Nb-Doped MXene With Enhanced Energy Storage Capacity and Stability
MXenes present unique features as materials for energy storage; however, limited interlayer distance, and structural stability with ongoing cycling limit their applications. Here, we have developed a unique method involving incorporating Nb atoms into MXene (Ti3C2) to enhance its ability to achieve...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2020-04-01
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| Series: | Frontiers in Chemistry |
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| Online Access: | https://www.frontiersin.org/article/10.3389/fchem.2020.00168/full |
| _version_ | 1818135317145714688 |
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| author | Mahjabeen Fatima Jameela Fatheema Nasbah B. Monir Ahmad Hassan Siddique Bushra Khan Amjad Islam Deji Akinwande Syed Rizwan |
| author_facet | Mahjabeen Fatima Jameela Fatheema Nasbah B. Monir Ahmad Hassan Siddique Bushra Khan Amjad Islam Deji Akinwande Syed Rizwan |
| author_sort | Mahjabeen Fatima |
| collection | DOAJ |
| description | MXenes present unique features as materials for energy storage; however, limited interlayer distance, and structural stability with ongoing cycling limit their applications. Here, we have developed a unique method involving incorporating Nb atoms into MXene (Ti3C2) to enhance its ability to achieve higher ionic storage and longer stability. Computational analysis using density functional theory was performed that explained the material structure, electronic structure, band structure, and density of states in atomistic detail. Nb-doped MXene showed a good charge storage capacity of 442.7 F/g, which makes it applicable in a supercapacitor. X-ray diffraction (XRD) indicated c-lattice parameter enhancement after Nb-doping in MXene (from 19.2A° to 23.4A°), which showed the effect of the introduction of an element with a larger ionic radius (Nb). Also, the bandgap changes from 0.9 eV for pristine MXene to 0.1 eV for Nb-doped MXene, which indicates that the latter has the signature of increased conductivity due to more metallic nature, in support of the experimental results. This work presents not only the effect of doping in MXene but also helps to explain the phenomena involved in changes in physical parameters, advancing the field of energy storage based on 2D materials. |
| first_indexed | 2024-12-11T09:22:35Z |
| format | Article |
| id | doaj.art-637d72ffa68b4c178a7cb6c25b8ea635 |
| institution | Directory Open Access Journal |
| issn | 2296-2646 |
| language | English |
| last_indexed | 2024-12-11T09:22:35Z |
| publishDate | 2020-04-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Chemistry |
| spelling | doaj.art-637d72ffa68b4c178a7cb6c25b8ea6352022-12-22T01:13:13ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462020-04-01810.3389/fchem.2020.00168520415Nb-Doped MXene With Enhanced Energy Storage Capacity and StabilityMahjabeen Fatima0Jameela Fatheema1Nasbah B. Monir2Ahmad Hassan Siddique3Bushra Khan4Amjad Islam5Deji Akinwande6Syed Rizwan7Physics Characterization and Simulations Lab (PCSL), School of Natural Sciences (SNS), National University of Sciences & Technology (NUST), Islamabad, PakistanPhysics Characterization and Simulations Lab (PCSL), School of Natural Sciences (SNS), National University of Sciences & Technology (NUST), Islamabad, PakistanPhysics Characterization and Simulations Lab (PCSL), School of Natural Sciences (SNS), National University of Sciences & Technology (NUST), Islamabad, PakistanKey Laboratory of Graphene Technologies and Applications of Zhejiang Province, Ningbo Institute of Materials Technology and Engineering (NIMTE), Ningbo, ChinaPhysics Characterization and Simulations Lab (PCSL), School of Natural Sciences (SNS), National University of Sciences & Technology (NUST), Islamabad, PakistanCollege of Materials Engineering, Fujian Agriculture and Forestry University, Fuzhou, ChinaMicroelectronics Research Center, The University of Texas at Austin, Austin, TX, United StatesPhysics Characterization and Simulations Lab (PCSL), School of Natural Sciences (SNS), National University of Sciences & Technology (NUST), Islamabad, PakistanMXenes present unique features as materials for energy storage; however, limited interlayer distance, and structural stability with ongoing cycling limit their applications. Here, we have developed a unique method involving incorporating Nb atoms into MXene (Ti3C2) to enhance its ability to achieve higher ionic storage and longer stability. Computational analysis using density functional theory was performed that explained the material structure, electronic structure, band structure, and density of states in atomistic detail. Nb-doped MXene showed a good charge storage capacity of 442.7 F/g, which makes it applicable in a supercapacitor. X-ray diffraction (XRD) indicated c-lattice parameter enhancement after Nb-doping in MXene (from 19.2A° to 23.4A°), which showed the effect of the introduction of an element with a larger ionic radius (Nb). Also, the bandgap changes from 0.9 eV for pristine MXene to 0.1 eV for Nb-doped MXene, which indicates that the latter has the signature of increased conductivity due to more metallic nature, in support of the experimental results. This work presents not only the effect of doping in MXene but also helps to explain the phenomena involved in changes in physical parameters, advancing the field of energy storage based on 2D materials.https://www.frontiersin.org/article/10.3389/fchem.2020.00168/fullMXeneNb doped MXene2D titanium carbidesupercapacitorsdensity functional theory |
| spellingShingle | Mahjabeen Fatima Jameela Fatheema Nasbah B. Monir Ahmad Hassan Siddique Bushra Khan Amjad Islam Deji Akinwande Syed Rizwan Nb-Doped MXene With Enhanced Energy Storage Capacity and Stability Frontiers in Chemistry MXene Nb doped MXene 2D titanium carbide supercapacitors density functional theory |
| title | Nb-Doped MXene With Enhanced Energy Storage Capacity and Stability |
| title_full | Nb-Doped MXene With Enhanced Energy Storage Capacity and Stability |
| title_fullStr | Nb-Doped MXene With Enhanced Energy Storage Capacity and Stability |
| title_full_unstemmed | Nb-Doped MXene With Enhanced Energy Storage Capacity and Stability |
| title_short | Nb-Doped MXene With Enhanced Energy Storage Capacity and Stability |
| title_sort | nb doped mxene with enhanced energy storage capacity and stability |
| topic | MXene Nb doped MXene 2D titanium carbide supercapacitors density functional theory |
| url | https://www.frontiersin.org/article/10.3389/fchem.2020.00168/full |
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