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Nb<sub>2</sub>CT<i><sub>x</sub></i> MXene Derived Polymorphic Nb<sub>2</sub>O<sub>5</sub>

Lanju Sun, Jikai Sun, Shengliang Zhai, Hongyan Yang, Xiaokang Chen, Wei Deng, Hao Wu

2023Small13 citationsDOI

Abstract

Abstract Previously, heat treatment was the only feasible route for tuning the crystal phases of niobium pentoxide (Nb 2 O 5 ). With the use of Nb 2 CT x MXene precursors, the first case of phase tuning of Nb 2 O 5 in the low‐temperature hydrothermal synthesis using sulfuric acid regulating agents is presented. By varying the amount of the agent, four pure‐phase Nb 2 O 5 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 Nb 2 O 5 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.

Topics & Concepts

Materials scienceNiobium pentoxidePhase (matter)Crystal (programming language)Density functional theoryHydrothermal circulationNiobiumNiobium oxideHydrothermal synthesisSulfuric acidChemical engineeringCrystallographyComputational chemistryChemistryOrganic chemistryMetallurgyProgramming languageComputer scienceEngineeringMXene and MAX Phase MaterialsAdvanced Photocatalysis TechniquesAdvanced Memory and Neural Computing
Nb<sub>2</sub>CT<i><sub>x</sub></i> MXene Derived Polymorphic Nb<sub>2</sub>O<sub>5</sub> | Litcius