Exploring the core level shift origin of sulfur and thiolates on Pd(111) surfaces

Physical Chemistry Chemical Physics : PCCP
Roberto Carlos Salvarezza, Pilar Carro

Abstract

Thiol molecules on planar metal surfaces are widely used for building sensing and electronic devices and also as capping agents to protect and to control the size and shape of nanoparticles. In the case of Pd the thiol molecules exhibit a complex behavior because C-S bond scission is possible, resulting in a significant amount of co-adsorbed S. Therefore identification of these species on Pd is a key point for many applications, a task that is usually achieved by XPS. Here we show, from DFT calculations, that the core level shift (CLS) of the S 2p binding energy (BE) of thiol and sulfur on different thiol-Pd(111) surface models strongly depends on the adsorbed or subsurface state of sulfur atoms. Our results reflect the complexity of S 2p BE behavior and contribute to understanding and reanalyzing the experimental data of thiolated Pd surfaces.

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Jun 15, 1995·Physical Review. B, Condensed Matter·M Weinert, R E Watson
Nov 1, 1993·Physical Review. B, Condensed Matter·G Kresse, J Hafner
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Feb 27, 2003·Journal of the American Chemical Society·J Christopher LoveRalph G Nuzzo
Jul 9, 2004·Journal of the American Chemical Society·Bhanu P S ChauhanTariq Bandoo
Nov 1, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·Francisco J Ibañez, Francis P Zamborini
Aug 24, 2010·Langmuir : the ACS Journal of Surfaces and Colloids·Pilar CarroRoberto C Salvarezza
Sep 14, 2010·Nature Materials·Stephen T MarshallJ William Medlin
Nov 5, 2011·Small·Francisco J Ibañez, Francis P Zamborini
Oct 12, 2013·Dalton Transactions : an International Journal of Inorganic Chemistry·Bhaskar MondalChristopher North
Jul 24, 2014·The Journal of Chemical Physics·M Van den BosscheH Grönbeck

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Citations

Jan 5, 2017·Journal of Computational Chemistry·Noèlia Pueyo BellafontFrancesc Illas
Jul 17, 2018·Chemistry : a European Journal·Valeria LanzilottoCarla Puglia
Aug 23, 2019·Nanoscale·Pilar Carro, Roberto C Salvarezza

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