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.",
+}
projects / org-ref.git / blobdiff