Questions tagged [nanostructures]

Questions related to nanostructures in materials modeling.

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7
votes
1answer
99 views

How to design nanorod

I know how to create the nanowire using "Materials Studio". The difference between the nannowire and the nanorod is the aspect ratio. But I am not sure where should I fix the width and ...
8
votes
1answer
90 views

Can I have a bond formed for only one spin?

I'm making a topological analysis of a nanotube interacting with some metals. The steps for the calculations were: Optimizing the geometry (I am using SIESTA code). Obtain the electronic density for ...
9
votes
1answer
272 views

What's the past and future of 2D materials since graphene?

Since the discovery of graphene in 2004, two-dimensional (2D) materials have been a hot topic in the community of condensed matter physics, which can be considered as the candidate for next-generation ...
-4
votes
1answer
109 views

Has there been research on improving the strength of graphene-based materials?

I read that brittle materials tend to have an observed strength much less than its theoretical strength because they tend to have surface cracks and whatever tension is applied gets greatly magnified ...
0
votes
1answer
306 views

Has there been any research on the stability of buckminsterfullerene?

C60 can refer to any substance composed of molecules with 60 carbon atoms. Buckminsterfullerene on the other hand is specifically the substance composed of soccer ball shape molecules with 60 carbon ...
11
votes
3answers
752 views

How to build a nanocluster?

What are the software tools (if possible open source) or methods we can use for constructing a nanocluster, most preferably with high symmetry such as icosahedron, octahedron, cuboctahedron etc. ?
6
votes
1answer
38 views

Generating glass nanocomposite structure in VESTA

I want to draw Pd(75)Au(5)Si(20) metallic glass nanocomposite. How to draw exact this metallic glass nanocomposite.
12
votes
0answers
106 views

How do I know if the reconstruction in the picture is a 2 x 2 reconstruction?

How do I know if the reconstruction in the picture is a 2 x 2 reconstruction or not?                                     I believe that this corresponds to a 2x2 reconstruction because there's an even ...
8
votes
0answers
55 views

Structural biology vs condensed matter prediction

I have two main modeling research lines: one related to structural biology (including rational drug design, de novo design, polymorphism, etc.) and the other one related to condensed matter (...
19
votes
4answers
515 views

What are the types of bond orders?

I am studying the interaction of a metal with a nanostructure. As we can not trust graphical software about the bond formation, I decided to analyze them using the software Multiwfn. It happens that ...
17
votes
1answer
84 views

How do you model quantum-confinement effects in optically active (e.g. plasmonic) mesoscopic structures?

Optically active materials, and particularly metals can be described fairly well with Classical Electrodynamics. For example, interfaces can be modeled using the Drude model, and for spherical ...