@article {64,
	title = {Electro-oxidation of water on hematite: Effects of surface termination and oxygen vacancies investigated by first-principles.},
	journal = {Surface Science},
	volume = {640},
	year = {2015},
	note = {CAPLUS AN 2015:594301(Journal; Online Computer File)},
	pages = {45 - 49},
	publisher = {Elsevier B.V.},
	abstract = {The oxygen evolution reaction on hydroxyl- and oxygen-terminated hematite was investigated using first-principle calcns. within a theor. electrochem. framework.  Both pristine hematite and hematite contg. oxygen vacancies were considered.  The onset potential was detd. to be 1.79 V and 2.09 V vs. the reversible hydrogen electrode (RHE) for the pristine hydroxyl- and oxygen-terminated hematite, resp.  The presence of oxygen vacancies in the hematite surface resulted in pronounced shifts of the onset potential to 3.09 V and 1.83 V, resp.  Electrochem. oxidn. measurements conducted on thin-film hematite anodes, resulted in a measured onset potential of 1.66 V vs.  RHE.  Furthermore, the threshold potential between the hydroxyl- and oxygen-terminated hematite was detd. as a function of pH.  The results indicate that electrochem. water oxidn. on hematite occurs on the oxygen-terminated hematite, contg. oxygen vacancies. [on SciFinder(R)]},
	keywords = {OER hydroxyl oxygen terminated hematite Electrooxidn water DFT},
	isbn = {0039-6028},
	author = {Hellman, Anders and Iandolo, Beniamino and Wickman, Bjoern and Groenbeck, Henrik and Baltrusaitis, Jonas.}
}
