Graphyne as the anode material of magnesium-ion batteries: Ab initio study
نویسندگان
چکیده
منابع مشابه
Si doped T6 carbon structure as an anode material for Li-ion batteries: An ab initio study
First-principles calculations are performed to identify the pristine and Si doped 3D metallic T6 carbon structure (having both sp2 and sp3 type hybridization) as a new carbon based anode material. The π electron of C2 atoms (sp2 bonded) forms an out of plane network that helps to capture the Li atom. The highest Li storage capacity of Si doped T6 structure with conformation Li1.7Si1C5 produces ...
متن کاملInitial Discharge Capacity of Manganese Cobaltite as Anode Material for Lithium Ion Batteries
Nanostructured manganese cobalt oxide spinel (MnCo2O4) are prepared by co-precipitation method and calcined at 650 and 750°C. Morphological studies show that by increasing the calcination temperature from 650 to 750°C, morphology of the particles changes from quasi-plate to polyhedral. The MnCo2O4 calcined at 650°C could deliver an initial discharge capacity of 1438 mAh g-1 under current densit...
متن کاملSynthesis of Hard Carbon- Silicon Nanocomposite as Anode Active Material for Lithium-Ion Batteries
In this research, using phenolic resin as the precursor of carbon and various amounts of ethylene glycol as a pore former, porous samples of hard carbon were synthesized. Samples were characterized by x-ray diffraction (XRD) and N2 adsorption-desorption methods. Broad diffraction peaks represent the amorphous structure of samples. Moreover, the gas adsorption-desorption curves showed that the a...
متن کاملEmbedded Si/Graphene Composite Fabricated by Magnesium-Thermal Reduction as Anode Material for Lithium-Ion Batteries
Embedded Si/graphene composite was fabricated by a novel method, which was in situ generated SiO2 particles on graphene sheets followed by magnesium-thermal reduction. The tetraethyl orthosilicate (TEOS) and flake graphite was used as original materials. On the one hand, the unique structure of as-obtained composite accommodated the large volume change to some extent. Simultaneously, it enhance...
متن کاملStudy of polypyrrole graphite composite as anode material for secondary lithium-ion batteries
Pyrrole was polymerized onto commercial SFG10 graphite by in situ polymerization technique. Polymerization decreases the initial irreversible capacity loss of the graphite anode. The decrease in the irreversible capacity loss is due to the reduction in the thickness of the solid electrolyte interface (SEI) layer formed. PPy/C (7.8%) gives the optimum performance based on the irreversible capaci...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Computational Materials Science
سال: 2019
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2019.03.052