Geometries, stabilities, and electronic properties analysis in InnNi(0,±1) clusters: Molecular modeling and DFT calculations

Geometries, stabilities, and electronic properties analysis in In_nNi^(0,±1) clusters: Molecular modeling and DFT calculations

Shi Shun-Ping¹, Zhang Chuan-Yu^{1, †}, Zhao Xiao-Feng¹, Li Xia¹, Yan Min¹, Jiang Gang²

(color online) HOMO–LUMO gaps, electron energies, and ionization energies for the In Ni, In Ni , and In Ni (n = 1–14) clusters versus the number of indium atoms.