Spontaneous nanoinjection with carbon nanotubes: a molecular dynamics simulation study

Xing, Yanfei; Yang, Chuan‐Lu; Mo, Yong-Fang; Wang, Meishan; Ma, Xiao‐Guang

doi:10.1039/c3tb21468k

Cited by 9 publications

(11 citation statements)

References 30 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The mechanism is based on the competitive binding of CNT piston to the CNT capsule, which is similar to the previous report. 24 The snapshots of the ejection of dsDNA/RNA with canoe are shown in Figure 9. The thinner CNT (green) working as the piston is placed within 4 Å of CNT capsule (gray).…”

Section: Resultsmentioning

confidence: 99%

“…The piston diameter depends on the diameter of the canoe and CNT capsule. Our previous work examined carefully how to choose piston diameter . To make the piston more competitive to bind with CNT during ejection, the proper piston diameter should be less than 4 nm (CNT diameter) and bigger than 2 nm (canoe diameter), here we use 2.8 nm.…”

Section: Computational Detailsmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Dynamics Study on Encapsulation of Double Stranded Nucleic Acids into Carbon Nanotubes

Han

Yang

2018

J. Phys. Chem. C

Self Cite

View full text Add to dashboard Cite

By using molecular dynamics simulations, we investigate the spontaneous encapsulation and offloading of the double-stranded DNA and RNA with carbon nanotubes (CNTs). The bare double-stranded DNA and RNA show deficiency in the process of encapsulation into CNTs. Here, we propose an encapsulation method of nucleic acid cargo by the aid of the positively charged canoe of CNT and an offloading step driven by a thinner CNT. The spontaneous encapsulation and offloading processes are characterized by the change of nucleic acid length, opens of base pairs, the distance between the DNA/RNA and the CNT, and interaction energy and free energy between nucleic acids and CNT. The present findings can be used for nucleic acid delivery and storage.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Computational Detailsmentioning

confidence: 99%

Molecular Dynamics Study on Encapsulation of Double Stranded Nucleic Acids into Carbon Nanotubes

Han

Yang

2018

J. Phys. Chem. C

Self Cite

View full text Add to dashboard Cite

show abstract

“…Previous studies have shown that the acid leading to maximum conductivity is sulfuric acid, with achievable conductivity being in the order H 2 SO 4 > H 3 PO 4 > HClO 4 > HNO 3 > HCl. 11 However the acid of choice has been PA, as fuel cell performance is not dependent solely on the membrane's proton conductivity, 12 and sulfuric acid-doped PBI membranes still require humidification (greater than 50% relative humidity) in order to achieve high proton conductivity, 13 whereas PA-doped PBI membranes are capable of operating under anhydrous conditions. In PA-doped PBI membranes, at low doping levels, due to the high levels of protonation of the benzimidazole, proton conduction can presumably be attributed to the proton hopping between the N-H sites and the PA anions ( Fig.…”

Section: Proton Conductivity In Acid-doped Pbimentioning

confidence: 99%

Recent advances in polybenzimidazole/phosphoric acid membranes for high‐temperature fuel cells

Subianto

2014

Polymer International

119

View full text Add to dashboard Cite

show abstract

“…It is known that a higher molecular weight leads to a higher mechanical strength and a better chemical stability for polymeric membranes. [9][10][11]16 Thus, a long lifetime of the PEMFC is related to the chemical resistance to radicals HOÁ and HO 2 Á generated during the fuel cell operation (in the anode by the oxygen permeated through the membrane and in the cathode during the O 2 reduction). Molecular weights change due to the reaction conditions are shown in Table II.…”

Section: Characterization Of Pbi Polymermentioning

confidence: 99%

“…9 PBI membrane can be doped with sulfuric acid, phosphoric acid, perchloric acid, nitric acid, and hydrochloric acid. 10 Phosphoric acid forms 3D hydrogen bonding network with PBI; therefore, it is the most promising doping material. 4 It has a high boiling point, therefore increases the thermal stability and proton conductivity of the PBI membranes.…”

Section: Introductionmentioning

confidence: 99%

Phosphoric acid doped polybenzimidazole membrane for high temperature PEM fuel cell

Ergün¹,

Devrim²,

Baç³

et al. 2012

J of Applied Polymer Sci

View full text Add to dashboard Cite

In the present study, phosphoric acid doped polybenzimidazole (PBI) membranes with potential applications in high temperature PEM fuel cells were investigated. PBI was synthesized by polycondensation of 3,3 0 -diaminobenzidine and isophtalic acid in polyphosphoric acid. The formation of PBI was validated by H 1 -NMR and elemental analysis. PBI membranes were prepared by solution casting method and immersed in phosphoric acid in order to provide ionic conductivity. The phosphoric acid doped membranes were used to prepare membrane electrode assemblies (MEA) for PEMFC operation. Gas diffusion layer (GDL) spraying method was used to prepare the electrodes. In order to determine optimum electrode structure, the effect of electrode preparation technique on fuel cell performances was studied. Two methods were applied in which the binder differs in the catalyst ink. In the first method, 5 wt % PBI solution was used as the binder. In the second method, polyvinylidene fluoride (PVDF) was used in addition to PBI as the binder in the catalyst ink. The MEA were tested in a single cell operating at 100 C without need for humidification of reactant gases. The observed maximum power output was increased considerably from 0.015 to 0.072 W/cm 2 at 150 C when the binder of the catalyst was changed from PBI to PBI and PVDF mixture (PVDF : PBI ¼ 3 : 1). A single cell was operated up to 160 C and the power outputs of 0.032 and 0.063 W/cm 2 were obtained at operating temperatures of 125 and 160 C, respectively.

show abstract

Spontaneous nanoinjection with carbon nanotubes: a molecular dynamics simulation study

Cited by 9 publications

References 30 publications

Molecular Dynamics Study on Encapsulation of Double Stranded Nucleic Acids into Carbon Nanotubes

Molecular Dynamics Study on Encapsulation of Double Stranded Nucleic Acids into Carbon Nanotubes

Recent advances in polybenzimidazole/phosphoric acid membranes for high‐temperature fuel cells

Phosphoric acid doped polybenzimidazole membrane for high temperature PEM fuel cell

Contact Info

Product

Resources

About