First-Principles Study of F and H Adsorption on Corrosion Resistance of Titanium Bipolar Plates.

The adsorption energy of F, H on the titanium surface with 46 doping elements was calculated in the first-principles approach. Compared with Ti in fuel cell environment, the adsorption energy would decrease with the doping of C, N, etc., while increasing with Be, Mg, etc. doping. The increase of adsorption energy will improve corrosion resistance, and testified by the previous research, so as to provide guidance for the design of corrosion-resistant Ti alloy bipolar plates. [ABSTRACT FROM AUTHOR]