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Identifying a suitable cathode material for aluminum dual-ion batteries (ADIBs) with an enhanced specific capacity, cyclic durability, and open circuit voltage is among the major challenges in its commercialization. This study presents a graphdiyne (GDY) monolayer, a recently synthesized carbon allotrope, as a promising cathode material to host the diffusing AlCl4 –, which is responsible for the charging/discharging process in ADIBs. Density functional theory calculations are performed to reveal the mechanism of adsorption of AlCl4 on GDY, while thermodynamical stability and diffusion dynamics are examined through ab initio molecular dynamics simulations. The theoretical specific capacity of this room-temperature stable system is calculated to be 186 mA h/g, which is 3 times higher compared to the case in which graphite is used as the cathode. The cyclic durability of this system is established as the GDY regains its equilibrium structure after releasing AlCl4 during discharge. The activation barriera measure of ease with which the diffusion occursis calculated with the aid of the climbing image-nudged elastic band method and found to be 0.08 and 0.05 eV for monolayer and bilayer GDY, respectively. Hence, with GDY as the cathode material, we can achieve an ultralow diffusion energy barrier. Furthermore, due to charge transfer between Cl and C sites, the semiconducting GDY becomes metallic upon AlCl4 adsorption, which is an added advantage in improving the electronic conductivity.

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The main aim of the current study is to formulate the Doxorubicin loaded functionalized carbon nanotubes to deliver the drug only to the cancer cells by using pH difference. Multi walled Carbon Nanotubes (MWNTs) have been identified as an efficient drug carrier through π-π linkage, because this covalent bond is sensitive to tumor microenvironments. This bond is acid cleavable, thereby providing a strong pH-responsive drug release, which may facilitate effective release near the acidic tumor microenvironment and thus reduces its overall systemic toxicity. Doxorubicin was released at low pH and taken up by tumor cells via adenosine triphosphate (ATP)-dependent endocytosis. By varying the Concentration of MWNTs with the Doxorubicin, it forms a conjugate. It is due to supra molecular interactions between the drug and MWNTs, so it shows high loading, prolonged release and improved cytotoxicity against cancer cells. This study shows the phenomenal pH responsive drug release to the cancerous microenvironment and prolonged release. This study suggests that MWNTs have a great potential as a drug carrier; the efficient formulation strategy requires further study.