Structural Changes in Self-Catalyzed Adsorption of Carbon Monoxide on 1,4-Phenylene Diisocyanide Modified Au(111)

Kestell, John; Boscoboinik, J. Anibal; Cheng, Lanxia; Garvey, Michael; Bennett, Dennis W.; Tysoe, Wilfred T.

doi:10.1021/acs.jpcc.5b04783

Title: Structural Changes in Self-Catalyzed Adsorption of Carbon Monoxide on 1,4-Phenylene Diisocyanide Modified Au(111)

Journal Article · Thu Jul 23 00:00:00 EDT 2015 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.5b04783· OSTI ID:1213390

Kestell, John ^[1]; Boscoboinik, J. Anibal ^[2]; Cheng, Lanxia ^[1]; Garvey, Michael ^[1]; Bennett, Dennis W. ^[1]; Tysoe, Wilfred T. ^[1]

Univ. of Wisconsin, Milwaukee, WI (United States). Dept. of Chemistry and Lab. for Surface Studies
Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials

The self-accelerated adsorption of CO on 1,4-phenylene diisocyanide (PDI)-derived oligomers on Au(111) is explored by reflection–absorption infrared spectroscopy and scanning tunneling microscopy. PDI incorporates gold adatoms from the Au(111) surface to form one-dimensional —(Au–PDI)_n— chains that can also connect between gold nanoparticles on mica to form a conductive pathway between them. CO adsorption occurs in two stages; it first adsorbs adjacent to the oligomers that move to optimize CO adsorption. Further CO exposure induces PDI decoordination to form Au–PDI adatom complexes thereby causing the conductivity of a PDI-linked gold nanoparticle array on mica to decrease to act as a chemically drive molecular switch. This simple system enables the adsorption process to be explored in detail. DFT calculations reveal that both the —(Au–PDI)_n— oligomer chain and the Au–PDI adatom complex are stabilized by coadsorbed CO. A kinetic “foot-in-the-door” model is proposed in which fluctuations in PDI coordination allow CO to diffuse into the gap between gold adatoms to prevent the PDI from reattaching, thereby allowing additional CO to adsorb, to provide kinetic model for allosteric CO adsorption on PDI-covered gold.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

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

Grant/Contract Number:: SC00112704

OSTI ID:: 1213390

Report Number(s):: BNL-108285-2015-JA; R&D Project: 16083; KC0403020

Journal Information:: Journal of Physical Chemistry. C, Vol. 119, Issue 32; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 8 works

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Title: Structural Changes in Self-Catalyzed Adsorption of Carbon Monoxide on 1,4-Phenylene Diisocyanide Modified Au(111)

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