J. Maier

Publication List Details

Period

1956 - 2008

Number

349

Co-Authors

The first principles calculations of the atomic and electronic structure of cubic and orthorhombic LaMnO3 surfaces (2008)

Mastrikov, Yu. A., Kotomin, E. A., Heifets, E., Maier, J.

Combining GGA-plane wave approach as implemented into the VASP - 4.6.19 computer code with a slab model, we studied in detail the atomic and electronic structure of the LaMnO3 surfaces, in both cubic...

Elasticity of solids with a large concentration of point defects (2006)

Greenberg, M., Wachtel, E., Lubomirsky, I., Fleig, J., Maier, J.

The elastic behavior of solids with a large concentration of interacting point defects has been analyzed. The analysis predicts that, in such solids, mechanical stress may be partially relieved by a...

Nitrogen-doped zirconia: A comparison with cation stabilized zirconia (2006)

Lerch, M., Maier, J.

The conductivity behavior of nitrogen-doped zirconia is compared with that of zirconia doped with lower-valent cations and discussed in the framework of defect-defect interactions. While nominally...

Thermodynamic stability and disordering in LacSr1-cMnO3 solid solutions (2006)

Fuks, D., Bakaleinikov, L., Kotomin, E. A., Felsteiner, J., Gordon, A., Evarestov, R. A., ...

Two different types of ab initio electronic and atomic structure calculations for ordered solid solutions are combined with solid solution thermodynamics in a study of the Sr-doped LaMnO3. Unlike Ba...

Mesoscopic electrical conduction in nanocrystalline SrTiO3 (2006)

Balaya, P., Jamnik, J., Fleig, J., Maier, J.

Detailed impedance analysis of dense nanocrystalline SrTiO3 ceramics in comparison to microcrystalline samples gives direct and unambiguous evidence of a space charge overlap as a characteristic size...

First-principles calculations of the atomic and electronic structure of F centers in the bulk and on the (001) surface of SrTiO3 (2006)

Carrasco, J., Illas, F., Lopez, N., Kotomin, E. A., Zhukovskii, Y. F., Evarestov, R. A., ...

The atomic and electronic structure, formation energy, and the energy barriers for migration have been calculated for the neutral O vacancy point defect (F center) in cubic SrTiO3 employing various...

On the origin of the lattice constant anomaly in nanocrystalline ceria (2006)

Kossoy, A., Feldman, Y., Wachtel, E., Gartsman, K., Lubomirsky, I., Fleig, J., ...

The lattice parameter of nanocrystalline ceria films prepared by sputtering was monitored as a function of annealing temperature. Within the temperature range of 150-420 degrees C, an equilibrium...

Generalised Maxwell-Garnett equation: application to electrical and chemical transport (2006)

Jamnik, J., Kalnin, J. R., Kotomin, E. A., Maier, J.

In this paper we discuss the implementation of different equilibrium concentrations in each of the phases into the Maxwell-Garnett effective medium formula for diffusion in heterogeneous media. We...

Evidence for interfacial-storage anomaly in nanocomposites for lithium batteries from first-principles simulations (2006)

Zhukovskii, Y. F., Balaya, P., Kotomin, E. A., Maier, J.

We present theoretical support for a mass storage anomaly proposed for nanocomposites in the context of lithium batteries which forms the transition between an electrostatic capacitive mechanism and...

Extremely high silver ionic conductivity in composites of silver halide (AgBr, AgI) and mesoporous alumina (2006)

Yamada, H., Bhattacharyya, A. J., Maier, J.

The silver ionic conductivity in heterogeneous systems of AgBr:Al2O3 and AgI:Al2O3 is highly enhanced by utilizing mesoporous Al2O3 as the insulating phase. The highest Ag+ conductivity of 3.1 X...

Thermodynamic properties of BaCeO3 and BaZrO3 at low temperatures (2006)

Ahrens, M., Maier, J.

Specific heat capacities (C-p) of polycrystalline samples of BaCeO3 and BaZrO3 have been measured from about 1.6 K up to room temperature by means of adiabatic calorimetry. We provide corrected...

Intermediate temperature proton conductors based on phosphonic acid functionalized oligosiloxanes (2006)

Steininger, H., Schuster, M., Maier, J.

Fully immobilized phosphonic acid based proton conductors, where phosphonic acid groups are tethered to cyclic siloxanes via flexible alkane spacers, are synthesized. Unlike conventional hydrated...

Composite effects in poly(ethylene oxide)-succinonitrile based all-solid electrolytes (2006)

Maier, J.

New types of poly(ethylene oxide) (PEO)-based composite polymer electrolyte membranes, prepared by adding succitionitrile (SN) as a solid plasticizer, and lithium bis-trifluoromethanesulphonimide...

New class of soft matter electrolytes obtained via heterogeneous doping: Percolation effects in `soggy sand' electrolytes (2006)

Bhattacharyya, A. J., Maier, J., Bock, R., Lange, F. F.

Percolation effects observed in the ionic conductivity variation with oxide volume fraction in "soggy sand" electrolytes [A non-aqueous electrolyte and a battery, a supercapacitor, and electrochromic...

Ba0.5Sr0.5Co0.8Fe0.2O3-δ thin film microelectrodes investigated by impedance spectroscopy (2006)

Baumann, F. S., Fleig, J., Maier, J.

The electrochemical properties of geometrically well-defined Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) microelectrodes have been investigated by impedance spectroscopy. The microelectrodes of 20-100 pm...

About the choice of the protogenic group in polymer electrolyte membranes: Ab initio modelling of sulfonic acid, phosphonic acid, and imidazole functionalized alkanes (2006)

Paddison, S. J., Maier, J.

The possible use of sulfonic acid, phosphonic acid, or imidazole as the protogenic group in polymer electrolyte membranes for fuel cells operating at intermediate temperature (T > 100 degrees C) and...

An XAS study of the local environment of ions in soggy sand electrolytes (2006)

Edwards, W. V., Bhattacharyya, A. J., Chadwick, A. V., Maier, J.

In this paper via X-ray absorption spectroscopy (XAS) studies we discuss the local ion environment in two different "soggy sand" electrolyte systems: RbBr in ethylene carbonate-dimethyl carbonate...

Preparation and characterization of AgI nanoparticles with controlled size, morphology and crystal structure (2006)

Maier, J.

AgI nanoparticles were prepared by solution-based routes using water-soluble anionic or cationic polyelectrolytes as capping agents. Depending on the polyelectrolytes, AgI nanoparticles with...

Numerical study of grain boundary diffusion in nanocrystalline ionic materials including blocking space charges (2006)

Gryaznov, D., Fleig, J., Maier, J.

Diffusion in two grain boundary networks (parallel boundaries and square grains) was considered in order to analyze the effects of space charge layers on diffusion profiles. The space charge zones...

Comparative density-functional LCAO and plane-wave calculations of LaMnO3 surfaces (2005)

Evarestov, R. A., Kotomin, E. A., Mastrikov, Yu. A., Gryaznov, D., Heifets, E., Maier, J.

We compare two approaches to the atomic, electronic, and magnetic structures of LaMnO3 bulk and the (001), (110) surfaces—hybrid B3PW with optimized LCAO basis set (CRYSTAL-2003 code) and GGA-PW91...