Patched bimetallic surfaces are active catalysts for ammonia decomposition

Guo, Wei; Vlachos, Dionisios G.

doi:10.1038/ncomms9619

Title: Patched bimetallic surfaces are active catalysts for ammonia decomposition

Journal Article · Wed Oct 07 00:00:00 EDT 2015 · Nature Communications

DOI:https://doi.org/10.1038/ncomms9619· OSTI ID:1239294

Guo, Wei ^[1]; Vlachos, Dionisios G. ^[2]

Univ. of Delaware, Newark, DE (United States); Beijing Institute of Technology, Beijing (China); Chinese Academy of Sciences (CAS), Beijing (China)
Univ. of Delaware, Newark, DE (United States)

In this study, ammonia decomposition is often used as an archetypical reaction for predicting new catalytic materials and understanding the very reason of why some reactions are sensitive on material’s structure. Core–shell or surface-segregated bimetallic nanoparticles expose outstanding activity for many heterogeneously catalysed reactions but the reasons remain elusive owing to the difficulties in experimentally characterizing active sites. Here by performing multiscale simulations in ammonia decomposition on various nickel loadings on platinum (111), we show that the very high activity of core–shell structures requires patches of the guest metal to create and sustain dual active sites: nickel terraces catalyse N-H bond breaking and nickel edge sites drive atomic nitrogen association. The structure sensitivity on these active catalysts depends profoundly on reaction conditions due to kinetically competing relevant elementary reaction steps. We expose a remarkable difference in active sites between transient and steady-state studies and provide insights into optimal material design.

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Research Organization:: Univ. of Delaware, Newark, DE (United States); Energy Frontier Research Centers (EFRC) (United States). Catalysis Center for Energy Innovation (CCEI)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-98CH10886; SC0001004

OSTI ID:: 1239294

Journal Information:: Nature Communications, Vol. 6; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 58 works

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