作者: C. N. Taylor , J. P. Allain , K. E. Luitjohan , P. S. Krstic , J. Dadras
DOI: 10.1063/1.4874340
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摘要: Laboratory experiments have been used to investigate the fundamental interactions responsible for deuterium retention in lithiated graphite. Oxygen was found be present and play a key role that simulated NSTX lithium conditioning, where atomic surface concentration can increase >40% when chemistry is observed. Quantum-classical molecular dynamic simulations elucidated this oxygen-deuterium effect showed oxygen retains significantly more than matrix with 20% lithium, oxygen, 60% carbon. Simulations further show even higher removed from matrix. Experiments artificially increased content graphite ∼16% then bombarded deuterium. X-ray photoelectron spectroscopy depletion of no enhanced retention, thus demonstrating essential retaining thereby