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بیست و نهمین کنفرانس شیمی آلی ایران
Assessing Boron Carbide Nanotubes Theoretically as Non-Enzymatic Glucose Sensors
نویسندگان :
Nastaran Abudnejad ( دانشگاه آزاد اسلامی واحد امیدیه ) , Mahboobeh Salehpour ( دانشگاه آزاد اسلامی واحد امیدیه ) , Zohreh Saadati ( دانشگاه آزاد اسلامی واحد امیدیه )
کلید واژه ها :
Boron Carbide،Nanotubes،Sensors،Non-Enzymatic،Glucose
چکیده مقاله :
Potential applicability of pristine and Al-doped boron carbide nanotube (BCN and Al-BCN) as glucose (GLU) sensor is investigated using density functional theory. Adsorption of GLU on top of pristine BCN leads to adsorption energy (Eads), enthalpy (ΔH), and Gibbs free energy (ΔG) of -14.82, -14.35, and -0.97 kcal.mol-1, respectively. While the corresponding values for Al-BCN are calculated to be -23.29, -24.17, and -11.03 kcal.mol-1, respectively. The detection power of Al-BCN is considerably higher than that of BCN. The required time for desorption of GLU from BCN and Al-BCN is 7.04 × 10-6 and 1.12 × 101 s, respectively.
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