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Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.3c00090
Abstract: Interfacial adsorbate organization influences a variety physicochemical properties and reactivity. Surfaces that are rough, defect laden, or have large fluctuations (as in soft matter interfaces) can lead to complex adsorbate structures. This is amplified if…
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Keywords:
sublevelset persistent;
adsorbate;
liquid;
persistent homology ... See more keywords
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Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c10985
Abstract: Although N-heterocyclic carbenes (NHCs) are superior to thiol adsorbates in that they form remarkably stable bonds with gold, the generation of NHC-based self-assembled monolayers (SAMs) typically requires a strong base and an inert atmosphere, which…
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Keywords:
functionalized heterocyclic;
adsorbate;
spectroscopy;
surface initiated ... See more keywords
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Published in 2021 at "Atmospheric Chemistry and Physics"
DOI: 10.5194/acp-2021-451
Abstract: Abstract. Adsorption and desorption represent the initial processes of the interaction of gas species with the condensed phase. It has important implications for evaluating heterogeneous (gas-to-solid) and multiphase chemical kinetics involved in catalysis, environmental interfaces,…
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Keywords:
gas;
desorption;
adsorption desorption;
adsorbate ... See more keywords