First-Principles Electronic Transport Study of Ti3C2O2 and Ti3C2F2 MXenes for Triacetone Triperoxide Resistive Sensing
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XYZ files of studied relaxed configurations: a) Configurations used for Siesta calculations of adsorption energy, DOS, PDOS and CDD. b) Configurations used in TranSiesta transport calculations contain designation transport in the filename.
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Zenodo创建时间：
2025-11-26
