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Mehrdad Rostami Osanloo, Ali Saadat, Maarten L. Van de Put +2
Using first-principles calculations, we investigate six transition-metal nitride halides (TMNHs): HfNBr, HfNCl, TiNBr, TiNCl, ZrNBr, and ZrNCl as potential van der Waals (vdW) diel…