Electronic properties of metal clusters: size effects

1981 ◽  
Vol 20 (1) ◽  
pp. 118-123 ◽  
Author(s):  
R. C. Baetzold
Keyword(s):  
Electronic Properties ◽  
Size Effects ◽  
Metal Clusters

Role of Quantum-size Effects on the Dehydrogenation of CH4 on 3d TMn Clusters: DFT Calculations Combined with Data Mining

2022 ◽  
Author(s):  
Karla Furtado Andriani ◽  
Priscilla Felício Sousa ◽  
Felipe Orlando Morais ◽  
Juarez L. F. Da Silva
Keyword(s):  
Data Mining ◽  
Transition Metal ◽  
Dft Calculations ◽  
Theoretical Investigation ◽  
Size Effects ◽  
Metal Clusters ◽  
Quantum Size Effects ◽  
Transition Metal Clusters ◽  
Quantum Size

In this work, we report a theoretical investigation of the role of quantum-size effects (QSE) on the dehydrogenation of methane (CH4) on 3d transition-metal clusters, TMn , where TM =...

Spontaneous Appearance of Nanoclusters (Cu)n and (Cu2O)n

2019 ◽  
Vol 16 (8) ◽  
pp. 3154-3161
Author(s):  
Kulpash Iskakova ◽  
Rif Akhmaltdinov ◽  
Temirgali Kuketaev ◽  
Esen Bidaibekov
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Dynamic Stability ◽  
Size Effects ◽  
Atomic Clusters ◽  
Specific Structure ◽  
Model Calculations ◽  
Performance Properties ◽  
Structural And Electronic Properties ◽  
Electron Shells

In this article, we proceed to the performance properties of the nanoclusters, referring to the already changing their properties associated with the size impact. Consideration of size effects we start to build models of nanoclusters, which reflect changes in the dynamic stability of atomic clusters, structural and electronic properties. The observed properties will be considered in comparison with model calculations and predictions. The process of formation of this cluster is accompanied by a discontinuity of symmetry, which can be distinguished on the specific structure of the cluster. Clusters of the (Cu)n metals should have the simplest electronic structure with one s-electron in each atom over the filled electron shells and (Cu2O)n semiconductors with more complicated p–n transition.

Modulating the phase transition between metallic and semiconducting single-layer MoS2 and WS2 through size effects

2015 ◽  
Vol 17 (2) ◽  
pp. 1099-1105 ◽  
Author(s):  
Ziyu Hu ◽  
Shengli Zhang ◽  
Yan-Ning Zhang ◽  
Da Wang ◽  
Haibo Zeng ◽  
...  
Keyword(s):  
Phase Transition ◽  
Electronic Properties ◽  
First Principles ◽  
Size Effects ◽  
Single Layer ◽  
First Principles Calculations ◽  
Atomic Mechanism ◽  
Junction Structure

The first-principles calculations are performed to investigate the electronic properties and atomic mechanism of the single layer MoS2 or WS2 homo-junction structure.

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