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Article

Diversified Phenomena in Metal- and Transition-Metal-Adsorbed Graphene Nanoribbons

1
Department of Physics, National Chung Cheng University, Chiayi 621301, Taiwan
2
Hierarchical Green-Energy Materials (Hi-GEM) Research Center, National Cheng Kung University, Tainan 70101, Taiwan
3
Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan
4
Quantum Topological Center, National Cheng Kung University, Tainan 70101, Taiwan
*
Author to whom correspondence should be addressed.
Academic Editor: Antonio Di Bratolomeo
Nanomaterials 2021, 11(3), 630; https://doi.org/10.3390/nano11030630
Received: 29 January 2021 / Revised: 20 February 2021 / Accepted: 25 February 2021 / Published: 3 March 2021
(This article belongs to the Section 2D and Carbon Nanomaterials)
Adatom-adsorbed graphene nanoribbons (GNRs) have gained much attention owing to the tunable electronic and magnetic properties. The metal (Bi, Al)/transition metal (Ti, Fe, Co, Ni) atoms could provide various outermost orbitals for the multi-orbital hybridizations with the out-of-plane π bondings on the carbon honeycomb lattice, which dominate the fundamental properties of chemisorption systems. In this study, the significant similarities and differences among Bi-/Al-/Ti-/Fe-/Co-/Ni-adsorbed GNRs are thoroughly investigated by using the first-principles calculations. The main characterizations include the adsorption sites, bond lengths, stability, band structures, charge density distributions, spin- and orbital-projected density of states, and magnetic configurations. Furthermore, there exists a transformation from finite gap semiconducting to metallic behaviors, accompanied by the nonmagnetism, antiferromagnetism, or ferromagnetism. They arise from the cooperative or competitive relations among the significant chemical bonds, finite-size quantum confinement, edge structure, and spin-dependent many-body effects. The proposed theoretical framework could be further improved and generalized to explore other emergent 1D and 2D materials. View Full-Text
Keywords: graphene nanoribbon; first-principles; adsorption; electronic; magnetic graphene nanoribbon; first-principles; adsorption; electronic; magnetic
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MDPI and ACS Style

Lin, S.-Y.; Tran, N.T.T.; Lin, M.-F. Diversified Phenomena in Metal- and Transition-Metal-Adsorbed Graphene Nanoribbons. Nanomaterials 2021, 11, 630. https://doi.org/10.3390/nano11030630

AMA Style

Lin S-Y, Tran NTT, Lin M-F. Diversified Phenomena in Metal- and Transition-Metal-Adsorbed Graphene Nanoribbons. Nanomaterials. 2021; 11(3):630. https://doi.org/10.3390/nano11030630

Chicago/Turabian Style

Lin, Shih-Yang, Ngoc Thanh Thuy Tran, and Ming-Fa Lin. 2021. "Diversified Phenomena in Metal- and Transition-Metal-Adsorbed Graphene Nanoribbons" Nanomaterials 11, no. 3: 630. https://doi.org/10.3390/nano11030630

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