研究论文
The activity key of s-block single-atom catalysts for superior CO 2 RR: sp 2 hybridization of metal sites
Ce Liu, Shoufu Cao, Yuteng Wei, Zengxuan Chen, Siyuan Liu, Hongyu Chen, Yitong Yin, Shuxian Wei 等 10 位
China University of Petroleum, East China Southern University of Science and Technology
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摘要与影响
摘要 · 完整
Coordination regulation transforms the inert sp-hybridized states of s-block SACs to active sp 2 hybridized states, which ensures optimal intermediate adsorption and ultra-low overpotential for selective CO 2 reduction to HCOOH.
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学术脉络
学科主题
工程CO2 Reduction Techniques and Catalysts
Electrocatalysts for Energy Conversion · Carbon dioxide utilization in catalysis
参考文献 55
Projector augmented-wave method
被引 92,686Peter E. Blöchl · Physical review. B, Condensed matter · 1994
From ultrasoft pseudopotentials to the projector augmented-wave method
被引 85,280Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999
Generalized Gradient Approximation Made Simple
被引 215,465John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996
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