X-Git-Url: https://git.donarmstrong.com/?p=org-ref.git;a=blobdiff_plain;f=org-ref.bib;h=eea27fb6523750ddef29aa86955b04c145869e68;hp=3e72979b2f3e178bb8f6165574562313d04ec812;hb=6bf7673c665fc591126f30cfa5a62cbc7de73510;hpb=cb54459aba8ff73eab8c68894c2de173ea35b9e7 diff --git a/org-ref.bib b/org-ref.bib index 3e72979..eea27fb 100644 --- a/org-ref.bib +++ b/org-ref.bib @@ -8,3 +8,163 @@ 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.", +}