On May 19^th, 2017, the first author, Mr. Duong Van Long, the Research Group of Laboratory of Molecular Science at Institute for Computational Science and Technology, Ho Chi Minh City and his adviser, Professor Nguyen Minh Tho, the University of Leuven, Belgium, has just published a research named “Silicon doped boron clusters: how to make stable ribbons?” on The Journal of Physical Chemistry Chemical Physics (IF 4.49)
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A doping of small boron clusters by silicon atoms leads to formation of stable boron nanoribbon structure. We present an analysis on the geometric and electronic structure, using MOs and electron localization function (ELF) maps, of boron ribbons represented by the dianions B₁₀Si₂^2- and B₁₂Si₂^2-. Effect of Si dopants and origin of the underlying electron count […π²⁽ⁿ⁺¹⁾ σ²ⁿ] are analyzed. Interaction between both systems of delocalized π and σ electrons creating alternant B-B bonds along the perimeter of a ribbon induces its high thermodynamic stability. The enhanced stability is related to the self-locked phenomenon.
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Author: Van Long
Editor: Kim Loan