Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution

• Published in: Nature communications Vol. 12; no. 1; pp. 1369 - 8
• Main Authors: Sun, Yamei, Xue, Ziqian, Liu, Qinglin, Jia, Yaling, Li, Yinle, Liu, Kang, Lin, Yiyang, Liu, Min, Li, Guangqin, Su, Cheng-Yong
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 01.03.2021; Nature Publishing Group; Nature Portfolio
• Subjects: 147/135; 147/143; 639/301/299/886; 639/638/298/921; 639/925/357; Catalysts; Clean energy; Density functional theory; Dispersion; Electrocatalysts; Electronic structure; Evolution; Humanities and Social Sciences; Hydrogen; Hydrogen evolution reactions; Hydrogen-based energy; Metal-organic frameworks; Metals; multidisciplinary; Optimization; Renewable energy; Ruthenium; Saline solutions; Science; Science (multidisciplinary); X ray absorption
• ISSN: 2041-1723; 2041-1723
• DOI: 10.1038/s41467-021-21595-5

Developing high-performance electrocatalysts toward hydrogen evolution reaction is important for clean and sustainable hydrogen energy, yet still challenging. Herein, we report a single-atom strategy to construct excellent metal-organic frameworks (MOFs) hydrogen evolution reaction electrocatalyst (NiRu 0.13 -BDC) by introducing atomically dispersed Ru. Significantly, the obtained NiRu 0.13 -BDC exhibits outstanding hydrogen evolution activity in all pH, especially with a low overpotential of 36 mV at a current density of 10 mA cm −2 in 1 M phosphate buffered saline solution, which is comparable to commercial Pt/C. X-ray absorption fine structures and the density functional theory calculations reveal that introducing Ru single-atom can modulate electronic structure of metal center in the MOF, leading to the optimization of binding strength for H 2 O and H*, and the enhancement of HER performance. This work establishes single-atom strategy as an efficient approach to modulate electronic structure of MOFs for catalyst design. Developing high-performance, neutral-media H 2 -evolution electrocatalysts is important for clean and sustainable hydrogen energy, yet rare, expensive elements are most active. Here, authors show that metal-organic frameworks modified with single ruthenium atoms as high-performances catalysts.