title = {The Org Mode 8 Reference Manual - Organize your life with GNU
Emacs},
}
-@article{xu-2015-relat,
- 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},
- Title = {Relationships Between the Surface Electronic and Chemical
+@article{xu-2015-relat-between,
+ title = {Relationships Between the Surface Electronic and Chemical
Properties of Doped 4d and 5d Late Transition Metal Dioxides},
- Author = "Xu, Zhongnan and Kitchin, John R.",
+ 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,
- 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, },
- Title = {A Linear Response {DFT}+{U} Study of Trends in the Oxygen
+ title = {A Linear Response {DFT}+{U} Study of Trends in the Oxygen
Evolution Activity of Transition Metal Rutile Dioxides},
- Author = {Xu, Zhongnan and Rossmeisl, Jan and Kitchin, John R.},
+ 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-estim-bulk-si,
- 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},
- Title = {Supporting Information: Estimating Bulk-Composition-Dependent
+@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},
- Author = {Jacob R. Boes and Gamze Gumuslu and James B. Miller and Andrew
+ 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,
- Url = {http://dx.doi.org/10.1021/cs501585k},
- Doi = {10.1021/cs501585k},
- Year = 2015,
- Pages = {1020-1026},
- Volume = 5,
- Keywords = {orgmode},
- Journal = {ACS Catalysis},
- Title = {Estimating Bulk-Composition-Dependent \ce{H2} Adsorption
+ title = {Estimating Bulk-Composition-Dependent \ce{H2} Adsorption
Energies on \ce{Cu_{x}Pd_{1-x}} Alloy (111) Surfaces},
- Author = {Jacob R. Boes and Gamze Gumuslu and James B. Miller and Andrew
+ 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,
- 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, },
- Title = {Effects of Concentration, Crystal Structure,
- Magnetism, and Electronic Structure Method on
- First-Principles Oxygen Vacancy Formation Energy
- Trends in Perovskites},
- Author = {Curnan, Matthew T. and Kitchin, John R.},
+ 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,
- 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, },
- Title = {Simulating Temperature Programmed Desorption of
- Oxygen on {P}t(111) Using {DFT} Derived Coverage
- Dependent Desorption Barriers},
- Author = {Spencer D. Miller and Vladimir V. Pushkarev and
- Andrew J. Gellman and John R. Kitchin},
+ 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,
- 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, },
- Title = {Probing the Coverage Dependence of Site and
- Adsorbate Configurational Correlations on (111)
- Surfaces of Late Transition Metals},
- 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},
+ 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,
- 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, },
- Title = {Relating the Electronic Structure and Reactivity of
- the 3d Transition Metal Monoxide Surfaces},
- 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,
- 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, },
- Title = {Identifying Potential \ce{BO2} Oxide Polymorphs for
- Epitaxial Growth Candidates},
- Author = {Prateek Mehta and Paul A. Salvador and John
- R. Kitchin},
+ 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-o2,
- 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},
- Title = {Effects of \ce{O_2} and \ce{SO_2} on the capture
- capacity of a primary-amine based polymeric
- \ce{CO_2} sorbent},
- Author = "Hallenbeck, Alexander P. and Kitchin, John R.",
+@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