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@book{Dominik201408,
keywords = {org-mode},
url = {http://amazon.com/o/ASIN/9881327709/},
isbn = 9789881327703,
year = 2014,
publisher = {Samurai Media Limited},
author = {Carsten Dominik},
title = {The Org Mode 8 Reference Manual - Organize your life with GNU
Emacs},
}
@article{xu-2015-relat-between,
title = {Relationships Between the Surface Electronic and Chemical
Properties of Doped 4d and 5d Late Transition Metal Dioxides},
eid = 104703,
url =
"http://scitation.aip.org/content/aip/journal/jcp/142/10/10.1063/1.4914093",
doi = {10.1063/1.4914093},
year = 2015,
pages = 104703,
number = 10,
volume = 142,
journal = "The Journal of Chemical Physics",
keywords = {DESC0004031, early-career, orgmode},
author = "Xu, Zhongnan and Kitchin, John R.",
}
@article{xu-2015-linear-respon,
title = {A Linear Response {DFT}+{U} Study of Trends in the Oxygen
Evolution Activity of Transition Metal Rutile Dioxides},
eprint = { http://dx.doi.org/10.1021/jp511426q },
url = { http://dx.doi.org/10.1021/jp511426q },
doi = {10.1021/jp511426q},
year = 2015,
pages = {4827-4833},
number = 9,
volume = 119,
journal = {The Journal of Physical Chemistry C},
keywords = {DESC0004031, early-career, orgmode, },
author = {Xu, Zhongnan and Rossmeisl, Jan and Kitchin, John R.},
}
@article{boes-2015-suppor-infor,
title = {Supporting Information: Estimating Bulk-Composition-Dependent
\ce{H2} Adsorption Energies on \ce{Cu_{x}Pd_{1-x}} Alloy (111)
Surfaces},
url =
{http://pubs.acs.org/doi/suppl/10.1021/cs501585k/suppl_file/cs501585k_si_001.pdf},
doi = {10.1021/cs501585k},
year = 2015,
pages = {1020-1026},
volume = 5,
journal = {ACS Catalysis},
keywords = {orgmode},
author = {Jacob R. Boes and Gamze Gumuslu and James B. Miller and Andrew
J. Gellman and John R. Kitchin},
}
@article{boes-2015-estim-bulk,
title = {Estimating Bulk-Composition-Dependent \ce{H2} Adsorption
Energies on \ce{Cu_{x}Pd_{1-x}} Alloy (111) Surfaces},
url = {http://dx.doi.org/10.1021/cs501585k},
doi = {10.1021/cs501585k},
year = 2015,
pages = {1020-1026},
volume = 5,
keywords = {orgmode},
journal = {ACS Catalysis},
author = {Jacob R. Boes and Gamze Gumuslu and James B. Miller and Andrew
J. Gellman and John R. Kitchin},
}
@article{curnan-2014-effec-concen,
title = {Effects of Concentration, Crystal Structure, Magnetism, and
Electronic Structure Method on First-Principles Oxygen Vacancy
Formation Energy Trends in Perovskites},
eprint = { http://dx.doi.org/10.1021/jp507957n },
url = {http://dx.doi.org/10.1021/jp507957n},
doi = {10.1021/jp507957n},
year = 2014,
pages = {28776-28790},
number = 49,
volume = 118,
journal = {The Journal of Physical Chemistry C},
keywords = {orgmode, },
author = {Curnan, Matthew T. and Kitchin, John R.},
}
@article{miller-2014-simul-temper,
title = {Simulating Temperature Programmed Desorption of Oxygen on
{P}t(111) Using {DFT} Derived Coverage Dependent Desorption
Barriers},
url = {http://dx.doi.org/10.1007/s11244-013-0166-3},
doi = {10.1007/s11244-013-0166-3},
year = 2014,
pages = {106-117},
number = {1-4},
volume = 57,
journal = {Topics in Catalysis},
keywords = {DESC0004031, early-career, orgmode, },
author = {Spencer D. Miller and Vladimir V. Pushkarev and Andrew
J. Gellman and John R. Kitchin},
}
@article{xu-2014-probin-cover,
title = {Probing the Coverage Dependence of Site and Adsorbate
Configurational Correlations on (111) Surfaces of Late
Transition Metals},
url = {http://dx.doi.org/10.1021/jp508805h},
doi = {10.1021/jp508805h},
year = 2014,
pages = {25597-25602},
number = 44,
volume = 118,
journal = {J. Phys. Chem. C},
keywords = {DESC0004031, early-career, orgmode, },
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},
}
@article{mehta-2014-ident-poten,
title = {Identifying Potential \ce{BO2} Oxide Polymorphs for Epitaxial
Growth Candidates},
eprint = {http://pubs.acs.org/doi/pdf/10.1021/am4059149},
url = {http://dx.doi.org/10.1021/am4059149},
doi = {10.1021/am4059149},
year = 2014,
pages = {3630-3639},
number = 5,
volume = 6,
journal = {ACS Appl. Mater. Interfaces},
keywords = {orgmode, },
author = {Prateek Mehta and Paul A. Salvador and John R. Kitchin},
}
@article{hallenbeck-2013-effec,
title = {Effects of \ce{O_2} and \ce{SO_2} on the Capture Capacity of a
Primary-Amine Based Polymeric \ce{CO_2} Sorbent},
eprint = "http://pubs.acs.org/doi/pdf/10.1021/ie400582a",
url = "http://pubs.acs.org/doi/abs/10.1021/ie400582a",
doi = "10.1021/ie400582a",
year = 2013,
pages = "10788-10794",
journal = "Industrial \& Engineering Chemistry Research",
keywords = {RUA, orgmode},
author = "Hallenbeck, Alexander P. and Kitchin, John R.",
}
@article{oexmann-2010-minim-co2,
author = {Jochen Oexmann and Alfons Kather},
title = {Minimising the Regeneration Heat Duty of Post-Combustion Co2
Capture By Wet Chemical Absorption: The Misguided Focus on Low
Heat of Absorption Solvents},
journal = {International Journal of Greenhouse Gas Control},
volume = 4,
number = 1,
pages = {36-43},
year = 2010,
doi = {10.1016/j.ijggc.2009.09.010},
url = {http://dx.doi.org/10.1016/j.ijggc.2009.09.010},
date_added = {Sun Jun 7 11:30:15 2015},
}