2013
DOI: 10.1149/2.073309jes
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Effect of Thiourea on Oxidation of Hypophosphite Ions on Ni Surface Investigated by Raman Spectroscopy and DFT Calculation

Abstract: Thiourea is well known and widely used additive for controlling the rate of electroless Ni deposition, and it is known to show complicated behavior in acidic/alkaline electroless deposition baths. To understand this, several experiments and theoretical calculations were performed. In the experiments, the adsorption of thiourea and the reducing agent (i.e., hypophosphite ions) on a Ni surface was characterized with a high-selectivity component at a right angle down to the sub-monolayer level using surface-enhan… Show more

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Cited by 11 publications
(5 citation statements)
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“…15 DFT calculation.-The ability of DFT to provide a molecular level understanding of several solid-liquid interfacial reaction system behaviors in aqueous solution has been shown in our previous studies. [16][17][18] All calculations were performed by DFT with Gaussian 09. 19 The exchange-correlation function was B3LYP, the basis set for H and Cl was 6-31+G * * , 20,21 and the basis set for Si was LANL 2DZ dp ECP.…”
Section: Eqcm Measurement-amentioning
confidence: 99%
See 1 more Smart Citation
“…15 DFT calculation.-The ability of DFT to provide a molecular level understanding of several solid-liquid interfacial reaction system behaviors in aqueous solution has been shown in our previous studies. [16][17][18] All calculations were performed by DFT with Gaussian 09. 19 The exchange-correlation function was B3LYP, the basis set for H and Cl was 6-31+G * * , 20,21 and the basis set for Si was LANL 2DZ dp ECP.…”
Section: Eqcm Measurement-amentioning
confidence: 99%
“…[16][17][18] All calculations were performed by DFT with Gaussian 09. 19 The exchange-correlation function was B3LYP, the basis set for H and Cl was 6-31+G * * , 20,21 and the basis set for Si was LANL 2DZ dp ECP.…”
mentioning
confidence: 99%
“…Experimental evidence indicates that the H • (ads) species can react to form H 2 via eq , which is released from the surface, or reduce Ni II to Ni I via eq , which disproportionates to deposit additional Ni 0 metal per eq : In closing this section, we note the extensive DFT molecular modeling and experimental work concerning H 2 PO 2 – oxidation spanning more than two decades to date by the Homma group. , These researchers have utilized DFT modeling, in conjunction with plasmon-enhanced Raman measurements, to better understand and observe H 2 PO 2 – intermediates present during the oxidation reaction. Their efforts have demonstrated that oxidation requires the formation of 5-coordinate, rather than 3-coordinate, intermediates.…”
Section: Elementsmentioning
confidence: 99%
“…We also attempted to develop an approach to combine in situ surface-enhanced Raman spectroscopy with theoretical calculations for analyzing the behavior of reductants and additives in detail, [25][26][27] and these approaches will provide possibilities to achieve further precise control of deposition.…”
Section: Theoretical Analysis On the Reaction Mechanism Ofmentioning
confidence: 99%