Strong adsorption of Al-doped carbon nanotubes toward cisplatin

• Published in: Chemical physics letters Vol. 658; pp. 162 - 167
• Main Authors: Li, Wei, Li, Guo-Qing, Lu, Xiao-Min, Ma, Juan-Juan, Zeng, Peng-Yu, He, Qin-Yu, Wang, Yin-Zhen
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.08.2016
• Subjects: Adsorption; Al-doped CNTs; Cisplatin; Symmetry; Adsorption; Al-doped CNTs; Cisplatin; Symmetry
• ISSN: 0009-2614; 1873-4448
• DOI: 10.1016/j.cplett.2016.06.040

The electron density map for 2e configuration cisplatin. The molecule can be strongly adsorbed onto Al-doped (7, 7) CNTs through its Pt atom. Al-doped CNTs is a kind of potential high quality delivery carrier for anticancer drug cisplatin. [Display omitted] •The cisplatin molecule can be strongly adsorbed onto the Al-doped (7, 7) CNTs through its Pt atom.•There is a certain relationship between adsorption energy and symmetry variation of Al-doped CNTs.•Al-doped CNTs is a kind of potential high quality delivery carrier for anticancer drug cisplatin. The adsorption of cisplatin molecule on Al-doped CNTs is investigated using density functional theory. The obtained results indicate that Al-doped carbon nanotubes can strongly absorb cisplatin. After absorbing cisplatin, the symmetry of CNTs has some changes. We innovatively defined a parameter of symmetry variation which relates to the adsorption. By analyzing the electronic structure, it can be concluded that under the circumstance that cisplatin was absorbed by Al-doped CNTs through aluminum atom of Al-doped CNTs. In conclusion, Al-doped CNTs is a kind of potential delivery carrier with high quality for anticancer drug cisplatin.