Correlation of the role of Li-doping in control of O-vacancies and Li interstitial formations in NiO with electrochemical properties
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arXiv
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| Autores principales: | , , , , , |
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| Formato: | Preprint |
| Publicado: |
2025
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| _version_ | 1866916659080462336 |
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| author | Singh, Poonam Maneesha, P. Kumari, Manju Mekki, Abdelkrim Harrabi, Khalil Sen, Somaditya |
| author_facet | Singh, Poonam Maneesha, P. Kumari, Manju Mekki, Abdelkrim Harrabi, Khalil Sen, Somaditya |
| contents | Aliovalent doping in an oxide material introduces modifications in the valence state of the host cation and often leads to tailoring the oxygen content in the lattice. Moreover, if the dopant cation is larger than the host cation, the lattice strain and disorder may be affected. Such changes are expected to modify the electronic clouds and lead to different ligand fields, which in turn should modify the bond lengths, and therefore phonons, electronic properties, transport properties, and charge storage properties. To understand such correlations an example is being investigated in this study by doping a larger Li+ ion in a NiO lattice. The effect on structure, phonons, electronic properties, and charge storage properties are investigated and correlated in a first-of-its-kind report. The charge storage properties are observed to improve with Li+ doping until 3% substitution and thereafter decrease due to the generation of Li+ interstitial in a 6% incorporated sample. The connection of oxygen vacancies and Ni3+ formation with Li+ incorporation is the backbone of this report. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2503_17063 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Correlation of the role of Li-doping in control of O-vacancies and Li interstitial formations in NiO with electrochemical properties Singh, Poonam Maneesha, P. Kumari, Manju Mekki, Abdelkrim Harrabi, Khalil Sen, Somaditya Materials Science Aliovalent doping in an oxide material introduces modifications in the valence state of the host cation and often leads to tailoring the oxygen content in the lattice. Moreover, if the dopant cation is larger than the host cation, the lattice strain and disorder may be affected. Such changes are expected to modify the electronic clouds and lead to different ligand fields, which in turn should modify the bond lengths, and therefore phonons, electronic properties, transport properties, and charge storage properties. To understand such correlations an example is being investigated in this study by doping a larger Li+ ion in a NiO lattice. The effect on structure, phonons, electronic properties, and charge storage properties are investigated and correlated in a first-of-its-kind report. The charge storage properties are observed to improve with Li+ doping until 3% substitution and thereafter decrease due to the generation of Li+ interstitial in a 6% incorporated sample. The connection of oxygen vacancies and Ni3+ formation with Li+ incorporation is the backbone of this report. |
| title | Correlation of the role of Li-doping in control of O-vacancies and Li interstitial formations in NiO with electrochemical properties |
| topic | Materials Science |
| url | https://arxiv.org/abs/2503.17063 |