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Year
Effect of acceptor dopants on the proton mobility in : A density functional investigation
ME Björketun, PG Sundell, G Wahnström
Physical Review B 76 (5), 054307, 2007
1982007
Thermodynamics of doping and vacancy formation in perovskite oxide from density functional calculations
PG Sundell, ME Björketun, G Wahnström
Physical Review B 73 (10), 104112, 2006
1912006
Structure and thermodynamic stability of hydrogen interstitials in BaZrO 3 perovskite oxide from density functional calculations
ME Björketun, PG Sundell, G Wahnström
Faraday Discussions 134, 247-265, 2007
1492007
Density-functional calculations of prefactors and activation energies for H diffusion in
PG Sundell, ME Björketun, G Wahnström
Physical Review B 76 (9), 094301, 2007
1342007
Vibrational properties of protons in hydrated
M Karlsson, ME Björketun, PG Sundell, A Matic, G Wahnström, D Engberg, ...
Physical Review B 72 (9), 094303, 2005
1112005
A kinetic Monte Carlo study of proton diffusion in disordered perovskite structured lattices based on first-principles calculations
ME Björketun, PG Sundell, G Wahnström, D Engberg
Solid State Ionics 176 (39-40), 3035-3040, 2005
1062005
Self-trapping and diffusion of hydrogen in Nb and Ta from first principles
PG Sundell, G Wahnström
Physical Review B 70 (22), 224301, 2004
652004
Activation energies for quantum diffusion of hydrogen in metals and on metal surfaces using delocalized nuclei within the density-functional theory
PG Sundell, G Wahnström
Physical review letters 92 (15), 155901, 2004
622004
Using neutron spin− echo to investigate proton dynamics in proton-conducting perovskites
M Karlsson, D Engberg, ME Bjorketun, A Matic, G Wahnstrom, PG Sundell, ...
Chemistry of Materials 22 (3), 740-742, 2010
592010
Quantum motion of hydrogen on using first-principles calculations
PG Sundell, G Wahnström
Physical Review B 70 (8), 081403, 2004
402004
Hydrogen tunneling on a metal surface: A density-functional study of H and D atoms on Cu (0 0 1)
PG Sundell, G Wahnström
Surface science 593 (1-3), 102-109, 2005
212005
Dynamics, dynamical systems, lattice effects, quantum solids-Density-functional calculations of prefactors and activation energies for H diffusion in BaZrO3
PG Sundell, ME Bjorketun, G Wahnstrom
Physical Review-Section B-Condensed Matter 76 (9), 94301-94400, 2007
22007
Structure, structural phase transitions, mechanical properties, defects-Thermodynamics of doping vacancy formation in BaZrO3 perovskite oxide from density functional calculations
PG Sundell, ME Bjorketun, G Wahnstrom
Physical Review-Section B-Condensed Matter 73 (10), 104112-104112, 2006
12006
Dynamics, dynamical systems, lattice effects, quantum solids-Effect of acceptor dopants on the proton mobility in BaZrO3: A density functional investigation (9 pages)-
ME Bjorketun, PG Sundell, G Wahnstrom
Physical Review-Section B-Condensed Matter 76 (5), 54307-54307, 2007
2007
BaZrO3ペロブスカイト酸化物内の水素格子間原子の密度汎関数計算による構造及び熱力学安定性
ME BJOERKETUN, PG SUNDELL, G WAHNSTROEM
Faraday Discuss 134, 247-265, 2007
2007
Quantum aspects of hydrogen in metals and oxides from density-functional calculations
P Sundell
Doktorsavhandlingar vid Chalmers Tekniska Hogskola, 1-67, 2006
2006
A first-principles study of quantum behavior of hydrogen in bulk metals and on metal surfaces
P Sundell
Chalmers tekniska högsk., 2004
2004
RAPID COMMUNICATIONS-Surface physics, low-dimensional systems, and related topics-Quantum motion of hydrogen on Cu (001) using first-principles calculations
PG Sundell, G Wahnstrom
Physical Review-Section B-Condensed Matter 70 (8), 81403R, 2004
2004
Condensed Matter: Structure, etc.-Activation Energies for Quantum Diffusion of Hydrogen in Metals and on Metal Surfaces using Delocalized Nuclei within the Density-Functional …
PG Sundell, G Wahnstrom
Physical Review Letters 92 (15), 155901-156100, 2004
2004
Cubic Perovskite Proton Conductors; Synthesis, Structure & Vibrational spectroscopy
I Ahmed, SG Eriksson, P Berastegui, J Eriksen, H Rundlöf, M Karlsson, ...
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