Kim A. Bolton

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Density-functional theory is used to assess the validity of modeling metal clusters as single atoms or rings of atoms when determining adhesion strengths between clusters and single-walled carbon nanotubes ͑SWNTs͒. Representing a cluster by a single atom or ring gives the correct trends in SWNT-cluster adhesion strengths ͑FeϷ CoϾ Ni͒, but the single-atom(More)
Fungal endophytes in cool-season grasses may affect communities at multiple trophic levels. However, it is unclear whether community-scale endophyte effects arise due to the endophyte itself or as a result of unique, endophyte–host interactions. We used a long-term field experiment to test whether common-toxic (CT) and non-ergot alkaloid-producing (novel)(More)
The effect of carbon monoxide (CO) co-adsorption on the dissociation of water on the Ni(111) surface has been studied using density functional theory. The structures of the adsorbed water molecule and of the transition state are changed by the presence of the CO molecule. The water O-H bond that is closest to the CO is lengthened compared to the structure(More)
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