From: John Kitchin Date: Sun, 15 Mar 2015 20:59:15 +0000 (-0400) Subject: add new entries X-Git-Url: https://git.donarmstrong.com/?p=org-ref.git;a=commitdiff_plain;h=8b6e020c988216e2cba639ce152dcd076ec13cc2 add new entries --- diff --git a/org-ref.bib b/org-ref.bib index 3e72979..fc25a0a 100644 --- a/org-ref.bib +++ b/org-ref.bib @@ -8,3 +8,166 @@ 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 + Properties of Doped 4d and 5d Late Transition Metal Dioxides}, + 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 + Evolution Activity of Transition Metal Rutile Dioxides}, + 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 + \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 + 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 + Energies on \ce{Cu_{x}Pd_{1-x}} Alloy (111) Surfaces}, + 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.}, +} + +@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}, +} + +@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}, +} + +@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{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}, +} + +@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.", +}