A density-functional study of the structures and electronic properties of neutral, anionic, and endohedrally doped In(x)P(x) clusters.
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Summary
It is shown that hollow cages with alternating In-P bonds are energetically preferred over other structures for both the neutral and anionic species within the range x=6-15 and that the stabilities of some empty and doped InP cages can be explained on the basis of the jellium model.
- Type
- article
- Published
- 2009-08-20
- Cited by
- 7
- References
- 50
- OpenAlex
- https://openalex.org/W19708748
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:12164021
Keywords
Art
References
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Cited by
- First-principles study on the structure, electronic, and magnetic properties of Mn-doped (ZnS)12 clusters
- Nanoscaled metal borides and phosphides: recent developments and perspectives.
- A density functional study of small neutral, anionic, and cationic indium clusters Inn, Inn−, and Inn+ (n = 2–15)
- Geometries, stabilities, and electronic properties analysis in In n Ni(0,±1) clusters: Molecular modeling and DFT calculations*
- Endohedrally Doped Cage Clusters.
- Structural evolution and electronic properties of pure and semiconductor atom doped in clusters: Inn−, InnSi−, and InnGe− (n = 3–16)
- Evaluating Electronic Properties of Self‐Assembled Indium Phosphide Nanomaterials as High‐Efficient Solar Cell
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