纳米材料基催化剂
催化作用
Atom(片上系统)
材料科学
化学
纳米技术
计算机科学
有机化学
并行计算
作者
Shuyan Guan,Zhenluo Yuan,Zechao Zhuang,Huan‐Huan Zhang,Hao Wen,Yanping Fan,Baojun Li,Dingsheng Wang,Baozhong Liu
标识
DOI:10.1002/anie.202316550
摘要
Single-atom alloys (SAAs), combining the advantages of single-atom and nanoparticles (NPs), play an extremely significant role in the field of heterogeneous catalysis. Nevertheless, understanding the catalytic mechanism of SAAs in catalysis reactions remains a challenge compared with single atoms and NPs. Herein, ruthenium-nickel SAAs (RuNiSAAs ) synthesized by embedding atomically dispersed Ru in Ni NPs are anchored on two-dimensional Ti3 C2 Tx MXene. The RuNiSAA-3 -Ti3 C2 Tx catalysts exhibit unprecedented activity for hydrogen evolution from ammonia borane (AB, NH3 BH3 ) hydrolysis with a mass-specific activity (rmass ) value of 333 L min-1 gRu-1 . Theoretical calculations reveal that the anchoring of SAAs on Ti3 C2 Tx optimizes the dissociation of AB and H2 O as well as the binding ability of H* intermediates during AB hydrolysis due to the d-band structural modulation caused by the alloying effect and metal-supports interactions (MSI) compared with single atoms and NPs. This work provides useful design principles for developing and optimizing efficient hydrogen-related catalysts and demonstrates the advantages of SAAs over NPs and single atoms in energy catalysis.
科研通智能强力驱动
Strongly Powered by AbleSci AI