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Title

THE ELECTRONIC STRUCTUR E INVESTIGATION OF STAR- SHAPE D BORON NITRIDE SHEETS

Pages

 Start Page | End Page

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Abstract

 INTRODUCTION: IN THIS PAPER THE NEW BORON NITRIDE SHEET (BN SHEET) IS STUDIED, WHICH IS CONSTRUCTED AS A RESULT OF REMOVING SOME BORON AND NITROGEN ATOMS FROM THE STANDARD BN SHEETS. THE NEW BN NANOSTRUCTURE IS CONSIST OF EIGHT BORON NITRIDE STAR-SHAPED HEXAGONALS, CONNECTED WITH B-N LINES. IN THIS INVESTIGATION, THE MOST STABLE STRUCTURE, THE ELECTRONIC ENERGY AND THE ELECTRON DENSITY DISTRIBUTION FOR NEW BN SHEET ARE CALCULATED BY AVAILABLE COMPUTATIONAL CHEMISTRY TOOLS, AND ARE COMPARED WITH STANDARD BN SHEET. THE ATOMS IN MOLECULES THEORY, INTRODUCED BY BADER [1] IS APPLIED FOR WAVE FUNCTION ANALYSES.

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