Wang Juan, Han Lili, Huang Bolong, Shao Qi, Xin Huolin L, Huang Xiaoqing
College of Chemistry, Chemical Engineering and Materials Science, Soochow University, 215123, Jiangsu, China.
Department of Physics and Astronomy, University of California, Irvine, CA, 92697, USA.
Nat Commun. 2019 Dec 12;10(1):5692. doi: 10.1038/s41467-019-13519-1.
Pursuing active and durable water splitting electrocatalysts is of vital significance for solving the sluggish kinetics of the oxygen evolution reaction (OER) process in energy supply. Herein, theoretical calculations identify that the local distortion-strain effect in amorphous RuTe system abnormally sensitizes the Te-pπ coupling capability and enhances the electron-transfer of Ru-sites, in which the excellent inter-orbital p-d transfers determine strong electronic activities for boosting OER performance. Thus, a robust electrocatalyst based on amorphous RuTe porous nanorods (PNRs) is successfully fabricated. In the acidic water splitting, a-RuTe PNRs exhibit a superior performance, which only require a cell voltage of 1.52 V to reach a current density of 10 mA cm. Detailed investigations show that the high density of defects combine with oxygen atoms to form RuOH species, which are conducive to the OER. This work offers valuable insights for constructing robust electrocatalysts based on theoretical calculations guided by rational design and amorphous materials.
寻找活性持久的析水电催化剂对于解决能量供应中析氧反应(OER)过程缓慢的动力学问题至关重要。在此,理论计算表明非晶态RuTe体系中的局部畸变应变效应异常地增强了Te-pπ耦合能力并促进了Ru位点的电子转移,其中优异的轨道间p-d转移决定了增强OER性能的强电子活性。因此,成功制备了一种基于非晶态RuTe多孔纳米棒(PNRs)的稳健电催化剂。在酸性水分解中,a-RuTe PNRs表现出优异的性能,仅需1.52 V的电池电压即可达到10 mA cm的电流密度。详细研究表明,高密度缺陷与氧原子结合形成RuOH物种,这有利于OER。这项工作为基于合理设计和非晶材料指导的理论计算构建稳健的电催化剂提供了有价值的见解。