Journal
ACS APPLIED MATERIALS & INTERFACES
Volume 11, Issue 39, Pages 35661-35666Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsami.9b09223
Keywords
anode; NiSe2; potassium-ion battery; DFT; carrier mobility
Funding
- National Key Research and Development Program of China [2016YFE0127300, 2017YFA0205003]
- National Natural Science Foundation of China [NSFC-11974028, NSFC-21773004]
- High Performance Computing Platform of Peking University, China
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Potassium-ion batteries (KIBs) have attracted great attention due to their unique advantages including abundant resources, low redox potential of K, and feasible usage of cheap aluminum current collector in battery assembly. In the present work, through first-principles calculations, we find that the recently synthesized two-dimensional T-NiSe2 is a promising anode material of KIBs. It possesses a large capacity (247 mAh/g), small diffusion barrier (0.05 eV), and low average voltage (0.49 V), rendering T-NiSe2 a high-performance KIB anode candidate. In addition, we analyze the carrier mobility of T-NiSe2, and the results demonstrate that it possesses a superior carrier mobility of 1685 cm(2)/(V s), showing the potential for applications in nanoelectronic devices.
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