Browsing by Subject "Ab initio calculations"
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Amino acid functionalized zinc oxide nanostructures for cytotoxicity effect and hemolytic behavior: Theoretical and experimental studies
(Elsevier Ltd, 2017)Blending of theoretical and experimental approach, provide an important strategy in designing the nanostructure at a microscopic level and helps in predicting the response of synthesized material towards inhibition of the ... -
Size dependent tunnel diode effects in gold tipped CdSe nanodumbbells
(American Institute of Physics Inc., 2017)We report simulation results for scanning tunneling spectroscopy of gold-tipped CdSe nanodumbbells of lengths ?27 ? and ?78 ?. Present results are based on Bardeen, Tersoff, and Hamann formalism that takes inputs from ab ...