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Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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Nb2 CTx MXene Derived Polymorphic Nb2 O5.

Lanju Sun1, Jikai Sun1, Shengliang Zhai1

  • 1Institute of Molecular Sciences and Engineering, Institute of Frontier and Interdisciplinary Science, Shandong University, Qingdao, Shandong, 266237, China.

Small (Weinheim an Der Bergstrasse, Germany)
|March 23, 2023
PubMed
Summary
This summary is machine-generated.

Researchers developed a novel low-temperature hydrothermal method to tune niobium pentoxide (Nb2O5) crystal phases using sulfuric acid. This approach yields MXene-derived B-phase Nb2O5 with significantly enhanced lithium-ion battery anode capacities.

Keywords:
MXeneNb 2CT xNb 2O 5crystal phasessurface energy

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Nanotechnology

Background:

  • Traditional methods for tuning niobium pentoxide (Nb2O5) crystal phases rely on high-temperature heat treatments.
  • Controlling crystal phases is crucial for optimizing material properties, particularly for energy storage applications.
  • MXene materials offer novel precursors for synthesizing advanced inorganic compounds.

Purpose of the Study:

  • To introduce a low-temperature hydrothermal synthesis route for phase-tuning niobium pentoxide (Nb2O5).
  • To investigate the use of sulfuric acid as a regulating agent in hydrothermal synthesis of Nb2O5.
  • To explore the potential of MXene-derived Nb2O5 as high-performance anode materials for lithium-ion batteries.

Main Methods:

  • Hydrothermal synthesis utilizing Nb2CTx MXene as a precursor.
  • Controlled addition of sulfuric acid to regulate Nb2O5 crystal phase formation.
  • Density functional theory (DFT) calculations to correlate surface energy with reagent concentration.
  • Electrochemical testing of synthesized Nb2O5 materials as lithium-ion battery anodes.

Main Results:

  • Successfully obtained four pure Nb2O5 crystal phases and various mixed phases by adjusting sulfuric acid concentration.
  • Demonstrated a correlation between the required sulfuric acid amount and H-covered surface energy calculated via DFT.
  • MXene-derived B-phase Nb2O5 exhibited exceptionally high capacities as a lithium-ion battery anode, three times greater than conventionally synthesized materials.
  • Attributed the enhanced performance to oxygen vacancies induced by crystallographic shear in the B-phase Nb2O5.

Conclusions:

  • A novel, low-temperature hydrothermal strategy for tuning Nb2O5 crystal phases using sulfuric acid has been established.
  • This method enables the synthesis of difficult-to-obtain Nb2O5 phases, particularly the B-phase, from MXene precursors.
  • The findings pave the way for the development of advanced Nb2O5-based materials with superior performance in lithium-ion batteries.