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Materials Data on Na(MoO2)3 by Materials Project

NaMo2O4MoO2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two molybdenum molecules; four water molecules; and one NaMo2O4 sheet oriented in the (0, 0, 1) direction. In the NaMo2O4 sheet, Na1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.34 Å. Mo+3.67+ is bonded in a linear geometry to two equivalent O2- atoms. Both Mo–O bond lengths are 1.81 Å. O2- is bonded in a bent 150 degrees geometry to one Na1+ and one Mo+3.67+ atom.

36 MATERIALS SCIENCE↗

Controlling MoO 2 and MoO 3 phases in MoO x /CNTs nanocomposites and their application to anode materials for lithium-ion batteries and capacitors

Molybdenum oxides (MoO 2 and MoO 3 ) are attractive anode materials for Li- and Na- ion batteries. Although there have been extensive studies on them individually, systematic and comparative studies are still lacking. Here, we demonstrate a facile and straightforward synthesis method to control the phase and oxidation state in the MoO x /CNTs nanocomposites via hydrothermal reaction followed by heat-treatment. By changing the gas atmosphere during the annealing process, well-dispersed MoO 2 /CNTs and MoO 3 /CNTs nanocomposites are formed without altering their overall morphology. This strategy enables us to investigate the true structure-property correlation of MoO x /CNTs nanocomposites by comparing the structure and electrochemical properties of MoO 2 /CNTs and MoO 3 /CNTs. When tested as anode materials for lithium-ion batteries, both HT-MoO 2&3 /CNTs electrodes show much-improved cycling stability and rate performance compared to the rod-shaped bulk MoO 3 electrode. In situ Mo K-edge x-ray absorption spectroscopy (XAS) has been further employed to compare and elucidate Li + storage mechanisms of both electrodes. When employed to the negative electrode of a high-power lithium-ion capacitor (LIC), the LIC full-cell composed of HT-MoO 3 /CNTs negative and activated carbon positive electrodes demonstrates impressive energy and power densities (~ 90 Wh kg –1 with 2000 W kg –1 ) and excellent cycling stability (96.8 % capacity retention after 300 cycles), revealing the versatility of the MoO x /CNTs electrodes in energy applications.

25 ENERGY STORAGE↗