Tetrahexahedral binary transition metal compound sub-nanoclusters
We explore new transition metal (TM) compound sub-nanoclusters, TM8X6 (TM = Mn, Fe, Co and X = P, B, As), using density functional theory. Their optimized geometric structures show the same polyhedral structure (tetrahexahedron) independent of a kind of TM and metalloid (X), where eight TM atoms for...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2024-03-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0190997 |