2018
DOI: 10.1016/j.apsusc.2018.08.010
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A first-principles study of 2D antimonene electrodes for Li ion storage

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Cited by 46 publications
(25 citation statements)
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“…They noticed that the Li adsorption energies on monolayer Sb vary from 1.70 to 1.91 eV with a charge transfer of ~0.85|e|, indicating the adsorption is relatively strong, as shown in Figure 6b,c. It is interesting to note that the semi-metallic monolayer Sb exhibits a semiconductor to metal transition (see Figure 6d) upon Li intercalation, accompanied by significant electron transfer from Li to Sb, consistent with earlier reports on different 2D materials [51]. The study also investigated the diffusion barrier of Li atoms on the surface of monolayer Sb and observed fast diffusion with a low energy barrier of 0.20 eV.…”
Section: Theoretical Studies On Sb and Sb-based Nanostructuressupporting
confidence: 87%
“…They noticed that the Li adsorption energies on monolayer Sb vary from 1.70 to 1.91 eV with a charge transfer of ~0.85|e|, indicating the adsorption is relatively strong, as shown in Figure 6b,c. It is interesting to note that the semi-metallic monolayer Sb exhibits a semiconductor to metal transition (see Figure 6d) upon Li intercalation, accompanied by significant electron transfer from Li to Sb, consistent with earlier reports on different 2D materials [51]. The study also investigated the diffusion barrier of Li atoms on the surface of monolayer Sb and observed fast diffusion with a low energy barrier of 0.20 eV.…”
Section: Theoretical Studies On Sb and Sb-based Nanostructuressupporting
confidence: 87%
“…Afterwards, mechanical isolation [73], liquid-phase exfoliation [74], aqueous shear exfoliation [75], molecular beam epitaxy [76], van der Waals epitaxy growth [77] and so forth have been demonstrated to obtain high-quality few-layer Sb exfoliated nanosheets. From the view of first-principles calculations, antimonene exhibits high specific capacity, a small diffusion barrier and low lattice expansion as an anode for SIBs [78,79] and shows relatively small structure deformation upon Li adsorption [80]. Notably, Su et al proposed a trilayer graphene/antimonene/graphene heterostructure as a potential anode, and their calculation results confirmed that a heterostructure can provide strong binding with Na and a low-migration barrier for Na (Figure 4c-h) [81].…”
Section: Sb/carbenecous Compositementioning
confidence: 90%
“…Su et al showed that nano-scale modification is an alternative strategy to improve the cycling performance of Sb in LIBs. 264 They systematically investigated the Li adsorption of monolayer antimonene using first-principles calculations based on vdW corrected DFT. b-Phase monolayer antimonene with a buckled hexagonal structure was selected for their calculation because of its higher thermodynamic stability as shown in Fig.…”
Section: Phosphorenementioning
confidence: 99%