Key Findings
Machine learning and data mining of the Materials Project and the Open Quantum Materials Database have revealed 33 previously unknown MXene structures. By expanding the chemical search parameters to include rare earth metals and light elements such as oxygen and phosphorus at the X site, researchers synthesized seven of these materials, including thorium nitride oxide. Furthermore, a machine learning algorithm was used to predict and produce 11 new rare earth-containing MXenes.
Technical Details
The researchers developed a “self-propagating high-temperature synthesis” protocol to produce 2D MXenes directly. This method eliminates the need for continuous external heating and the etching of 3D crystals, significantly reducing energy consumption and synthesis time compared to traditional methods that required weeks of high-temperature processing. The new materials were characterized using density functional theory, Raman spectroscopy, and x-ray diffraction.
The resulting rare earth MXenes exhibit properties absent in conventional versions:
- Semiconductivity: Most of the new materials are semiconducting.
- Magnetism: Ytterbium-containing MXenes are ferromagnetic, while holmium-containing MXenes are antiferromagnetic.
Background & Context
MXenes are layered inorganic materials (M = metal, X = carbon or nitrogen) first developed in 2011 by Yury Gogotsi and colleagues at Drexel University. While promising for supercapacitors and dry lubricants, conventional MXenes are limited by the need for harsh etchants like hydrofluoric acid and a lack of magnetic or semiconducting properties.
Significance & Outlook
The ability to synthesize semiconducting MXenes may allow for the development of 2D field effect transistors with higher carrier mobility than silicon. Additionally, the magnetic properties of rare earth MXenes are applicable to magnetic memories and spintronics. Researchers plan to further characterize the synthesis process to expand the chemical variety and range of properties achievable in these 2D materials.
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