Solvation of lithium ion in helium clusters: Structural properties and relative stabilities

ABSTRACTLattice energy functions have been used to predict various properties. The energies and volumes of formation of alloy phases, as well as the relative stabilities of competing phases are provided by a model based on Mie type interatomic potentials. The elastic constants of alloy phases are treated using a model sensitive to the quadrupole distortion of a repulsion spheroid. The properties of defects are treated using a model based on both a volume dependent contribution and an interatomic potential contribution to the lattice energy. Good predictability is obtained for all three types of lattice energy functions in their respective applications.

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Effect of temperature on the structural properties of spinel LiNi0.5Mn1.5O4 as cathode material for rechargeable lithium-ion batteries

10.1063/5.0051858 ◽

2021 ◽

Author(s):

Siti Nur Adlina Norazman ◽

Rozana Aina Maulat Osman ◽

Mohd Sobri Idris

Keyword(s):

Cathode Material ◽

Lithium Ion Batteries ◽

Structural Properties ◽

Lithium Ion ◽

Effect Of Temperature

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Ab Initio Study on Structural Properties of NaFeSO4OH Cathode Material for Rechargeable Sodium Ion Battery

Solid State Phenomena ◽

10.4028/www.scientific.net/ssp.317.400 ◽

2021 ◽

Vol 317 ◽

pp. 400-405

Author(s):

Aqeel Idrus ◽

Fadhlul Wafi Badrudin ◽

Mohamad Fariz Mohamad Taib ◽

Oskar Hasdinor Hassan ◽

Ab Malik Marwan Ali ◽

...

Keyword(s):

Cathode Material ◽

Ab Initio ◽

Structural Properties ◽

Low Cost ◽

Lithium Ion ◽

Sodium Ion Battery ◽

Long Cycle Life ◽

Na Ions ◽

Density Map

Layered lithium iron hydroxysulfate, LiFeSO4OH was recently proposed as a cathode material for lithium ion batteries (LIBs) made up of low cost and sustainable components. Here, we report ab-initio investigation into the structural properties of its sodium analogue, NaFeSO4OH obtained from in-situ substitution of lithium (Li) with sodium (Na). A robust host structure for NaFeSO4OH was discovered owing to strong Fe-O and S-O bonds, a good indicator for thermal stability and long cycle life. The Na ions are strongly held by the oxygen atoms, but the charge density map proves that the bond between the two is still ionic.

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Hydrothermal synthesis and structural properties of hierarchical flower-like SnO2 nanostructures for lithium ion batteries

Journal of Nanoparticle Research ◽

10.1007/s11051-014-2570-4 ◽

2014 ◽

Vol 16 (8) ◽

Cited By ~ 5

Author(s):

Xinxin Wang ◽

Chenhao Zhao ◽

Rui Liu ◽

Qiang Shen

Keyword(s):

Hydrothermal Synthesis ◽

Lithium Ion Batteries ◽

Structural Properties ◽

Lithium Ion ◽

Sno2 Nanostructures

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A new organic–inorganic hybrid electrolyte based on polyacrylonitrile, polyether diamine and alkoxysilanes for lithium ion batteries: synthesis, structural properties, and electrochemical characterization

RSC Advances ◽

10.1039/c3ra47695b ◽

2014 ◽

Vol 4 (26) ◽

pp. 13293-13303 ◽

Cited By ~ 9

Author(s):

Yu-Chi Pan ◽

Diganta Saikia ◽

Jason Fang ◽

Li-Duan Tsai ◽

George T. K. Fey ◽

...

Keyword(s):

Ionic Conductivity ◽

Lithium Ion Batteries ◽

Structural Properties ◽

Discharge Capacity ◽

Lithium Ion ◽

Electrochemical Characterization ◽

Initial Discharge Capacity ◽

Inorganic Hybrid ◽

Initial Discharge

The plasticized hybrid electrolyte exhibits a maximum ionic conductivity of 6.4 mS cm−1 at 30 °C and an initial discharge capacity of 123 mA h g−1 in battery testing.

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