Self-assembly of alkylcatechols on HOPG investigated by scanning tunneling microscopy and molecular dynamics simulations

CrystEngComm ◽  
2012 ◽  
Vol 14 (1) ◽  
pp. 264-271 ◽  
Author(s):  
Javier Saiz-Poseu ◽  
Isaac Alcón ◽  
Ramon Alibés ◽  
Félix Busqué ◽  
Jordi Faraudo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Scanning Tunneling Microscopy ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Dynamics Simulations

scholarly journals Peptide conformation and oligomerization characteristics of surface-mediated assemblies revealed by molecular dynamics simulations and scanning tunneling microscopy

RSC Advances ◽  
2019 ◽  
Vol 9 (70) ◽  
pp. 41345-41350 ◽  
Author(s):  
Yimin Zou ◽  
Bin Tu ◽  
Lanlan Yu ◽  
Yongfang Zheng ◽  
Yuchen Lin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Scanning Tunneling Microscopy ◽  
Bound States ◽  
Peptide Conformation ◽  
Md Simulations ◽  
Scanning Tunneling ◽  
Model Structure ◽  
Tunneling Microscopy ◽  
Peptide Conformations ◽  
Dynamics Simulations

The characteristics of peptide conformations in both solution and surface-bound states, using poly-glycine as a model structure, are analyzed by using molecular dynamics (MD) simulations and scanning tunneling microscopy (STM).

scholarly journals Variation of Interaction Zone Size For The Target Design of 2D Supramolecular Networks

2021 ◽  
Author(s):  
Łukasz Piotr Baran ◽  
Wojciech Rżysko ◽  
Dariusz Tarasewicz
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Zone Size ◽  
Interaction Zone ◽  
Supramolecular Networks ◽  
Dynamics Simulations ◽  
Target Design

In this study we have performed extensive coarse-grained molecular dynamics simulations of the self-assembly of tetra-substituted molecules. We have found that such molecules are able to form a variety of...

Understanding molecular self-assembly of a diol compound by considering competitive interactions

2016 ◽  
Vol 18 (39) ◽  
pp. 27390-27395 ◽  
Author(s):  
Oscar Díaz Arado ◽  
Maike Luft ◽  
Harry Mönig ◽  
Philipp Alexander Held ◽  
Armido Studer ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Self Assembly ◽  
Density Functional ◽  
Competitive Interactions ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Chemical Groups

With a combination of scanning tunneling microscopy and density functional theory, effects on molecular self-assembly involving two distinct chemical groups were investigated.

Self-assembly of l-tryptophan on Cu(111) studied by low-temperature scanning tunneling microscopy

2019 ◽  
Vol 30 (12) ◽  
pp. 2355-2358 ◽  
Author(s):  
Qiang Xue ◽  
Yajie Zhang ◽  
Ruoning Li ◽  
Chao Li ◽  
Na Li ◽  
...  
Keyword(s):  
Low Temperature ◽  
Scanning Tunneling Microscopy ◽  
Self Assembly ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Temperature Scanning
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