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Assessing (Mo2/3Sc1/3)2C and (Mo2/3Sc1/3)2CT2 (T = −O, −OH, and −F) i-MXenes as High-Performance Electrode Materials for Lithium and Non-Lithium Ion Batteries
The impacts of molecular adsorption on antiferromagnetic MnPS 3 monolayers: enhanced magnetic anisotropy and intralayer Dzyaloshinskii–Moriya interaction
First-principles calculations of the mechanical, electronic, and thermal properties of Cr3XN (X = Ga, Pd, Pt, Sn, As, Ge) type materials with anti-perovskite structure
Enhancing the Curie Temperature in Cr2Ge2Te6 via Charge Doping: A First-Principles Study
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