articleACS CatalysisJul 20, 2020Closed access

Tailoring the d-Band Centers Endows (Ni x Fe 1– x ) 2 P Nanosheets with Efficient Oxygen Evolution Catalysis

SSShanfu SunXZXin ZhouBCBowen CongWHWeizhao HongGCGang Chen

Harbin Institute of Technology

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Abstract

The rational design of oxygen evolution reaction (OER) catalysts from the perspective of electronic structure is highly desirable to optimize electrocatalytic activity. Monometallic phosphides such as Ni2P have been shown to be active toward OER, but their performance remains unsatisfactory. Herein, guided by the theoretical mechanism study of the intrinsic high electroactivity revealed in the d-band center (Ed) theory, the Fe-substituted Ni2P ((NixFe1–x)2P) nanosheets grown directly on NiFe foam are designed and synthesized. As OER electrocatalysts in alkaline media, the (NixFe1–x)2P nanosheets show an overpotential of 166 mV to deliver the current density of 10 mA cm–2, which is superior to the Ni2P and most…

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Topics & keywords

Topics
Keywords
  • Overpotential
  • Oxygen evolution
  • Catalysis
  • Density functional theory
  • Rational design
  • Materials science
  • Transition metal
  • Desorption
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