Ab initio study of radiation effects on the Li4Ti5O12 electrode used in lithium-ion batteries
Lithium-ion batteries are currently in wide use owing to their high energy density and enhanced capabilities. Li4Ti5O12 is a promising anode material for lithium-ion batteries because of its advantageous properties. Lithium-ion batteries could be exposed to radiation occurring in various conditions...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2015-04-01
|
| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4917308 |
| _version_ | 1819062501683232768 |
|---|---|
| author | Adib Samin Michael Kurth Lei Cao |
| author_facet | Adib Samin Michael Kurth Lei Cao |
| author_sort | Adib Samin |
| collection | DOAJ |
| description | Lithium-ion batteries are currently in wide use owing to their high energy density and enhanced capabilities. Li4Ti5O12 is a promising anode material for lithium-ion batteries because of its advantageous properties. Lithium-ion batteries could be exposed to radiation occurring in various conditions such as during outer space exploration and nuclear accidents. In this study, we apply density functional theory to explore the effect of radiation damage on this electrode and, ultimately, on the performance of the battery. It was found that radiation could affect the structural stability of the material. Furthermore, the electrode was shown to undergo a transition from insulator to metal, following the defects due to radiation. In addition, the effect of radiation on the intercalation potential was found to be highly dependent on the nature of the defect induced. |
| first_indexed | 2024-12-21T14:59:47Z |
| format | Article |
| id | doaj.art-07067fac4030426ea6c8a530f8d281d8 |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-21T14:59:47Z |
| publishDate | 2015-04-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-07067fac4030426ea6c8a530f8d281d82022-12-21T18:59:36ZengAIP Publishing LLCAIP Advances2158-32262015-04-0154047110047110-710.1063/1.4917308010504ADVAb initio study of radiation effects on the Li4Ti5O12 electrode used in lithium-ion batteriesAdib Samin0Michael Kurth1Lei Cao2 Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19th Avenue, Columbus, Ohio 43210 USA Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19th Avenue, Columbus, Ohio 43210 USA Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19th Avenue, Columbus, Ohio 43210 USALithium-ion batteries are currently in wide use owing to their high energy density and enhanced capabilities. Li4Ti5O12 is a promising anode material for lithium-ion batteries because of its advantageous properties. Lithium-ion batteries could be exposed to radiation occurring in various conditions such as during outer space exploration and nuclear accidents. In this study, we apply density functional theory to explore the effect of radiation damage on this electrode and, ultimately, on the performance of the battery. It was found that radiation could affect the structural stability of the material. Furthermore, the electrode was shown to undergo a transition from insulator to metal, following the defects due to radiation. In addition, the effect of radiation on the intercalation potential was found to be highly dependent on the nature of the defect induced.http://dx.doi.org/10.1063/1.4917308 |
| spellingShingle | Adib Samin Michael Kurth Lei Cao Ab initio study of radiation effects on the Li4Ti5O12 electrode used in lithium-ion batteries AIP Advances |
| title | Ab initio study of radiation effects on the Li4Ti5O12 electrode used in lithium-ion batteries |
| title_full | Ab initio study of radiation effects on the Li4Ti5O12 electrode used in lithium-ion batteries |
| title_fullStr | Ab initio study of radiation effects on the Li4Ti5O12 electrode used in lithium-ion batteries |
| title_full_unstemmed | Ab initio study of radiation effects on the Li4Ti5O12 electrode used in lithium-ion batteries |
| title_short | Ab initio study of radiation effects on the Li4Ti5O12 electrode used in lithium-ion batteries |
| title_sort | ab initio study of radiation effects on the li4ti5o12 electrode used in lithium ion batteries |
| url | http://dx.doi.org/10.1063/1.4917308 |
| work_keys_str_mv | AT adibsamin abinitiostudyofradiationeffectsontheli4ti5o12electrodeusedinlithiumionbatteries AT michaelkurth abinitiostudyofradiationeffectsontheli4ti5o12electrodeusedinlithiumionbatteries AT leicao abinitiostudyofradiationeffectsontheli4ti5o12electrodeusedinlithiumionbatteries |