Possibility of Silicon Nanocages as Anode Electrodes in Metal-Ion Batteries: Computational Examination

Saade Abdalkareem Jasim; Yassine Riadi; Nusrat N. Akhmadaliev; Himanshu Sharma; Holya A. Lafta; Jinlian Qiao

doi:10.1007/s12633-022-01761-0

Possibility of Silicon Nanocages as Anode Electrodes in Metal-Ion Batteries: Computational Examination

Saade Abdalkareem Jasim
, Yassine Riadi
, Nusrat N. Akhmadaliev
, Himanshu Sharma
, Holya A. Lafta
, Jinlian Qiao

Pharmaceutical Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

Potential of silicon nanocages (Si_n, n = 20, 24, 28, 32, 36, 40, 44, 48, 60, 70, 80 and 90) as anodes in batteries are examined. The thermal stability, ionization potentials, electron affinities, bond gap energies of Si_n structures are investigated. Results shown when the numbers of Si atoms of nanocages are increased the IP, E_Gap and EA of Si_n are decreased. The cell voltage and capacities of 12 silicon structures are investigated. The V_cell and C_Theory of Si_n in batteries in four sides of nanocage positions are higher than inner and outer positions. The V_cell of Si_n structures in Li-ion batteries are 1.82–2.20 V and the C_Theory of Si_n structures in Li-IBs are 653.0–799.2 mAh/g. The V_cell and C_Theory of Si_n structures in this study are higher than V_cell and C_Theory of graphite compounds, carbon nano structures and boron nitride nanotubes.

Original language	English
Pages (from-to)	10225-10235
Number of pages	11
Journal	Silicon
Volume	14
Issue number	16
DOIs	https://doi.org/10.1007/s12633-022-01761-0
State	Published - Nov 2022

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

Keywords

Battery
Cell voltage
Electrode
Nano
Silicon

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10.1007/s12633-022-01761-0

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@article{644547f8c6944f81a9f1436cbd73d82a,

title = "Possibility of Silicon Nanocages as Anode Electrodes in Metal-Ion Batteries: Computational Examination",

abstract = "Potential of silicon nanocages (Sin, n = 20, 24, 28, 32, 36, 40, 44, 48, 60, 70, 80 and 90) as anodes in batteries are examined. The thermal stability, ionization potentials, electron affinities, bond gap energies of Sin structures are investigated. Results shown when the numbers of Si atoms of nanocages are increased the IP, EGap and EA of Sin are decreased. The cell voltage and capacities of 12 silicon structures are investigated. The Vcell and CTheory of Sin in batteries in four sides of nanocage positions are higher than inner and outer positions. The Vcell of Sin structures in Li-ion batteries are 1.82–2.20 V and the CTheory of Sin structures in Li-IBs are 653.0–799.2 mAh/g. The Vcell and CTheory of Sin structures in this study are higher than Vcell and CTheory of graphite compounds, carbon nano structures and boron nitride nanotubes.",

keywords = "Battery, Cell voltage, Electrode, Nano, Silicon",

author = "Jasim, \{Saade Abdalkareem\} and Yassine Riadi and Akhmadaliev, \{Nusrat N.\} and Himanshu Sharma and Lafta, \{Holya A.\} and Jinlian Qiao",

note = "Publisher Copyright: {\textcopyright} 2022, The Author(s), under exclusive licence to Springer Nature B.V.",

year = "2022",

month = nov,

doi = "10.1007/s12633-022-01761-0",

language = "English",

volume = "14",

pages = "10225--10235",

journal = "Silicon",

issn = "1876-990X",

publisher = "Springer Netherlands",

number = "16",

}

TY - JOUR

T1 - Possibility of Silicon Nanocages as Anode Electrodes in Metal-Ion Batteries

T2 - Computational Examination

AU - Jasim, Saade Abdalkareem

AU - Riadi, Yassine

AU - Akhmadaliev, Nusrat N.

AU - Sharma, Himanshu

AU - Lafta, Holya A.

AU - Qiao, Jinlian

PY - 2022/11

Y1 - 2022/11

N2 - Potential of silicon nanocages (Sin, n = 20, 24, 28, 32, 36, 40, 44, 48, 60, 70, 80 and 90) as anodes in batteries are examined. The thermal stability, ionization potentials, electron affinities, bond gap energies of Sin structures are investigated. Results shown when the numbers of Si atoms of nanocages are increased the IP, EGap and EA of Sin are decreased. The cell voltage and capacities of 12 silicon structures are investigated. The Vcell and CTheory of Sin in batteries in four sides of nanocage positions are higher than inner and outer positions. The Vcell of Sin structures in Li-ion batteries are 1.82–2.20 V and the CTheory of Sin structures in Li-IBs are 653.0–799.2 mAh/g. The Vcell and CTheory of Sin structures in this study are higher than Vcell and CTheory of graphite compounds, carbon nano structures and boron nitride nanotubes.

AB - Potential of silicon nanocages (Sin, n = 20, 24, 28, 32, 36, 40, 44, 48, 60, 70, 80 and 90) as anodes in batteries are examined. The thermal stability, ionization potentials, electron affinities, bond gap energies of Sin structures are investigated. Results shown when the numbers of Si atoms of nanocages are increased the IP, EGap and EA of Sin are decreased. The cell voltage and capacities of 12 silicon structures are investigated. The Vcell and CTheory of Sin in batteries in four sides of nanocage positions are higher than inner and outer positions. The Vcell of Sin structures in Li-ion batteries are 1.82–2.20 V and the CTheory of Sin structures in Li-IBs are 653.0–799.2 mAh/g. The Vcell and CTheory of Sin structures in this study are higher than Vcell and CTheory of graphite compounds, carbon nano structures and boron nitride nanotubes.

KW - Battery

KW - Cell voltage

KW - Electrode

KW - Nano

KW - Silicon

UR - https://www.scopus.com/pages/publications/85125268025

U2 - 10.1007/s12633-022-01761-0

DO - 10.1007/s12633-022-01761-0

M3 - Article

AN - SCOPUS:85125268025

SN - 1876-990X

VL - 14

SP - 10225

EP - 10235

JO - Silicon

JF - Silicon

IS - 16

ER -

Possibility of Silicon Nanocages as Anode Electrodes in Metal-Ion Batteries: Computational Examination

Abstract

UN SDGs

Keywords

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