2017
DOI: 10.1016/j.matchemphys.2017.07.049
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First-principles calculations on small MgnZn and Mgn-1Zn2 clusters: Structures, stability, electronic properties

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Cited by 23 publications
(3 citation statements)
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“…In conclusion, based on the small size of AuMg n-1 or smaller, AuMg n ( n = 2–12) nanoclusters can usually be formed by adsorption of Mg atoms in different directions, and the interesting point is that the direction of adsorption does not have a fixed pattern. Such result is consistent with many existed Mg-based nanoclusters reported ( Li et al, 2017 ; Zeng et al, 2020 , 2021 ; Zhu et al, 2020 ). However, despite the many similarities, the structures of gold-doped Mg nanoclusters have unique properties compared to other Mg-based nanoclusters studies.…”
Section: Resultssupporting
confidence: 93%
See 1 more Smart Citation
“…In conclusion, based on the small size of AuMg n-1 or smaller, AuMg n ( n = 2–12) nanoclusters can usually be formed by adsorption of Mg atoms in different directions, and the interesting point is that the direction of adsorption does not have a fixed pattern. Such result is consistent with many existed Mg-based nanoclusters reported ( Li et al, 2017 ; Zeng et al, 2020 , 2021 ; Zhu et al, 2020 ). However, despite the many similarities, the structures of gold-doped Mg nanoclusters have unique properties compared to other Mg-based nanoclusters studies.…”
Section: Resultssupporting
confidence: 93%
“…However, despite the many similarities, the structures of gold-doped Mg nanoclusters have unique properties compared to other Mg-based nanoclusters studies. For example, the structure of AuMg 3 nanoclusters is 2D planar, while the lowest energy heterostructures of Be ( Zeng et al, 2020 ), Si ( Zhu et al, 2020 ), C, Ge, Sn ( Zeng et al, 2021 ), Zn-doped ( Li et al, 2017 ) Mg nanoclusters of corresponding sizes are all ortho-tetrahedral in shape. Interestingly, although the ground-state structures of AuMg 9 and BeMg 9 ( Zeng et al, 2020 ) look similar, the significant difference between them is that the Au atom locates on the surface of AuMg 9 while the Be atom is absorbed into the inside of BeMg 9 .…”
Section: Resultsmentioning
confidence: 99%
“…In cluster structure prediction, many studies have successfully revealed its validity. [42][43][44][45][46][47][48][49][50] For each cluster size, there are more than 800 structurally different isomers located at 20 generations. It provides 50 structures in each generation, 70% of which are generated by PSO and the rest are newly produced.…”
Section: Methodsmentioning
confidence: 99%