期刊
NANO ENERGY
卷 42, 期 -, 页码 334-340出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.nanoen.2017.11.004
关键词
N,B-codoping; Carbon nanocage; Multifunctional catalysis; Zinc-air battery
类别
资金
- National Natural Science Foundation of China [51774251, 21403185, 51590882, 51631001]
- Hebei Science Foundation for Distinguished Young Scholars [B2017203313]
- Hundreds of Innovative Talents in Hebei Province [SLRC2017057]
- National R&D Program of China [2016YFA0200102]
- NSFC-RGC Joint Research Scheme [51361165201]
- Scientific Research Foundation for the Returned Overseas Chinese Scholars [CG2014003002]
- State Key Laboratory of Advanced Technology for Materials Synthesis and Processing (Wuhan University of Technology) [2017-KF-14]
Nanocarbon materials recognized as effective and inexpensive catalysts for independent electrochemical reactions, are anticipated to possess a broader spectrum of multifunctionality toward oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER). A rational design of trifunctional nanocarbon catalyst requires balancing the heteroatoms-doping and defect-engineering to afford desired active centers and satisfied electric conductivity, which however is conceptually challenging while desires in-depth research both experimentally and theoretically. This work reports a N,B-codoped graphitic carbon nanocage (NB-CN) with graphitic yet defect-rich characteristic as a promising trifunctional electrocatalyst through a facile thermal pyrolysis assisted in-situ catalytic graphitization (TPCG) process. Density functional theory (DFT) calculations are conducted, for the first time, to demonstrate that the best performance for ORR/OER and HER can be originated from the configuration with B meta to a pyridinic-N, which presents a minimum theoretical overpotential of 0.34 V for ORR, 0.39 V for OER, and a lowest Gibbs free-energy (Delta G(ads)) of 0.013 eV for HER. A primary zinc-air battery is assembled presenting a maximum power density of 320 mW cm(-2) along with excellent operation durability, evidencing great potential in practical applications.
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