was applied over a polyethylene membrane to enhance its performance as a separator for... 
Research | plasma | separator | Li-ion battery | grafting | polyampholyte | CELLS | MEMBRANE | MATERIALS SCIENCE, MULTIDISCIPLINARY | ELECTRODES | NANOSCIENCE & NANOTECHNOLOGY | METHACRYLATE | SEI LAYER | RESISTANCE | COPOLYMERIZATION | ELECTROCHEMICAL PERFORMANCE | SURFACES
Journal Article
Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, 11/2015, Volume 15, Issue 11, pp. 8584 - 8588
We theoretically analyzed proton conductivity at the capital sigma 3 tilt grain boundary (GB) of barium cerate using density functional theory. Two types of... 
Vacancies | Mathematical analysis | Segregations | Density functional theory | Tilt | Nanostructure | Boundaries | Defects
Journal Article
Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, 05/2013, Volume 13, Issue 5, pp. 3564 - 3567
The initial reaction of dimethylaluminum isopropoxide (Al(CH(3))(2)OC(3)H(7), DMAI) with a fully hydrogen-terminated Si (001) surface for aluminum oxide... 
Methane | Nanocomposites | Aluminum | Byproducts | Density functional theory | Silicon | Nanostructure | Aluminum oxide
Journal Article
Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, 10/2014, Volume 14, Issue 10, pp. 7816 - 7820
The initial oxidation of a gallium arsenide (001)-[beta]2(2 x 4) surface with an oxygen molecule was investigated using density functional theory. The oxygen... 
Scanning | Arsenic | Gallium arsenide | Barriers | Density functional theory | Oxidation | Energy of dissociation | Microscopes
Journal Article
Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, 2014, Volume 14, Issue 10, pp. 7816 - 7820
The initial oxidation of a gallium arsenide (001)-β2(2 x 4) surface with an oxygen molecule was investigated using density functional theory. The oxygen... 
Density functional theory | GaAs -β2(2 x 4) surface | Dissociation of oxygen molecule | Initial oxidation
Journal Article
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