Details

Autor(en) / Beteiligte

• Wu, Chuchu
• Zhang, Xiaoming
• Xia, Zhangxun
• Shu, Miao
• Li, Huanqiao
• Xu, Xinlong
• Si, Rui
• Rykov, Alexandre I
• Wang, Junhu
• Yu, Shansheng
• Wang, Suli
• Sun, Gongquan

Titel

Insight into the role of Ni-Fe dual sites in the oxygen evolution reaction based on atomically metal-doped polymeric carbon nitride

Ist Teil von

• Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (23), p.141-141

Ort / Verlag

Cambridge: Royal Society of Chemistry

Erscheinungsjahr

2019

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The oxygen evolution reaction (OER) plays a critical role in efficient conversion and storage of renewable energy sources, whereas the active sites for the most representative electrocatalysts, Ni-Fe compounds, remain under debate. In this work, we have developed polymeric carbon nitride (PCN) with atomically dispersed N-coordinated Ni-Fe sites to investigate the OER process. The Ni-Fe dual sites consist of adjacent Ni and Fe atoms coordinated with N atoms in the PCN matrix. NiFe-codoped PCN exhibits higher electrocatalytic activity than monometal-doped catalysts, showing a lower overpotential (310 mV at 10 mA cm −2 ) and smaller Tafel slope (38 mV dec −1 ) in 1 M KOH, indicating that Ni-Fe dual-metal sites significantly favor the OER process. According to density functional theory calculations based on the oxidized-NiFe@PCN model, it was found that adjacent Ni and Fe atoms co-participate in the OER process for NiFe-codoped PCN, leading to a much lower energy barrier (0.10 or 0.22 eV for U = 1.58 V), while the effect of electronic modification of the single metal active sites by the other component (Ni sites by Fe sites or vice versa ) contributes less to activity enhancement, thus leading to a rational explanation on the synergistic effect of the NiFe-based OER catalysts. Ni-Fe dual-metal sites on NiFe-codoped polymeric carbon nitride co-participate in the OER process leading to significantly enhanced electrocatalytic activity.