Theoretical evaluation of boron carbide nanotubes as non-enzymatic glucose sensors

被引：0
|
作者：
Abudnejad, Nastern [1 ]
Salehpour, Mahboobeh [1 ]
Saadati, Zohreh [1 ]
机构：
[1] Islamic Azad Univ, Dept Chem, Omidiyeh Branch, Omidiyeh, Iran
来源：
CHEMICAL PHYSICS LETTERS | 2023年 / 823卷
关键词：
Density functional theory (DFT); Glucose sensor; Boron carbide nanotube; Doping technique; Biosensors; ADSORPTION BEHAVIOR; BC3; FUNCTIONALS; B3LYP; DFT;
D O I：
10.1016/j.cplett.2023.140510
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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 (Delta H), and Gibbs free energy (Delta G) 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 x 10-6 and 1.12 x 101 s, respectively.
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页数：9
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