The Kitchin Research Group

We have published a new paper on CO₂ capture in aqueous amino acid solvents! In this collaborative effort with the Anna Research group and NETL, we show that potassium lysinate solvents show potential for CO₂ capture applications using a microfluidic characterization device and a continuously stirred tank reactor. We also examined the aqueous potassium salts of glycine, taurine and proline. Raman spectroscopy was used to characterize the speciation of CO₂ in the solvent. Congratulations Alex!

@article{hallenbeck-2015-compar-co2,
  author =       "Alexander P. Hallenbeck and Adefemi Egbebi and Kevin P. Resnik
                  and David Hopkinson and Shelley L. Anna and John R. Kitchin",
  title =        {Comparative Microfluidic Screening of Amino Acid Salt
                  Solutions for Post-Combustion \ce{CO2} Capture},
  journal =      "International Journal of Greenhouse Gas Control ",
  volume =       43,
  pages =        "189 - 197",
  year =         2015,
  doi =          {10.1016/j.ijggc.2015.10.026},
  url =
                  "http://www.sciencedirect.com/science/article/pii/S1750583615301134",
  issn =         "1750-5836",
}

See it here: http://www.sciencedirect.com/science/article/pii/S1750583615301134

Copyright (C) 2015 by John Kitchin. See the License for information about copying.

org-mode source

Org-mode version = 8.2.10

Kenate Nemera is joining us for 9 months on a Fulbright Fellowship! Kenate is an assistant professor at Addis Ababa University in Ethiopia. Kenate will help us with our recent work in modeling metal oxide polymorphs. Welcome Kenate!

Copyright (C) 2015 by John Kitchin. See the License for information about copying.

org-mode source

Org-mode version = 8.2.10

We have a new publication in Phys. Chem. Chem. Phys. on the reactivity of different oxide polymorphs. In this work we examine the reactivity of some common BO₂ oxide polymorphs for Ru, Rh, Pt and Ir oxides. These are all normally rutile formers, but it may be possible to synthesize them in other polymorphs as epitaxial films, or under pressure. We examined how the reactivity of the polymorphs would differ from that of the most stable phase, and the impact of those changes on the oxygen evolution reaction. We predict that the reactivity may be improved in some cases. Congratulations Zhongnan!

http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C5CP04840K#!divAbstract

@article{xu-2015-tunin-oxide,
  author =       "Xu, Zhongnan and Kitchin, John R",
  title =        {Tuning Oxide Activity Through Modification of the Crystal and
                  Electronic Structure: From Strain To Potential Polymorphs},
  journal =      "Phys. Chem. Chem. Phys.",
  year =         2015,
  doi =          "10.1039/C5CP04840K",
  url =          "https://doi.org/10.1039/C5CP04840K",
  publisher =    "The Royal Society of Chemistry",
  abstract =     "Discovering new materials with tailored chemical properties is
                  vital for advancing key technologies in catalysis and energy
                  conversion. One strategy is the modification of a material{'}s
                  crystal structure{,} and new methods allow for the synthesis
                  and stabilization of potential materials in a range of crystal
                  polymorph structures. We assess the potential reactivity of
                  four metastable oxide polymorphs of MO2 (M=Ru{,} Rh{,} Pt{,}
                  Ir) transition metal oxides. In spite of the similar local
                  geometry and coordination between atoms in the metastable
                  polymorphic and stable rutile structure{,} we find that
                  polymorph reactivities cannot be explained by strain alone and
                  offer tunable reactivity and increased stability.
                  Atom-projected density of states reveals that the unique
                  reactivity of polymorphs are caused by a redistribution of
                  energy levels of the t2g-states. This structure-activity
                  relationship is induced by slight distortions to the M-O bonds
                  in polymorphic structures and is unattainable by strain. We
                  predict columbite IrO2 to be more active than rutile IrO2 for
                  oxygen evolution",
}

Copyright (C) 2015 by John Kitchin. See the License for information about copying.

org-mode source

Org-mode version = 8.2.10

Jake will use these funds to travel to the 2015 AICHE meeting in Salt Lake City. He will be presenting on his recent work in modeling alloy core-level shifts.

429027 Core Level Shifts in Cu-Pd Alloys As a Function of Bulk Composition and Structure Tuesday, November 10, 2015: 4:45 PM 255A (Salt Palace Convention Center)

https://aiche.confex.com/aiche/2015/webprogram/Paper429027.html

Copyright (C) 2015 by John Kitchin. See the License for information about copying.

org-mode source

Org-mode version = 8.2.10

Zhongnan Xu has been selected to receive a travel award from the AIChE Catalysis and Reaction Engineering Division to attend the annual meeting that will be held November 8-13 in Salt Lake City, Utah.

Zhongnan has three presenations at the AICHE meeting.

430759 Towards Accurate and Fast Discovery of Compound Materials As Catalysts: Lessons Learned from Oxides Sunday, November 8, 2015 Exhibit Hall 1 (Salt Palace Convention Center) https://aiche.confex.com/aiche/2015/webprogram/Paper430759.html

415101 Tuning Oxide Activity through Modification of the Crystal and Electronic Structure: From Strain to Potential Polymorphs Tuesday, November 10, 2015: 3:15 PM. https://aiche.confex.com/aiche/2015/webprogram/Paper415101.html

410339 Relationships Between the Surface Electronic and Chemical Properties of Doped 4d and 5d Late Transition Metal Dioxide Tuesday, November 10, 2015: 5:15 PM 355B (Salt Palace Convention Center) https://aiche.confex.com/aiche/2015/webprogram/Paper410339.html

Congratulations Zhongnan!

Copyright (C) 2015 by John Kitchin. See the License for information about copying.

org-mode source

Org-mode version = 8.2.10