Uncovering the interactions and potentials of magnesium and boron nitride nanostructures for magnesium-ion batteries

被引：0

作者：

Saadh, Mohamed J. ^{[1
]}

Altayeh, Aiham O. ^{[2
]}

Kaur, Jatinder ^{[3
,4
]}

Kumar, Anjan ^{[5
]}

Abd Hamid, Junainah ^{[6
]}

Ariffin, I. A. ^{[6
]}

Alaraj, Mohd ^{[7
]}

Muzammil, Khursheed ^{[8
]}

Islam, Saiful ^{[9
]}

机构：

[1] Middle East Univ, Fac Pharm, Amman 11831, Jordan

[2] Al Amarah Univ Coll, Dept Petr Engn, Maysan, Iraq

[3] Jain Deemed To Be Univ, Fac Engn & Technol, Dept Elect & Commun Engn, Bengaluru 560069, Karnataka, India

[4] Vivekananda Global Univ, Dept Elect Engn, Jaipur 303012, Rajasthan, India

[5] GLA Univ, Dept Elect & Commun Engn, Mathura 281406, India

[6] Management & Sci Univ, Shah Alam, Selangor, Malaysia

[7] Jerash Private Univ, Fac Pharm, Jerash, Jordan

[8] King Khalid Univ, Coll Appl Med Sci, Dept Publ Hlth, Khamis Mushait Campus, Abha, Saudi Arabia

[9] King Khalid Univ, Coll Engn, Civil Engn Dept, Abha 61421, Saudi Arabia

来源：

INORGANIC CHEMISTRY COMMUNICATIONS | 2024年 / 163卷

关键词：

Cell voltage; Mg -ion batteries; Energy adsorption; Nanostructures; Nanocone; CATHODE MATERIALS; C-20; FULLERENE; ANODE MATERIAL; DENSITY; NANOTUBES; GRAPHENE;

D O I：

10.1016/j.inoche.2024.112332

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

In present research paper, relationships between a magnesium atom and a magnesium ion (Mg2+) were examined with four different nanostructures: a boron nitride nanotube and a boron nitride nanocone. Our goal was to determine cell voltage (V) values for Mg-ion batteries (MIBs). We conducted calculations employing omega B97XD level of theory and 6-31G(d) basis set to analyze total energy, optimize the geometry, and examine the frontier molecular orbitals. The DFT calculations provided clarification regarding the energy adsorption changes (Ead) between the Mg2+ ion and nanostructures, indicating that the order of Ead is BN tube > BN cone. However, the nanocone exhibits the highest Vcell value, and alterations in Vcell for Mg-ion batteries follow order of BN cone > BN tube. Present research provides theoretical insights into the potential of magnesium as an anode material in batteries, highlighting its favorable Vcell.

引用

页数：7

共 49 条

[1] A short review on the comparison between Li battery systems and rechargeable magnesium battery technology [J].