Effect of acceptor dopants on the proton mobility in : A density functional investigation ME Björketun, PG Sundell, G Wahnström Physical Review B—Condensed Matter and Materials Physics 76 (5), 054307, 2007 | 204 | 2007 |
Thermodynamics of doping and vacancy formation in perovskite oxide from density functional calculations PG Sundell, ME Björketun, G Wahnström Physical Review B—Condensed Matter and Materials Physics 73 (10), 104112, 2006 | 198 | 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 | 158 | 2007 |
Density-functional calculations of prefactors and activation energies for H diffusion in PG Sundell, ME Björketun, G Wahnström Physical Review B—Condensed Matter and Materials Physics 76 (9), 094301, 2007 | 138 | 2007 |
Vibrational properties of protons in hydrated M Karlsson, ME Björketun, PG Sundell, A Matic, G Wahnström, D Engberg, ... Physical Review B—Condensed Matter and Materials Physics 72 (9), 094303, 2005 | 117 | 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 | 108 | 2005 |
Self-trapping and diffusion of hydrogen in Nb and Ta from first principles PG Sundell, G Wahnström Physical Review B—Condensed Matter and Materials Physics 70 (22), 224301, 2004 | 74 | 2004 |
Activation Energies for Quantum Diffusion of Hydrogen in Metals and on Metal Surfaces<? format?> using Delocalized Nuclei within the Density-Functional Theory PG Sundell, G Wahnström Physical review letters 92 (15), 155901, 2004 | 64 | 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 | 62 | 2010 |
Quantum motion of hydrogen on using first-principles calculations PG Sundell, G Wahnström Physical Review B—Condensed Matter and Materials Physics 70 (8), 081403, 2004 | 41 | 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, ... | | |