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1 paper

cond-mat.mtrl-sci2025

First-Principles Study of Transition Metal Doped in 2D Polyaramid for Novel Material Modelling

Ravi Trivedi, Chaithanya Purushottam Bhat, Shakti S. Ray +1

We present a first--principles density functional theory (DFT) study of transition metal (TM = Ti, Cr, Mn, Fe, Co, Ni) functionalized two--dimensional polyaramid (2DPA) to explore…