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Journal article
Understanding the MXene Pseudocapacitance
The journal of physical chemistry letters, v 9(6), pp 1223-1228
15 Mar 2018
PMID: 29461062
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
MXenes have attracted great attention as next-generation capacitive energy-storage materials, but the mechanisms underlying their pseudocapacitive behavior are not well understood. Here we provide a theoretical description of the surface redox process of Ti3C2T x (T = O, OH), a prototypical MXene, in 1 M H2SO4 electrolyte, based on joint density functional theory with an implicit solvation model and the analysis of Gibbs free energy under a constant-electrode potential. From the dependence of the O/OH ratio (or the surface H coverage) and the surface charge on the applied potential, we obtain a clear picture of the capacitive energy-storage mechanism of Ti3C2T x that shows good agreement with previous experimental findings in terms of the integral capacitance and Ti valence change. We find a voltage-dependent redox/double-layer co-charging behavior: the capacitive mechanism is dominated by the redox process, but the electric double-layer charge works against the redox process. This new insight may be useful in improving the capacitance of MXenes.
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Details
- Title
- Understanding the MXene Pseudocapacitance
- Creators
- Cheng Zhan - University of CaliforniaMichael Naguib - Tulane UniversityMaria Lukatskaya - Drexel UniversityPaul R. C Kent - Oak Ridge National LaboratoryYury Gogotsi - Drexel UniversityDe-en Jiang - University of California
- Publication Details
- The journal of physical chemistry letters, v 9(6), pp 1223-1228
- Publisher
- American Chemical Society; Washington, DC
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Web of Science ID
- WOS:000427910200008
- Scopus ID
- 2-s2.0-85044002562
- Other Identifier
- 991014969866704721
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Highly Cited Paper
- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology
- Physics, Atomic, Molecular & Chemical