Journal
SMALL
Volume 14, Issue 20, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/smll.201800381
Keywords
density functional theory; electronic structure; Ni doping; supercapacitors; tungsten oxide
Categories
Funding
- National Key Research and Development Program of China [2016YFA0202603]
- Natural Science Foundation of China [51672204]
- Hundred Excellent Innovative Talents Support Program in Hebei Province [SLRC2017057]
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Tuning the electron structure is of vital importance for designing high active electrode materials. Here, for boosting the capacitive performance of tungsten oxide, an atomic scale engineering approach to optimize the electronic structure of tungsten oxide by Ni doping is reported. Density functional theory calculations disclose that through Ni doping, the density of state at Fermi level for tungsten oxide can be enhanced, thus promoting its electron transfer. When used as electrode of supercapacitors, the obtained Ni-doped tungsten oxide with 4.21 at% Ni exhibits an ultrahigh mass-specific capacitance of 557 F g(-1) at the current density of 1 A g(-1) and preferable durability in a long-term cycle test. To the best of knowledge, this is the highest supercapacitor performance reported so far in tungsten oxide and its composites. The present strategy demonstrates the validity of the electronic structure control in tungsten oxide via introducing Ni atoms for pseudocapacitors, which can be extended to other related fields as well.
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