Questions tagged [nanostructures]
Questions related to nanostructures in materials modeling.
4 questions
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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 ...
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siesta: current-voltage threshold value is not consistent with the band gap value
I am simulating the current-voltage characteristic of armchair graphene nanoribbons.
Here is my device:
First, I got the band structure of armchair graphene nanoribbons electrode in its supercell.
...
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Are the results reliable if I use semiconductors as electrodes with long screening layers?
If I have enough computing resources to process very large systems so that I could use semiconductors as electrodes no matter how long the screening layer needed, will the results I get be reliable or ...
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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 ...
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