He Shunyi, Tu Yuanhua, Zhang Jiaxi, Zhang Longhai, Ke Jun, Wang Liming, Du Li, Cui Zhiming, Song Huiyu
Guangdong Provincial Key Laboratory of Fuel Cell Technology, School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou, 510641, China.
Small. 2024 Apr;20(15):e2308053. doi: 10.1002/smll.202308053. Epub 2023 Nov 27.
The urgent development of effective electrocatalysts for hydrogen evolution and hydrogen oxidation reaction (HER/HOR) is needed due to the sluggish alkaline hydrogen electrocatalysis. Here, an unusual face-centered cubic (fcc) Ru nanocrystal with favorable HER/HOR performance is offered. Guided by the lower calculated surface energy of fcc Ru than that of hcp Ru in NH, the carbon-supported fcc Ru electrocatalyst is facilely synthesized in the NH reducing atmosphere. The specific HOR kinetic current density of fcc Ru can reach 23.4 mA cm , which is around 20 and 21 times greater than that of hexagonal close-packed (hcp) Ru and Pt/C, respectively. Additionally, the HER specific activity is enhanced more than six times in fcc Ru electrocatalyst when compared to Pt/C. Experimental and theoretical analysis indicate that the phase transition from hcp Ru to fcc Ru can negatively shift the d band center, weaken the interaction between catalysts and key intermediates and therefore enhances the HER/HOR kinetics.
由于碱性氢电催化反应缓慢，迫切需要开发用于析氢反应和氢氧化反应（HER/HOR）的高效电催化剂。在此，我们提供了一种具有优异HER/HOR性能的非常规面心立方（fcc）钌纳米晶体。在计算得出fcc Ru在NH中比hcp Ru具有更低的表面能的指导下，在NH还原气氛中轻松合成了碳负载的fcc Ru电催化剂。fcc Ru的特定HOR动力学电流密度可达23.4 mA cm，分别约为六方密堆积（hcp）Ru和Pt/C的20倍和21倍。此外，与Pt/C相比，fcc Ru电催化剂中的HER比活性提高了六倍以上。实验和理论分析表明，从hcp Ru到fcc Ru的相变可使d带中心负移，减弱催化剂与关键中间体之间的相互作用，从而增强HER/HOR动力学。
