We reexamined the protonic locations in the phase of hydrogen molybdenum bronze (H0.26MoO3) with the lowest hydrogen content by lineshape analysis using a computer simulation, in which we dealt with systems containing more than three protons. NMR spectra were simulated for various models with a variety of protonic arrangements and linear combinations of the models were tested for whether they could reproduce observed spectra. Spectra for the six-proton cluster models, which were suggested for H0.33MoO3by Adamset al.(Acta Crystallogr. Sect. B49, 958 (1993)), were also simulated. Then, it was suggested that 3- to 5-proton clusters existed in the bronze.
K. Eda, N. Sotani, M. Kunitomo
IEEE Journal of Solid-state Circuits