title: In-Plane Intermolecular Interaction Assisted Assembly and Modified Electronic States of Metallofullerene Gd@C₈₂.
abstract: Orientational configuration and electronic states of Gd@C82 bonding to Cu(111) have been thoroughly investigated by low-temperature scanning tunneling microscopy/spectroscopy (LT-STM/S) and differential conductance mapping complemented by first-principles calculations. We clarify that individual Gd@C82 energetically adopts tilting adsorption configuration with the scanning tunneling spectroscopy (STS) states readily assigned to the C82 cage/Cu(111) hybrid states and the Gd/cage hybrid states, respectively. Moreover, upon assembling and sufficient thermal activation, Gd@C82 fullerenes are inclined to restore the energetically favored tilting orientational configuration similar to an individual one. This suggests the feasibility of high-level integration of single-Gd@C82 based moletronic device with the performances almost unchanged by two-dimensional arrangement. Furthermore, by rationalizing the inter-Gd@C82 interaction induced slight energy offset of the electronic states, we qualitatively confirm the shown electronic hybrid states as Cu(111)-, C82 cage- and Gd-dominant hybrid states, respectively.
authors.affiliation: State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences , Wuhan 430071, P. R. China.
authors.forename: Jian
authors.initials: J
authors.lastname: Chen
authors.affiliation: State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences , Wuhan 430071, P. R. China.
authors.forename: Zhihui
authors.initials: Z
authors.lastname: Qin
authors.affiliation: Institute of Physics, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: Jinbo
authors.initials: J
authors.lastname: Pan
authors.affiliation: State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences , Wuhan 430071, P. R. China.
authors.forename: Min
authors.initials: M
authors.lastname: Huang
authors.affiliation: Institute of Physics, Chinese Academy of Sciences , Beijing 100190, P. R. China.
authors.forename: Shixuan
authors.initials: S
authors.lastname: Du
authors.affiliation: State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences , Wuhan 430071, P. R. China.
authors.forename: Gengyu
authors.initials: G
authors.lastname: Cao
mesh_terms: D037741:Fullerenes / Q000737:chemistry*; D005682:Gadolinium / Q000737:chemistry*; D016252:Microscopy, Scanning Tunneling
chemical_list: D037741:Fullerenes; D005682:Gadolinium