Theoretical Study on Solubility from Pt Electrocatalyst and Reactivity in Electrolyte Environment of Pt Complex in PEFC

Table 4

Desorption energy (Δ𝐸_des) of Pt(II) complexes from Pt surface with various dielectric constants. Unit is kJ/mol.

	5.0	20.0	61.0
(𝟏) [Pt(H2O)4]^2+	126.0	162.0	172.8
(𝟐) [Pt(H2O)3(OH)]^+	138.5	157.4	164.5
(𝟑) [Pt(H2O)2(OH)2]	108.4	127.2	134.3
(𝟒) [Pt(H2O)(OH)3]^−	51.1	51.9	54.8
(𝟓) [Pt(OH)4]^2−	−73.7	−60.3	−55.7
(𝟔) [Pt(H2O)3(CF3SO3)]^+	154.8	190.4	186.2
(𝟕) [Pt(H2O)2(CF3SO3)2]	177.4	196.3	206.3
(𝟖) [Pt(H2O)2(OH)(CF3SO3)]	122.2	124.3	147.3