A Computational Study of a Single-Walled Carbon-Nanotube-Based Ultrafast High-Capacity Aluminum Battery

2017 ◽  
Vol 12 (15) ◽  
pp. 1944-1951 ◽  
Author(s):  
Preeti Bhauriyal ◽  
Arup Mahata ◽  
Biswarup Pathak
Keyword(s):  
Carbon Nanotube ◽  
Computational Study ◽  
High Capacity ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon

Probing hydrogen adsorption behaviors of Ti- and Ni-decorated carbon nanotube by density functional theory

2017 ◽  
Vol 16 (07) ◽  
pp. 1750065 ◽  
Author(s):  
Feng Mei ◽  
Xinguo Ma ◽  
Yeguang Bie ◽  
Guowang Xu
Keyword(s):  
Density Functional Theory ◽  
Carbon Nanotube ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
High Capacity ◽  
Adsorption Properties ◽  
Van Der Waals Interactions ◽  
Functional Theory ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon

The hydrogen adsorption properties of Ti and Ni atoms as media on single-walled carbon nanotube (SWCNT) have been studied by density functional theory (DFT) incorporating a pragmatic method to correctly describe van der Waals interactions. The results show that both Ti and Ni atoms can reliably adhere to single-walled carbon nanotube, respectively, making strong TM[Formula: see text]C bonds. Meantime, it is found that the average adsorption energies of H2 by Ti and Ni atoms are decreased with the increase of the amount of H2 adsorption. Ti or Ni atoms can bind up to no more than six H2 molecules on a carbon nanotube. It is inferred that these transition metals (TMs) can adsorb molecular hydrogen through likely Kubas-type interaction. By comparing the interaction energies among TM and H atoms, it can be identified that the hydrogen adsorption properties of Ti atoms are superior to those of Ni atoms at certain conditions. The present investigation is useful in the wider development of carbon-based nanomaterials as potential high-capacity H2 storage media.

Carbon-encapsulated NiO nanoparticle decorated single-walled carbon nanotube thin films for binderless flexible electrodes of supercapacitors

2017 ◽  
Vol 5 (47) ◽  
pp. 24813-24819 ◽  
Author(s):  
Abdul Majeed ◽  
Peng-Xiang Hou ◽  
Song Jiang ◽  
Jin-Cheng Li ◽  
Lin-Quan Ping ◽  
...  
Keyword(s):  
Thin Films ◽  
Electron Transfer ◽  
Carbon Nanotube ◽  
High Capacity ◽  
Cycling Performance ◽  
Single Walled Carbon Nanotube ◽  
Flexible Electrodes ◽  
Single Walled Carbon

A network of carbon-encapsulated NiO nanoparticle decorated SWCNTs enables easy electron transfer in the hybrid electrode and hence high capacity, good cycling performance, and excellent flexibility of supercapacitors.

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