Arvids Stashans
Arvids Stashans
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Theoretical study of lithium intercalation in rutile and anatase
A Stashans, S Lunell, R Bergström, A Hagfeldt, SE Lindquist
Physical Review B 53 (1), 159, 1996
Li and Na diffusion in TiO2 from quantum chemical theory versus electrochemical experiment
S Lunell, A Stashans, L Ojamäe, H Lindström, A Hagfeldt
Journal of the American Chemical Society 119 (31), 7374-7380, 1997
Adsorption of bi-isonicotinic acid on rutile
L Patthey, H Rensmo, P Persson, K Westermark, L Vayssieres, ...
The Journal of chemical physics 110 (12), 5913-5918, 1999
Calculations of the ground and excited states of F-type centers in corundum crystals
A Stashans, E Kotomin, JL Calais
Physical Review B 49 (21), 14854, 1994
Al-doped ZnO: Electronic, electrical and structural properties
F Maldonado, A Stashans
Journal of Physics and Chemistry of Solids 71 (5), 784-787, 2010
Calculations of the geometry and optical properties of F Mg centers and dimer (F 2-type) centers in corundum crystals
EA Kotomin, A Stashans, LN Kantorovich, AI Lifshitz, AI Popov, IA Tale, ...
Physical Review B 51 (14), 8770, 1995
Theoretical study of perfect and defective TiO2 crystals
A Stashans, S Lunell, RW Grimes
Journal of Physics and Chemistry of Solids 57 (9), 1293-1301, 1996
Periodic INDO calculations of organic adsorbates on a TiO2 surface
P Persson, A Stashans, R Bergström, S Lunell
International journal of quantum chemistry 70 (4‐5), 1055-1066, 1998
Quantum chemical simulations of hole self-trapping in corundum
PWM Jacobs, EA Kotomin, A Stashans, EV Stefanovich, I Tale
Journal of Physics: Condensed Matter 4 (37), 7531, 1992
Quantum-chemical simulation of Al-and Sc-bound hole polarons in BaTiO3 crystal
H Pinto, A Stashans
Computational materials science 17 (1), 73-80, 2000
Semi-empirical simulations of the electron centers in MgO crystal
RI Eglitis, MM Kuklja, EA Kotomin, A Stashans, AI Popov
Computational materials science 5 (4), 298-306, 1996
Defects in titanates
A Stashans
International journal of nanotechnology 1 (4), 399-430, 2004
Computational study of self-trapped hole polarons in tetragonal BaTiO 3
H Pinto, A Stashans
Physical Review B 65 (13), 134304, 2002
A novel model for F+ to F photoconversion in corundum crystals
EA Kotomin, AI Popov, A Stashans
Journal of Physics: Condensed Matter 6 (38), L569, 1994
Quantum-chemical studies of free and potassium-bound hole polarons in SrTiO3 cubic lattice
A Stashans
Materials chemistry and physics 68 (1-3), 124-129, 2001
Quantum-chemical studies of Nb-doped CaTiO3
F Erazo, A Stashans
Philosophical Magazine B 80 (8), 1499-1506, 2000
A quantum-chemical study of polar SrTiO3 (110) surface and oxygen-vacancy defects therein
A Stashans, S Serrano
Surface science 497 (1-3), 285-293, 2002
Periodic LUC study of F centers in cubic and tetragonal SrTiO3
A Stashans, F Vargas
Materials Letters 50 (2-3), 145-148, 2001
Oxygen-vacancy defects on the SrTiO3 (001) surface: a quantum-chemical study
A Stashans, F Erazo, J Ortiz, P Valverde
Philosophical Magazine B 81 (12), 1977-1988, 2001
A theoretical study of La-doping in strontium titanate
A Stashans, P Sánchez
Materials Letters 44 (3-4), 153-157, 2000
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