-@article{xu-2014-relat,
- Abstract = "Abstract We performed a series of density functional
- theory calculations of dissociative oxygen
- adsorption on fcc metals and their corresponding
- rocksalt monoxides to elucidate the relationship
- between the oxide electronic structure and its
- corresponding reactivity. We decomposed the
- dissociative adsorption energy of oxygen on an oxide
- surface into a sum of the adsorption energy on the
- metal and a change in adsorption energy caused by
- both expanding and oxidizing the lattice. We were
- able to identify the key features of the electronic
- structure that explains the trends in adsorption
- energies on 3d transition metal monoxide surfaces. ",
- Issn = "1566-7367",
- Url = {http://dx.doi.org/10.1016/j.catcom.2013.10.028},
- Doi = {10.1016/j.catcom.2013.10.028},
- Year = 2014,
- Pages = {60-64},
- Volume = 52,
- Journal = {Catalysis Communications},
- Keywords = {DESC0004031, early-career, orgmode, },
- Title = {Relating the Electronic Structure and Reactivity of
- the 3d Transition Metal Monoxide Surfaces},
- Author = {Zhongnan Xu and John R. Kitchin},
+@article{xu-2014-relat-elect,
+ title = {Relating the Electronic Structure and Reactivity of the 3d
+ Transition Metal Monoxide Surfaces},
+ abstract = "Abstract We performed a series of density functional theory
+ calculations of dissociative oxygen adsorption on fcc metals
+ and their corresponding rocksalt monoxides to elucidate the
+ relationship between the oxide electronic structure and its
+ corresponding reactivity. We decomposed the dissociative
+ adsorption energy of oxygen on an oxide surface into a sum of
+ the adsorption energy on the metal and a change in adsorption
+ energy caused by both expanding and oxidizing the lattice. We
+ were able to identify the key features of the electronic
+ structure that explains the trends in adsorption energies on
+ 3d transition metal monoxide surfaces. ",
+ issn = "1566-7367",
+ url = {http://dx.doi.org/10.1016/j.catcom.2013.10.028},
+ doi = {10.1016/j.catcom.2013.10.028},
+ year = 2014,
+ pages = {60-64},
+ volume = 52,
+ journal = {Catalysis Communications},
+ keywords = {DESC0004031, early-career, orgmode, },
+ author = {Zhongnan Xu and John R. Kitchin},