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Roles of coordination combinations in the performance and application of Pd_(1)/C_(3)N single-atom catalysts:A design for multifunctional catalysts from first-principles
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作者 Wei Tang Gang Zhou 《Nano Research》 2025年第6期1374-1386,共13页
Beyond the coordination environment of single-atom catalysts(SACs),the moiety constructed by single-atom(SA)and coordination combinations is thought to play a significant role in the reaction kinetics,especially in mu... Beyond the coordination environment of single-atom catalysts(SACs),the moiety constructed by single-atom(SA)and coordination combinations is thought to play a significant role in the reaction kinetics,especially in multi-step reactions,but the mechanism is still unclear.Here we select the single Pd atom embedded C_(3)N monolayers(Pd_(1)/C_(3)N)as a representative class of carbon-based SACs.Using density functional theory,we investigate the synthesis conditions,structural and bonding characteristics,electronic structures and catalytic performances,and multifunctional applications of Pd_(1)/C_(3)N samples.Atomic vacancies generated under high-temperature/low-pressure allow the formation of various Pd-C_(x)N_(y) moieties on the monolayer with coordination combinations control.The Pd-C_(x)N_(y) moieties with adjustable C/N coordination combinations not only exhibit tunable hydrogen evolution activity,but also have magnetic and non-magnetic properties,indicative of a clear structure-activity relationship.The Pd_(1)/C_(3)N monolayer is demonstrated to be a promising multifunctional catalyst for electrochemical hydrogen production,photocatalytic water splitting and magnetic recycling,all of which are reliant on the roles of coordination combinations.The strategy based on coordination combinations is expected to pave the way for future development of carbon-based SACs and even few-atom catalysts for multifunctional catalysis in energy and environment. 展开更多
关键词 multifunctional catalysts coordination combinations FIRST-PRINCIPLES performance and application Pd_(1)/C_(3)N single-atom catalyst
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APPLICATION OF SLAG HIGH PERFORMANCE CONCRETE (SHPC) IN A CAR PARKING BUILDING
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作者 Dai, Shaobing Li, Jizhong 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 1999年第2期56-61,共6页
Using ground granulated blast furnace slag as the active stuff of high performance concrete (HPC), the C60 SHPC was prepared. The behaviour of the C60 SHPC and its application in the Car Parking Building of Beijing C... Using ground granulated blast furnace slag as the active stuff of high performance concrete (HPC), the C60 SHPC was prepared. The behaviour of the C60 SHPC and its application in the Car Parking Building of Beijing Capital International Airport were described. Also, the manufacturing techniques of reducing cement consumption, lowering hydration heat, minimizing shrinkage cracks and improving durability of the C60 SHPC were discussed. (Author abstract) 3 Refs. 展开更多
关键词 granulated blast furnace slag performance and application of C60SHPC manufacture techniques
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