Hackler, Ryan A. Pandharkar, Riddhish Ferrandon, Magali S. Kim, In Soo Vermeulen, Nicolaas A. Gallington, Leighanne C. Chapman, Karena W. Farha, Omar K. Cramer, Christopher J. Sauer, Joachim Gagliardi, Laura Martinson, Alex B. F. Delferro, Massimiliano 2024-01-19T16:01:12Z 2024-01-19T16:01:12Z 2021-09-02 2020-12 0002-7863 https://pubs.kist.re.kr/handle/201004/117696 Various metal oxide clusters upward of 8 atoms (Cu, Cd, Co, Fe, Ga, Mn, Mo, Ni, Sn, W, Zn, In, and Al) were incorporated into the pores of the metal-organic framework (MOF) NU-1000 via atomic layer deposition (ALD) and tested via high-throughput screening for catalytic isomerization and selective hydrogenation of propyne. Cu and Co were found to be the most active for propyne hydrogenation to propylene, and synergistic bimetallic combinations of Co and Zn, along with standalone Zn and Cd, were established as the most active for conversion to the isomerized product, propadiene. The combination of Co and Zn in NU-1000 diminished the propensity for full hydrogenation to propane as well as coking compared to its individual components. This study highlights the potential for high-throughput screening to survey monometallic and bimetallic cluster combinations that best affect the efficient transformation of small molecules, while discerning mechanistic differences in isomerization and hydrogenation by different metals. English AMER CHEMICAL SOC Isomerization and Selective Hydrogenation of Propyne: Screening of Metal-Organic Frameworks Modified by Atomic Layer Deposition Article 10.1021/jacs.0c08641 1 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.142, no.48, pp.20380 - 20389 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 48 20380 20389 N scie scopus 000596904700014 2-s2.0-85096518063 Chemistry, Multidisciplinary Chemistry Article CATALYSTS FUNCTIONALIZATION THERMOCHEMISTRY PROPADIENE CHEMISTRY SURFACE COPPER