Machine-Learning-Assisted Accurate Band Gap Predictions of Functionalized MXene
Author:
Affiliation:
1. Materials Research Centre, Indian Institute of Science, Bangalore 560012, India
2. Computational Science Research Center, Korea Institute of Science and Technology (KIST), Seoul 02792, Republic of Korea
Funder
University Grants Commission
Nano Mission Council, Department of Science and Technology
Korea Institute of Science and Technology
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.chemmater.8b00686
Reference40 articles.
1. Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2
2. Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides
3. Topological insulators in the ordered double transition metalsM2′M″C2MXenes (M′=Mo, W;M″=Ti, Zr, Hf)
4. Large-Gap Quantum Spin Hall State in MXenes: d-Band Topological Order in a Triangular Lattice
5. Calorimetric Determination of Thermodynamic Stability of MAX and MXene Phases
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