Modeling the Electrochemical Hydrogen Oxidation and Evolution

22374

J. Phys. Chem. C 2010, 114, 22374

2010, Volume 114C Egill Sku´lason, Vladimir Tripkovic, Mårten E. Bjo¨rketun, Sigrı´dur Gudmundsdo´ttir, Gustav Karlberg, Jan Rossmeisl, Thomas Bligaard, Hannes Jo´nsson, and Jens K. Nørskov*: Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations Page 18182. Equation 4 was realigned for clarity to the reader. ∆EH* ) Ediff(θH*) ) δ(N*Eint(θH/))/δn ) N*δEint(n/N)/δn ) N(Eint(n/N) - Eint((n - 1)/N))/∆n

(4) Equation 11 was corrected to the following:

∑ (6i )θi+2(1 - θ)6-i exp(-Ea,iHER/kBT) 6

rTHER(θ) ) V

i)0

(11) Equation 12 was corrected to the following:

∑ (6i )θ (1 - θ) 6

rTHOR(θ) ) V exp(∆S/kB)

i

8-i

HOR exp(-Ea,i /kBT)

i)0

(12) Various changes were made throughout the paper to correct or modify the text. 10.1021/jp110913n Published on Web 11/29/2010