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.