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
198 2007 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
191 2006 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
149 2007 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
134 2007 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
111 2005 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
106 2005 Self-trapping and diffusion of hydrogen in Nb and Ta from first principles PG Sundell, G Wahnström
Physical Review B 70 (22), 224301, 2004
65 2004 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
62 2004 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
59 2010 Quantum motion of hydrogen on using first-principles calculations PG Sundell, G Wahnström
Physical Review B 70 (8), 081403, 2004
40 2004 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
21 2005 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
2 2007 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
1 2006 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, ...