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Designing novel Sn-Bi, Si-C and Ge-C nanostructures, using simple theoretical chemical similarities.

Zdetsis AD - Nanoscale Res Lett (2011)

Bottom Line: When successful, these concepts are very powerful and transparent, leading to a large variety of nanomaterials based on Si and other group 14 elements, similar to well known and well studied analogous materials based on boron and carbon.Some of the so called predicted structures have been already synthesized, not necessarily with the same rational and motivation.Finally, it is anticipated that such powerful and transparent rules and analogies, in addition to their predictive power, could also lead to far-reaching interpretations and a deeper understanding of already known results and information.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics University of Patras, GR 26500, Patra, Greece. zdetsis@upatras.gr.

ABSTRACT
A framework of simple, transparent and powerful concepts is presented which is based on isoelectronic (or isovalent) principles, analogies, regularities and similarities. These analogies could be considered as conceptual extensions of the periodical table of the elements, assuming that two atoms or molecules having the same number of valence electrons would be expected to have similar or homologous properties. In addition, such similar moieties should be able, in principle, to replace each other in more complex structures and nanocomposites. This is only partly true and only occurs under certain conditions which are investigated and reviewed here. When successful, these concepts are very powerful and transparent, leading to a large variety of nanomaterials based on Si and other group 14 elements, similar to well known and well studied analogous materials based on boron and carbon. Such nanomaterias designed in silico include, among many others, Si-C, Sn-Bi, Si-C and Ge-C clusters, rings, nanowheels, nanorodes, nanocages and multidecker sandwiches, as well as silicon planar rings and fullerenes similar to the analogous sp2 bonding carbon structures. It is shown that this pedagogically simple and transparent framework can lead to an endless variety of novel and functional nanomaterials with important potential applications in nanotechnology, nanomedicine and nanobiology. Some of the so called predicted structures have been already synthesized, not necessarily with the same rational and motivation. Finally, it is anticipated that such powerful and transparent rules and analogies, in addition to their predictive power, could also lead to far-reaching interpretations and a deeper understanding of already known results and information.

No MeSH data available.


Related in: MedlinePlus

Comparison of the electronic structure of Si6Li6 and benzene. Comparison of the frontier orbitals of Si6Li6 and Benzene, showing the isolobal analogy between the two.
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Figure 12: Comparison of the electronic structure of Si6Li6 and benzene. Comparison of the frontier orbitals of Si6Li6 and Benzene, showing the isolobal analogy between the two.

Mentions: As explained earlier, for the planar aromatic carbon rings, the corresponding planar Si structures are obtained from the SILI rule of thumb [17-20], as illustrated in Figure 11. The resulting structure in Figure 11, is very stable (not necessarily the global minimum structure), aromatic [17-19] and fully isolobal to benzene as is shown in Figure 12. It is interesting to observe that, in this case, although isolobal, the two rings are not isostructural (they do not have the same structure and symmetry [17,18]. Furthermore, following this rule of thumb suggested by the present author [17,18], Jin and Liu [20] have recently designed larger planar rings (analogous to naphthalene or coronene). Such rings are both stable (high binding energies, real frequencies) and aromatic, which is very promising for a possible future synthesis of such planar Si structures.


Designing novel Sn-Bi, Si-C and Ge-C nanostructures, using simple theoretical chemical similarities.

Zdetsis AD - Nanoscale Res Lett (2011)

Comparison of the electronic structure of Si6Li6 and benzene. Comparison of the frontier orbitals of Si6Li6 and Benzene, showing the isolobal analogy between the two.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3211452&req=5

Figure 12: Comparison of the electronic structure of Si6Li6 and benzene. Comparison of the frontier orbitals of Si6Li6 and Benzene, showing the isolobal analogy between the two.
Mentions: As explained earlier, for the planar aromatic carbon rings, the corresponding planar Si structures are obtained from the SILI rule of thumb [17-20], as illustrated in Figure 11. The resulting structure in Figure 11, is very stable (not necessarily the global minimum structure), aromatic [17-19] and fully isolobal to benzene as is shown in Figure 12. It is interesting to observe that, in this case, although isolobal, the two rings are not isostructural (they do not have the same structure and symmetry [17,18]. Furthermore, following this rule of thumb suggested by the present author [17,18], Jin and Liu [20] have recently designed larger planar rings (analogous to naphthalene or coronene). Such rings are both stable (high binding energies, real frequencies) and aromatic, which is very promising for a possible future synthesis of such planar Si structures.

Bottom Line: When successful, these concepts are very powerful and transparent, leading to a large variety of nanomaterials based on Si and other group 14 elements, similar to well known and well studied analogous materials based on boron and carbon.Some of the so called predicted structures have been already synthesized, not necessarily with the same rational and motivation.Finally, it is anticipated that such powerful and transparent rules and analogies, in addition to their predictive power, could also lead to far-reaching interpretations and a deeper understanding of already known results and information.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics University of Patras, GR 26500, Patra, Greece. zdetsis@upatras.gr.

ABSTRACT
A framework of simple, transparent and powerful concepts is presented which is based on isoelectronic (or isovalent) principles, analogies, regularities and similarities. These analogies could be considered as conceptual extensions of the periodical table of the elements, assuming that two atoms or molecules having the same number of valence electrons would be expected to have similar or homologous properties. In addition, such similar moieties should be able, in principle, to replace each other in more complex structures and nanocomposites. This is only partly true and only occurs under certain conditions which are investigated and reviewed here. When successful, these concepts are very powerful and transparent, leading to a large variety of nanomaterials based on Si and other group 14 elements, similar to well known and well studied analogous materials based on boron and carbon. Such nanomaterias designed in silico include, among many others, Si-C, Sn-Bi, Si-C and Ge-C clusters, rings, nanowheels, nanorodes, nanocages and multidecker sandwiches, as well as silicon planar rings and fullerenes similar to the analogous sp2 bonding carbon structures. It is shown that this pedagogically simple and transparent framework can lead to an endless variety of novel and functional nanomaterials with important potential applications in nanotechnology, nanomedicine and nanobiology. Some of the so called predicted structures have been already synthesized, not necessarily with the same rational and motivation. Finally, it is anticipated that such powerful and transparent rules and analogies, in addition to their predictive power, could also lead to far-reaching interpretations and a deeper understanding of already known results and information.

No MeSH data available.


Related in: MedlinePlus