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In situ Neutron Diffraction on DxNb2O5

Abstract DxNb2O5 is thermodynamically unstable. Therefore, neutron diffraction measurements were performed in the electrochemical cell used for the intercalation of deuterium into sintered Nb2O5 powder samples. Diffraction patterns were recorded at equilibrium potentials of -443, -428, -332 and -197 mV vs. NHE (corresponding to x = 0.232, x = 0.23, x = 0.21 and x = 0.06). The structural changes in Nb2O5 caused by the deuterium insertion are small but could be determined reproducibly. The lattice parameters of the host lattice exhibit a characteristic dependence on the deuterium content of the bronze. A model has been developed for the partially inhomogeneous distribution of the deuterium in the Nb2O5 unit cell, which explains the changes of the peak intensities observed in the low angle region (6° ≤ 2θ ≤ 18°) .