Fig. 1: Structure and composition analysis of α-MoO3 and e-MoO3.

a Schematic representation of expansion process from pristine α-MoO3 (left), reaction with n-butyllithium (middle), to e-MoO3 with H2O molecules located at the oxygen-defect sites (right). White: Mo; Red: O; Purple: Li; Blue: H. b Digital photos of α-MoO3 (left) and e-MoO3 (right). c Rietveld refinement of XRD pattern and d high-resolution TEM image for e-MoO3.Scale bar in d 50 nm. e Mo 3d XPS profiles of α-MoO3 and e-MoO3. f TGA curves of α-MoO3 and e-MoO3 measured in nitrogen and air atmosphere. g Calculated increment in b-lattice parameter induced by H2O intercalation. The value is also compared with the calculated value of oxygen-defective MoO3−x (Mo16O47) and experimental value.