| Autor: |
Ziyi Xiao, Wei Zhou, Baopeng Yang, Chengan Liao, Qing Kang, Gen Chen, Min Liu, Xiaohe Liu, Renzhi Ma, Ning Zhang |
| Jazyk: |
angličtina |
| Rok vydání: |
2023 |
| Předmět: |
|
| Zdroj: |
Nano Materials Science, Vol 5, Iss 2, Pp 228-236 (2023) |
| Druh dokumentu: |
article |
| ISSN: |
2589-9651 |
| DOI: |
10.1016/j.nanoms.2022.07.002 |
| Popis: |
The d-band state of materials is an important descriptor for activity of oxygen evolution reaction (OER). For NiO materials, there is rarely concern about tuning their d-band states to tailor the OER behaviors. Herein, NiO nanocrystals with doping small amount of La3+ were used to regulate d-band states for promoting OER activity. Density of states calculations based on density functional theory revealed that La3+ doping produced upper shift of d-band center, which would induce stronger electronic interaction between surface Ni atoms and species of oxygen evolution reaction intermediates. Further density functional theory calculation illustrated that La3+ doped NiO possessed reduced Gibbs free energy in adsorbing species of OER intermediate. Predicted by theoretical calculations, trace La3+ was introduced into crystal lattice of NiO nanoparticles. The La3+ doped NiO nanocrystal showed much promoted OER activity than corresponding pristine NiO product. Further electrochemical analysis revealed that La3+ doping into NiO increased the intrinsic activity such as improved active sites and reduced charge transfer resistance. The in-situ Raman spectra suggested that NiO phase in La3+ doped NiO could be better maintained than pristine NiO during the OER. This work provides an effective strategy to tune the d-band center of NiO for efficient electrocatalytic OER. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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