Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions

Zhang, Yu; Nelson, Tammie; Tretiak, Sergei; Guo, Hua; Schatz, George C.

doi:10.1021/acsnano.8b03830

Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions

Journal Article · Thu Jul 12 00:00:00 EDT 2018 · ACS Nano

DOI:https://doi.org/10.1021/acsnano.8b03830· OSTI ID:1461402

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Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Univ. of New Mexico, Albuquerque, NM (United States). Dept. of Chemistry and Chemical Biology
Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry

Hot-carrier generation from surface plasmon decay has found applications in many branches of physics, chemistry, materials science, and energy science. Recent reports demonstrated that the hot carriers generated from plasmon decay in nanoparticles can transfer to attached molecules and drive photochemistry which was thought impossible previously. Here, we have computationally explored the atomic-scale mechanism of a plasmonic hot-carrier-mediated chemical process, H₂ dissociation. Numerical simulations demonstrate that, after photoexcitation, hot carriers transfer to the antibonding state of the H₂ molecule from the nanoparticle, resulting in a repulsive-potential-energy surface and H₂ dissociation. This process occurs when the molecule is close to a single nanoparticle. However, if the molecule is located at the center of the gap in a plasmonic dimer, dissociation is suppressed due to sequential charge transfer, which efficiently reduces occupation in the antibonding state and, in turn, reduces dissociation. An asymmetric displacement of the molecule in the gap breaks the symmetry and restores dissociation when the additional charge transfer is significantly suppressed. Furthermore, these models demonstrate the possibility of structurally tunable photochemistry via plasmonic hot carriers.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: US Air Force Office of Scientific Research (AFOSR); USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division

Grant/Contract Number:: AC52-06NA25396; FG02-10ER16153

OSTI ID:: 1461402

Report Number(s):: LA-UR--18-24121

Journal Information:: ACS Nano, Journal Name: ACS Nano Journal Issue: 8 Vol. 12; ISSN 1936-0851

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
H2 dissociation
Plamsonic hot-carriers
charge transfer
hot carriers
photocatalysis
photochemical reaction
plasmonic energy conversion
plasmonics

Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions

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References (58)

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