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Journal Articles

Influence of size effect on the electronic and elastic properties of diamond films with nanometer thickness

Chernozatonskii, L. A.*; Sorokin, P. B.*; Kuzubov, A. A.*; Sorokin, B. P.*; Kvashnin, A. G.*; Kvashnin, D. G.*; Avramov, P.; Yakobson, B. I.*

Journal of Physical Chemistry C, 115(1), p.132 - 136, 2011/01

 Times Cited Count:77 Percentile:88.37(Chemistry, Physical)

Journal Articles

Atomic structure and energetic stability of complex chiral silicon nanowires

Avramov, P.; Minami, Soma*; Irle, S.*; Chernozatonskii, L. A.*; Morokuma, Keiji*

Journal of Physical Chemistry C, 114(35), p.14692 - 14696, 2010/09

 Times Cited Count:1 Percentile:5.75(Chemistry, Physical)

Journal Articles

Atomic and electronic structure of new hollow-based symmetric families of silicon nanoclusters

Avramov, P.; Fedorov, D. G.*; Sorokin, P. B.*; Chernozatonskii, L. A.*; Gordon, M. S.*

Journal of Physical Chemistry C, 111(51), p.18824 - 18830, 2007/12

 Times Cited Count:12 Percentile:40(Chemistry, Physical)

We have systematically constructed a set of stable silicon nanocluster families with large arbitrary fullerenetype hollows inside. In addition, conglomerate structures are designed by connecting the nanoclusters through pentagonal and hexagonal junctions. The atomic and electronic structure of the proposed objects is investigated using the semiempirical quantum-mechanical method. It is shown that within each family the band gap and the stability are inversely proportional to the particle effective size. The clusters inherit a wide variety of structural and symmetry properties from their parent silicon fullerenes. The conglomerates confine electrons like quasi-molecules with a peculiar electronic structure related to the junctions. Quantum dots and their conglomerates can host guest atoms in their hollows and therefore present a new promising type of nanomaterials with tunable electronic properties.

Journal Articles

Multiterminal nanowire junctions of silicon; A Theoretical prediction of atomic structure and electronic properties

Avramov, P.; Chernozatonskii, L. A.*; Sorokin, P. B.*; Gordon, M. S.*

Nano Letters, 7(7), p.2063 - 2067, 2007/07

 Times Cited Count:13 Percentile:51.85(Chemistry, Multidisciplinary)

Using an empirical scheme, the atomic structure of a new exotic class of silicon nanoclusters was elaborated upon the central icosahedral core (Si-IC) and pentagonal petals (Si-PP) growing from Si-IC vertexes. It was shown that Si-IC/Si-PP interface formation is energetically preferable. Some experimental observations of silicon nanostructures can be explained by the presence of the proposed objects. The extended Huckel theory electronic structure calculations demonstrate an ability of the proposed objects to act as nanoscale tunnel junctions.

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