TY - JOUR
T1 - Multiple deuterium occupancy of vacancies in Pd and related metals
AU - Nordlander, P.
AU - Nørskov, Jens Kehlet
AU - Besenbacher, F.
AU - Myers, S. M.
N1 - Copyright (1989) by the American Physical Society.
PY - 1989
Y1 - 1989
N2 - The binding energies of up to six deuterium atoms into monovacancies of Pd, Ni, Fe, Cu, Nb, and Mo have been calculated using the effective-medium theory. For all metals it is found that at least six D atoms can be accommodated in the vacancy. Of the systems studied the deuterium-deuterium interaction is found to be least repulsive for Pd. This multiple occupancy of the vacancy defect can have potentially significant implications for the recently proposed fusion of D atoms in Pd.
AB - The binding energies of up to six deuterium atoms into monovacancies of Pd, Ni, Fe, Cu, Nb, and Mo have been calculated using the effective-medium theory. For all metals it is found that at least six D atoms can be accommodated in the vacancy. Of the systems studied the deuterium-deuterium interaction is found to be least repulsive for Pd. This multiple occupancy of the vacancy defect can have potentially significant implications for the recently proposed fusion of D atoms in Pd.
U2 - 10.1103/PhysRevB.40.1990
DO - 10.1103/PhysRevB.40.1990
M3 - Journal article
VL - 40
SP - 1990
EP - 1992
JO - Physical Review B (Condensed Matter and Materials Physics)
JF - Physical Review B (Condensed Matter and Materials Physics)
SN - 1098-0121
IS - 3
ER -