16 July 2025 Wed 4 pm

In this talk, I will introduce our first-principles studies on low-dimensional nanostructures. First, we discuss electromigration mechanism for adsorbates on graphene [1]. We show that the resonant electron-impurity scattering significantly amplify electromigration forces on adsorbates. Our results provide new insight for understanding and controlling how nanoscale objects behave on host materials. Second, we explore the magnetic and electronic properties of one-dimensional (1D) MX3 (M=Cr,V, X=Cl,Br,I) single chains encapsulated in carbon nanotubes [2]. Our calculations reveal 1D flat bands, and electrically tunable magnetism. We also discuss future opportunities for discovering new single-chain materials and realizing ultra-scaled atomic electronics based on them.

[1] Y. W. Choi and M. L. Cohen, Phys. Rev. Lett. 129, 206801 (2022).

[2] Y. Lee†, Y. W. Choi†, K. Lee, C. Song, P. Ercius, M. L. Cohen, K. Kim, and A. Zettl,

Adv. Mater. 35, 2307942 (2023).

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