Previously, heat treatment was the only feasible route for tuning the crystal phases of niobium pentoxide (Nb2 O5 ). With the use of Nb2 CTx MXene precursors, the first case of phase tuning of Nb2 O5 in the low-temperature hydrothermal synthesis using sulfuric acid regulating agents is presented. By varying the amount of the agent, four pure-phase Nb2 O5 crystals and mixed phases in-between are obtained. The required amount is found to be related to the H-covered surface energy calculated based on density functional theory. Overall, MXene-derived B-phase Nb2 O5 is of particular interest due to its exceptionally high capacities as lithium-ion battery anodes, which are three times higher than the routine synthesized one. Oxygen vacancies induced by crystallographic shear would be responsible for the extraordinary performance. The proposed phase tuning strategy encourages the prudent synthesis of difficult-to-obtain crystal phases.
Keywords: MXene; Nb 2CT x; Nb 2O 5; crystal phases; surface energy.
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