Growth of vertically aligned nanowires in metal–oxide nanocomposites: kinetic Monte-Carlo modeling versus experiments

Nanoscale ◽  
2018 ◽  
Vol 10 (16) ◽  
pp. 7666-7675 ◽  
Author(s):  
M. Hennes ◽  
V. Schuler ◽  
X. Weng ◽  
J. Buchwald ◽  
D. Demaille ◽  
...  
Keyword(s):  
Thin Films ◽  
Monte Carlo ◽  
Metal Oxide ◽  
Self Assembly ◽  
Kinetic Monte Carlo ◽  
The Self ◽  
Metallic Nanowires ◽  
Monte Carlo Modeling ◽  
Monte Carlo Approach ◽  
Vertically Aligned

We developed a kinetic Monte-Carlo approach to model the self-assembly of ultrathin metallic nanowires during the growth of hybrid Ni–SrTiO3 thin films.

Controlled Self-Assembly of Nanocrystalline Arrays Studied by 3D Kinetic Monte Carlo Modeling

2011 ◽  
Vol 115 (40) ◽  
pp. 19557-19568 ◽  
Author(s):  
Abuhanif K. Bhuiyan ◽  
Steven K. Dew ◽  
Maria Stepanova
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Modeling

GROWTH MECHANISM OF RING SHAPED NANOSTRUCTURES SELF-ASSEMBLY UPON DROPLET EPITAXY

2012 ◽  
Vol 19 (03) ◽  
pp. 1250029 ◽  
Author(s):  
X. TAN ◽  
J. X. ZHONG ◽  
G. W. YANG
Keyword(s):  
Monte Carlo ◽  
Self Assembly ◽  
Kinetic Monte Carlo ◽  
Morphological Evolution ◽  
Diffusion Barriers ◽  
The Self ◽  
Droplet Epitaxy ◽  
Enhanced Diffusion ◽  
Theoretical Predictions ◽  
Kinetic Monte Carlo Simulations

A quantitatively kinetic model has been established to address the self-assembly of the ring shaped nanostructures upon the droplet epitaxy via kinetic Monte Carlo simulations. The theoretical predictions about the temperature and As flux dependences of the self-assembly of the ring shaped nanostructures were in well agreement with recent experiments. It was found that the morphological evolution of the ring shaped nanostructures was attributed to the cooperation of the enhanced diffusion barriers of free Ga atoms in the inner ring region and the effects of the surface reconstruction around the Ga droplets during the arsenization step.

scholarly journals Metal Oxide-Related Dendritic Structures: Self-Assembly and Applications for Sensor, Catalysis, Energy Conversion and Beyond

Nanomaterials ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1686
Author(s):  
Ruohong Sui ◽  
Paul A. Charpentier ◽  
Robert A. Marriott
Keyword(s):  
Metal Oxide ◽  
Energy Conversion ◽  
Self Assembly ◽  
Hierarchical Structures ◽  
The Self ◽  
Assembly Process ◽  
Electronic Noses ◽  
Dendritic Nanostructures ◽  
Energy Conversion And Storage ◽  
The Aesthetic

In the past two decades, we have learned a great deal about self-assembly of dendritic metal oxide structures, partially inspired by the nanostructures mimicking the aesthetic hierarchical structures of ferns and corals. The self-assembly process involves either anisotropic polycondensation or molecular recognition mechanisms. The major driving force for research in this field is due to the wide variety of applications in addition to the unique structures and properties of these dendritic nanostructures. Our purpose of this minireview is twofold: (1) to showcase what we have learned so far about how the self-assembly process occurs; and (2) to encourage people to use this type of material for drug delivery, renewable energy conversion and storage, biomaterials, and electronic noses.

Modeling Investigation of the Local Electrochemistry in Lithium-O2Batteries: A Kinetic Monte Carlo Approach

2015 ◽  
Vol 163 (3) ◽  
pp. A329-A337 ◽  
Author(s):  
Guillaume Blanquer ◽  
Yinghui Yin ◽  
Matias A. Quiroga ◽  
Alejandro A. Franco
Keyword(s):  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Approach

Kinetic Monte Carlo Simulations of Strain-Induced Nanopatterning on Hexagonal Surfaces

2002 ◽  
Vol 731 ◽  
Author(s):  
M.I. Larsson ◽  
B. Lee ◽  
R. Sabiryanov ◽  
K. Cho ◽  
W. Nix ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Saddle Point ◽  
Self Assembly ◽  
Nearest Neighbor ◽  
Kinetic Monte Carlo ◽  
Research Field ◽  
Surface Strain ◽  
Manufacturing Cost ◽  
Component Size ◽  
Quantum Mechanical Effects

AbstractGuided self assembly of periodic arrays of quantum dots has recently emerged as an important research field not only to reduce component size and manufacturing cost but also to explore and apply quantum mechanical effects in novel nanodevices. The intention of this kinetic Monte Carlo (KMC) simulation study is to investigate self-organized nanopatterning on hexagonal surfaces for relaxed periodic surface strain fields applied to Pt(111) epitaxy. The KMC model is a full diffusion bond-counting model including nearest neighbor as well as second-nearest neighbor interactions with an event catalogue consisting of 8989 events modeling the effect of the biaxial surface strain field. The strain dependence of the fcc site and the saddle point for a Pt adatom migrating on top of the Pt(111) surface is calculated using the embedded atom method. Both the valley and the saddle point energies show an excellent linear dependence on the strain. These results are applied in the KMC model. The surface strain in this study is caused by a hexagonal network of dislocations at the interface between the substrate and a mismatched epitaxial layer. How the selforganization of deposited atoms is influenced by the surface strain will be addressed.

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