A first-principles adsorption study of functionalized carbon, boron nitride, silicon carbon nanotubes with ifosfamide as vehicles for drug delivery: Thermal analysis

A first-principles adsorption study of functionalized carbon, boron nitride, silicon carbon nanotubes with ifosfamide as vehicles for drug delivery: Thermal analysis

We investigated the adsorption of ifosfamide (IFS) on the outer surface of zigzag (10, 0) carbon nanotubes (CNT), boron nitride nanotubes (BNNT), and silicon carbon nanotubes (SiCNT), using density functional theory (DFT) calculations at the PBE-D3 level in a water solvent phase. Based on zero-point...

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Bibliographic Details
Main Authors: Mahboubeh Pishnamazi, Rami M. Alzhrani, Humood Al Shmrany, Sameer Alshehri
Format: Article
Language:English
Published: Elsevier 2024-11-01
Series:Case Studies in Thermal Engineering
Subjects:
C/BN/SiC nanotubes
Ifosfamide
DFT
Adsorption behavior
Electronic and optical characteristics
Online Access:http://www.sciencedirect.com/science/article/pii/S2214157X24012759
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