Density Functional Theory Study of Nucleation and Growth of Pt Nanoparticles on MoS2(001) Surface

2015 ◽  
Vol 15 (2) ◽  
pp. 642-652 ◽  
Author(s):  
Wissam A. Saidi
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Pt Nanoparticles ◽  
Nucleation And Growth ◽  
Density Functional Theory Study ◽  
Functional Theory

High stability and superior catalytic reactivity of nitrogen-doped graphene supporting Pt nanoparticles as a catalyst for the oxygen reduction reaction: a density functional theory study

RSC Advances ◽  
2015 ◽  
Vol 5 (43) ◽  
pp. 34070-34077 ◽  
Author(s):  
Yu Tian ◽  
Yue-jie Liu ◽  
Jing-xiang Zhao ◽  
Yi-hong Ding
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Pt Nanoparticles ◽  
Reduction Reaction ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Structural And Electronic Properties ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene ◽  
Catalytic Reactivity

We investigated the structural and electronic properties of Pt13 nanoparticles on various nitrogen (N)-doped graphene and their interaction with O by density functional theory (DFT) calculations.

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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