Small Dopants Make Big Differences: Enhanced Electrocatalytic Performance of MoS2 Monolayer for Oxygen Reduction Reaction (ORR) by N– and P–Doping

• Published in: Electrochimica acta Vol. 225; pp. 543 - 550
• Main Authors: Zhang, Huiying, Tian, Yu, Zhao, Jingxiang, Cai, Qinghai, Chen, Zhongfang
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 20.01.2017
• Subjects: density functional theory; doping; MoS2 monolayer; oxygen reduction reaction; doping; MoS2 monolayer; oxygen reduction reaction; density functional theory

[Display omitted] The design and development of low-cost and highly efficient electrocatalysts for oxygen reduction reaction (ORR) is crucial to the large-scale commerical application of fuel cells. Herein, by means of comprehensive densty functional theory (DFT) computations, we explored the potent...