Tunable Catalytic Performance of Palladium Nanoparticles for H 2 O 2 Direct Synthesis via Surface-Bound Ligands

F. de L. e Freitas, Lucas; Puértolas, Begoña; Zhang, Jing; Wang, Bingwen; Hoffman, Adam S.; Bare, Simon R.; Pérez-Ramírez, Javier; Medlin, J. Will; Nikolla, Eranda

doi:10.1021/acscatal.0c01517

Tunable Catalytic Performance of Palladium Nanoparticles for H ₂ O ₂ Direct Synthesis via Surface-Bound Ligands

Journal Article · Mon Apr 13 00:00:00 EDT 2020 · ACS Catalysis

DOI:https://doi.org/10.1021/acscatal.0c01517· OSTI ID:1633188

F. de L. e Freitas, Lucas ^[1]; Puértolas, Begoña ^[2]; Zhang, Jing ^[3]; Wang, Bingwen ^[1]; Hoffman, Adam S. ^[4]; Bare, Simon R. ^[4]; ^[2]; ^[3]; ^[1]

Wayne State Univ., Detroit, MI (United States)
ETH Zurich (Sweden)
Univ. of Colorado, Boulder, CO (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)

There is a critical need for sustainable routes to produce hydrogen peroxide, H₂O₂. A promising approach involves direct synthesis from molecular hydrogen and oxygen at (sub)ambient temperatures using unmodified supported Pd catalysts, which are limited by low selectivities. Controlling the environment of Pd active sites via surface ligands is shown to enhance selectivity. Trends among a myriad of surface ligands (i.e., phosphines, thiols, weakly bound molecules) suggest that those containing H-bonding groups lead to the highest H₂O₂ production, potentially by affecting reaction energetics via H-bonding with key intermediates. These insights lay the groundwork for ligand design to achieve the optimal catalyst performance for H₂O₂ synthesis.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

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

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1633188

Journal Information:: ACS Catalysis, Journal Name: ACS Catalysis Journal Issue: 9 Vol. 10; ISSN 2155-5435

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Tunable Catalytic Performance of Palladium Nanoparticles for H 2 O 2 Direct Synthesis via Surface-Bound Ligands

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Tunable Catalytic Performance of Palladium Nanoparticles for H ₂ O ₂ Direct Synthesis via Surface-Bound Ligands