Nitridation of the metallic Mo2C(001) surface from NH3 dissociative adsorption—A DFT study
Sign Up to like & getrecommendations! Published in 2019 at "Surface Science"
DOI: 10.1016/j.susc.2019.121466
Abstract: Abstract Adsorption and sequential decomposition of ammonia on the metallic Mo 2 C(001) surface have been systematically computed using periodic density functional theory under the consideration of van der Waals dispersion correction (PBE-D3). It is… read more here.
Keywords: dissociative adsorption; surface; 001 surface; adsorption ... See more keywords
Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b09405
Abstract: The dissociative adsorption of carboxylic acids on oxide surfaces is important for understanding adsorbed carboxylates, which are important as intermediates in catalytic reactions, for the organo-functionalization of oxide surfaces, and in many other aspects of… read more here.
Keywords: adsorption; chemistry; formic acid; dissociative adsorption ... See more keywords
Dissociative Adsorption of Benzoic Acid on Well-Ordered Cobalt Oxide Surfaces: Role of the Protons
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b09426
Abstract: We performed a surface science model study to reveal the role of the protons which are released upon linking of organic molecules to oxide surfaces via carboxylic acid anchor groups. Specifically, ... read more here.
Keywords: role protons; oxide surfaces; adsorption benzoic; dissociative adsorption ... See more keywords
Molecular and dissociative adsorption of CO and SO on the surface of Ir(111)
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DOI: 10.1063/1.5119159
Abstract: This study investigates the molecular and dissociative adsorption of CO and SO molecules on the perfect and a defective Ir(111) surface. It is aimed at providing a broad spectrum of adsorption site... read more here.
Keywords: adsorption; molecular dissociative; dissociative adsorption; adsorption surface ... See more keywords
Multiple Pathways for Dissociative Adsorption of SiCl4 on the Si(100)-c(4×2) Surface
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DOI: 10.3390/sym15010213
Abstract: The adsorption of silicon tetrachloride (STC, SiCl4) on the silicon surface is a crucial process in polysilicon manufacture. However, the underlying mechanism for the adsorption remains highly uncertain. Here, new dissociative adsorption (DA) reaction pathways… read more here.
Keywords: adsorption; pathways dissociative; dimer; surface ... See more keywords