First Principles Study of Penta-siligraphene as High-Performance Anode Material for Li-Ion Batteries

A first-principles study was performed to elucidate the electrochemical properties of CaTi5O11, a recently discovered compound that is a crystallographic variant of TiO2(B) and that shows promise as an anode material for Li-ion batteries.

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Mono and bi-layer germanene as prospective anode material for Li-ion batteries: A first-principles study

Computational Condensed Matter ◽

10.1016/j.cocom.2018.e00314 ◽

2018 ◽

Vol 16 ◽

pp. e00314 ◽

Cited By ~ 12

Author(s):

Durgesh Kumar Sharma ◽

Sudhir Kumar ◽

A. Laref ◽

Sushil Auluck

Keyword(s):

Anode Material ◽

First Principles ◽

Li Ion Batteries ◽

First Principles Study ◽

Li Ion

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Maleic anhydride as a promising anode material for Na-Ion and Li-Ion batteries with using a proper substrate: A first principles study

Computational Materials Science ◽

10.1016/j.commatsci.2016.07.034 ◽

2016 ◽

Vol 124 ◽

pp. 166-172 ◽

Cited By ~ 7

Author(s):

Mohammad Jafar Momeni ◽

Ehsan Targholi ◽

Morteza Mousavi-Khoshdel

Keyword(s):

Maleic Anhydride ◽

Anode Material ◽

First Principles ◽

Li Ion Batteries ◽

First Principles Study ◽

Li Ion

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Oxygen-substituted borophene as a potential anode material for Li/Na-ion batteries: a first principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp06530g ◽

2021 ◽

Vol 23 (15) ◽

pp. 9270-9279

Author(s):

Yao Wu ◽

Bicheng Zhang ◽

Jianhua Hou

Keyword(s):

Anode Material ◽

First Principles ◽

Storage Capacity ◽

Specific Capacity ◽

Li Ion Batteries ◽

First Principles Study ◽

Li Ion ◽

Theoretical Specific Capacity

After the first layer of Li atoms are adsorbed fully, the system of Li atoms adsorbed by h-B3O still remained stable. And a large theoretical specific capacity (1161 mA h g−1) ensures a good storage capacity of Li-ion batteries.

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Facile Synthesis of Porous Hollow Cobalt‐Doped λ‐MnO 2 Nano Architectures as a High‐performance Anode Material for Li‐ion Batteries and Li‐ion Hybrid Supercapacitors

ChemistrySelect ◽

10.1002/slct.202102278 ◽

2021 ◽

Vol 6 (28) ◽

pp. 7012-7024

Author(s):

Ji S. Moon ◽

Arunakumari Nulu ◽

Young G. Hwang ◽

Venugopal Nulu ◽

Keun Y. Sohn

Keyword(s):

Anode Material ◽

High Performance ◽

Li Ion Batteries ◽

Facile Synthesis ◽

Hybrid Supercapacitors ◽

Li Ion

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Computational screening of phosphite derivatives as high-performance additives in high-voltage Li-ion batteries

RSC Advances ◽

10.1039/c6ra28268g ◽

2017 ◽

Vol 7 (32) ◽

pp. 20049-20056 ◽

Cited By ~ 6

Author(s):

Young-Kyu Han ◽

Jaeik Yoo ◽

Taeeun Yim

Keyword(s):

High Voltage ◽

First Principles ◽

High Performance ◽

First Principles Calculations ◽

Li Ion Batteries ◽

Computational Screening ◽

Screening Protocol ◽

Li Ion ◽

Performance Additives ◽

Additive Materials

We presented a computational screening protocol for the efficient development of cathode-electrolyte interphase (CEI)-forming additive materialsviathe first-principles calculations.

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