Density Functional Theory Study of Solute Cluster Growth Process in Mg-Y-Zn Lpso Alloy

2020 ◽  
Author(s):  
Mitsuhiro Itakura ◽  
Masatake Yamaguchi ◽  
Eiji Abe ◽  
Daisuke Egusa
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Growth Process ◽  
Cluster Growth ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Solute Cluster

Ni cluster nucleation and growth on the anatase TiO2(101) surface: a density functional theory study

RSC Advances ◽  
2015 ◽  
Vol 5 (21) ◽  
pp. 16582-16591 ◽  
Author(s):  
Yanxin Wang ◽  
Yan Su ◽  
Mingyuan Zhu ◽  
Lihua Kang
Keyword(s):  
Density Functional Theory ◽  
Driving Force ◽  
Cluster Size ◽  
Density Functional ◽  
Growth Process ◽  
Nucleation And Growth ◽  
Anatase Tio2 ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Initial Stage

The Ni–TiO2 interaction is the main driving force at the initial stage of Ni nucleation. The Ni–Ni interaction begins to control the growth process as the cluster size gets larger.

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