The Kitchin Research Group

"Probing the Coverage Dependence of Site and Adsorbate Configurational Correlations on (111) Surfaces of Late Transition Metals"

Zhongnan Xu and John R. Kitchin J. Phys. Chem. C, Just Accepted Manuscript DOI: 10.1021/jp508805h Publication Date (Web): October 14, 2014 Copyright © 2014 American Chemical Society

@article{xu-2014-probin-cover,
  author =       {Zhongnan Xu and John R. Kitchin},
  title =        {Probing the Coverage Dependence of Site and
                  Adsorbate Configurational Correlations on (111)
                  Surfaces of Late Transition Metals},
  journal =      {J. Phys. Chem. C},
  volume =       {118},
  number =       {44},
  pages =        {25597–25602},
  year =         2014,
  doi =          {10.1021/jp508805h},
  url =          {https://doi.org/10.1021/jp508805h},
}

https://doi.org/10.1021/jp508805h

Congratulations Zhongnan!

Copyright (C) 2014 by John Kitchin. See the License for information about copying.

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http://www.cmu.edu/proseed/awards-recipients/

This grant will support "Reproducible Research: Computing in Science and Engineering" - Developing a new undergraduate course that integrates professional tools so engineering students can learn and practice modern methods of reproducible research. (John Kitchin)

This will be a project that integrates emacs, org-mode and computing into the creation of literate technical documents.

Copyright (C) 2014 by John Kitchin. See the License for information about copying.

org-mode source

Org-mode version = 8.2.6

Electrocatalytic Oxygen Evolution with an Immobilized TAML Activator

Ethan L. Demeter, Shayna L. Hilburg, Newell R. Washburn, Terrence J. Collins, and John R. Kitchin

Iron complexes of tetra-amido macrocyclic ligands are important members of the suite of oxidation catalysts known as TAML activators. TAML activators are known to be fast homogeneous water oxidation (WO) catalysts, producing oxygen in the presence of chemical oxidants, e.g., ceric ammonium nitrate. These homogeneous systems exhibited low turnover numbers (TONs). Here we demonstrate immobilization on glassy carbon and carbon paper in an ink composed of the prototype TAML activator, carbon black, and Nafion and the subsequent use of this composition in heterogeneous electrocatalytic WO. The immobilized TAML system is shown to readily produce O2 with much higher TONs than the homogeneous predecessors.

http://pubs.acs.org/doi/full/10.1021/ja5015986

Congratulations Ethan!

Copyright (C) 2014 by John Kitchin. See the License for information about copying.

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Org-mode version = 8.2.5h

This fellowship was established with the generous donation of Dr. H. William and Ruth Prengle to provide tuition for graduate students with outstanding academic records.

Congratulations Mehak!

Copyright (C) 2014 by John Kitchin. See the License for information about copying.

org-mode source

Org-mode version = 8.2.5h

The Dowd Fellowship is awarded to a faculty member in engineering to recognize educational contributions and to encourage the undertaking of an educational project such as textbook writing, educational technology development, laboratory experience improvement, educational software, or course and curriculum development.

Professor Kitchin was recognized for his work in creating the dft-book , pycse , and their integration into courses. These resources notably integrate technical narrative text, equation, images along with code and the output. He is continuing to develop these resources and similar materials for a new Master's course in chemical reaction engineering.

Copyright (C) 2014 by John Kitchin. See the License for information about copying.

org-mode source

Org-mode version = 8.2.5h