NMR AND NQR STUDY OF GE-DOPED ON ZIGZAG MODELS OF BNNTS

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REZAEI SAMETI M.; SAFARZADEH N. ALI; REZAEI SH.

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Seminar Paper

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Seminar: IRANIAN SEMINAR OF ANALYTICAL CHEMISTRY
Year:2014 | Issue:20

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Title

NMR AND NQR STUDY OF GE-DOPED ON ZIGZAG MODELS OF BNNTS

Author(s)

REZAEI SAMETI M. | SAFARZADEH N. ALI | REZAEI SH. | Issue Writer Certificate

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Abstract

OVER THE LAST DECADE, A SIGNIFICANT EFFORT HAS BEEN MADE TO FORM BN NANOTUBES (BNNTS) BECAUSE OF THEIR HIGH POTENTIAL IN FUTURE ELECTRONIC AND MECHANICAL DEVICES. IN FACT, BNNT S HAVE BEEN PREDICTED TO BE WIDE BAND-GAP SEMICONDUCTORS INDEPENDENT OF RADIUS, CHIRALITY AND THE NUMBER OF TUBULAR SHELLS. BORON NITRIDE (BN) NANOTUBES WERE SUCCESSFULLY SYNTHESIZED[1] SHORTLY AFTER PREDICTION IN THEORY[2], WHICH ARE KNOWN TO BE WIDE GAP SEMICONDUCTORS WITH BAND GAPS ABOUT 5.5 EV, AND IN THEIR NATIVE STATE ARE ESSENTIALLY ELECTRICAL INSULATING. LIKE CARBON NANOTUBES, BN NANOTUBES ALSO POSSESS HIGH SURFACE AREA, UNIQUE PHYSICAL PROPERTIES, AND MORPHOLOGY. IN THIS WORK NMR AND NQR PARAMETERS OF GE-DOPED ON THE (6, 0) AND (10, 0) ZIGZAG MODELS OF BNNTS ARE CALCULATED FROM OPTIMIZED STRUCTURES BY USING DFT THEORY.THE RESULTS SHOW THAT WITH DOPING GE THE CSI PARAMETERS OF B42 AND B44 OF TWO-NANOTUBE INCREASE AND AT N33, N34 AND N53 SITES DECREASE SIGNIFICANTLY FROM ORIGINAL VALUES DUE TO DONOR ELECTRON EFFECT OF GE. THE CQ PARAMETERS AT LAYERS ONE AND TWO INCREASE AND OTHER LAYERS DECREASE.

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APA: Copy

REZAEI SAMETI, M., SAFARZADEH, N. ALI, & REZAEI, SH.. (2014). NMR AND NQR STUDY OF GE-DOPED ON ZIGZAG MODELS OF BNNTS. IRANIAN SEMINAR OF ANALYTICAL CHEMISTRY. SID. https://sid.ir/paper/911158/en

Vancouver: Copy

REZAEI SAMETI M., SAFARZADEH N. ALI, REZAEI SH.. NMR AND NQR STUDY OF GE-DOPED ON ZIGZAG MODELS OF BNNTS. 2014. Available from: https://sid.ir/paper/911158/en

IEEE: Copy

M. REZAEI SAMETI, N. ALI SAFARZADEH, and SH. REZAEI, “NMR AND NQR STUDY OF GE-DOPED ON ZIGZAG MODELS OF BNNTS,” presented at the IRANIAN SEMINAR OF ANALYTICAL CHEMISTRY. 2014, [Online]. Available: https://sid.ir/paper/911158/en

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