John R. Kitchin, Ph.D. - Publications

Affiliations: 
2004 University of Delaware, Newark, DE, United States 
Area:
Heterogeneous catalysis

47 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Deshpande S, Kitchin JR, Viswanathan V. Quantifying Uncertainty in Activity Volcano Relationships for Oxygen Reduction Reaction Acs Catalysis. 6: 5251-5259. DOI: 10.1021/acscatal.6b00509  0.48
2016 Bligaard T, Bullock RM, Campbell CT, Chen JG, Gates BC, Gorte RJ, Jones CW, Jones WD, Kitchin JR, Scott SL. Toward Benchmarking in Catalysis Science: Best Practices, Challenges, and Opportunities Acs Catalysis. 6: 2590-2602. DOI: 10.1021/acscatal.6b00183  0.48
2016 Boes JR, Groenenboom MC, Keith JA, Kitchin JR. Neural network and ReaxFF comparison for Au properties International Journal of Quantum Chemistry. DOI: 10.1002/qua.25115  0.48
2015 Xu Z, Joshi YV, Raman S, Kitchin JR. Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method. The Journal of Chemical Physics. 142: 144701. PMID 25877590 DOI: 10.1063/1.4916823  0.48
2015 Gumuslu G, Kondratyuk P, Boes JR, Morreale B, Miller JB, Kitchin JR, Gellman AJ. Correlation of electronic structure with catalytic activity: H2-D2 exchange across CuxPd1- x composition space Acs Catalysis. 5: 3137-3147. DOI: 10.1021/cs501586t  0.48
2015 Boes JR, Gumuslu G, Miller JB, Gellman AJ, Kitchin JR. Estimating bulk-composition-dependent H2 adsorption energies on CuxPd1- x alloy (111) surfaces Acs Catalysis. 5: 1020-1026. DOI: 10.1021/cs501585k  0.48
2015 Michael JD, Demeter EL, Illes SM, Fan Q, Boes JR, Kitchin JR. Alkaline electrolyte and fe impurity effects on the performance and active-phase structure of niooh thin films for OER catalysis applications Journal of Physical Chemistry C. 119: 11475-11481. DOI: 10.1021/acs.jpcc.5b02458  0.48
2015 Watkins JD, Siefert NS, Zhou X, Myers CR, Kitchin JR, Hopkinson DP, Nulwala HB. Redox-Mediated Separation of Carbon Dioxide from Flue Gas Energy and Fuels. 29: 7508-7515. DOI: 10.1021/acs.energyfuels.5b01807  0.48
2015 Boes JR, Kondratyuk P, Yin C, Miller JB, Gellman AJ, Kitchin JR. Core level shifts in Cu-Pd alloys as a function of bulk composition and structure Surface Science. DOI: 10.1016/j.susc.2015.02.011  0.48
2014 Demeter EL, Hilburg SL, Washburn NR, Collins TJ, Kitchin JR. Electrocatalytic oxygen evolution with an immobilized TAML activator. Journal of the American Chemical Society. 136: 5603-6. PMID 24707993 DOI: 10.1021/ja5015986  0.48
2014 Mehta P, Salvador PA, Kitchin JR. Identifying potential BO2 oxide polymorphs for epitaxial growth candidates. Acs Applied Materials & Interfaces. 6: 3630-9. PMID 24503034 DOI: 10.1021/am4059149  0.48
2014 Thompson RL, Shi W, Albenze E, Kusuma VA, Hopkinson D, Damodaran K, Lee AS, Kitchin JR, Luebke DR, Nulwala H. Probing the effect of electron donation on CO2 absorbing 1,2,3-triazolide ionic liquids Rsc Advances. 4: 12748-12755. DOI: 10.1039/c3ra47097k  0.48
2014 Miller SD, Pushkarev VV, Gellman AJ, Kitchin JR. Simulating temperature programmed desorption of oxygen on Pt(111) using DFT derived coverage dependent desorption barriers Topics in Catalysis. 57: 106-117. DOI: 10.1007/s11244-013-0166-3  0.48
2013 Calle-Vallejo F, Inoglu NG, Su HY, Martínez JI, Man IC, Koper MTM, Kitchin JR, Rossmeisl J. Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides Chemical Science. 4: 1245-1249. DOI: 10.1039/c2sc21601a  0.48
2013 Mao JX, Lee AS, Kitchin JR, Nulwala HB, Luebke DR, Damodaran K. Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study Journal of Molecular Structure. 1038: 12-18. DOI: 10.1016/j.molstruc.2013.01.046  0.48
2013 Lee AS, Eslick JC, Miller DC, Kitchin JR. Comparisons of amine solvents for post-combustion CO2 capture: A multi-objective analysis approach International Journal of Greenhouse Gas Control. 18: 68-74. DOI: 10.1016/j.ijggc.2013.06.020  0.48
2012 Akhade SA, Kitchin JR. Effects of strain, d-band filling, and oxidation state on the surface electronic structure and reactivity of 3d perovskite surfaces. The Journal of Chemical Physics. 137: 084703. PMID 22938255 DOI: 10.1063/1.4746117  0.48
2012 Chao R, Munprom R, Petrova R, Gerdes K, Kitchin JR, Salvador PA. Structure and relative thermal stability of mesoporous (La, Sr) MnO 3powders prepared using evaporation-induced self-assembly methods Journal of the American Ceramic Society. 95: 2339-2346. DOI: 10.1111/j.1551-2916.2012.05236.x  0.48
2012 Lee AS, Kitchin JR. Chemical and molecular descriptors for the reactivity of amines with CO 2 Industrial and Engineering Chemistry Research. 51: 13609-13618. DOI: 10.1021/ie301419q  0.48
2012 Landon J, Demeter E, Inoǧlu N, Keturakis C, Wachs IE, Vasić R, Frenkel AI, Kitchin JR. Spectroscopic characterization of mixed Fe-Ni oxide electrocatalysts for the oxygen evolution reaction in alkaline electrolytes Acs Catalysis. 2: 1793-1801. DOI: 10.1021/cs3002644  0.48
2011 Akhade SA, Kitchin JR. Effects of strain, d-band filling, and oxidation state on the bulk electronic structure of cubic 3d perovskites. The Journal of Chemical Physics. 135: 104702. PMID 21932913 DOI: 10.1063/1.3631948  0.48
2011 Miller SD, Inoğlu N, Kitchin JR. Configurational correlations in the coverage dependent adsorption energies of oxygen atoms on late transition metal fcc(111) surfaces. The Journal of Chemical Physics. 134: 104709. PMID 21405186 DOI: 10.1063/1.3561287  0.48
2011 Chao R, Kitchin JR, Gerdes K, Sabolsky EM, Salvador PA. Preparation of Mesoporous La 0.8Sr 0.2MnO 3 infiltrated coatings in porous SOFC cathodes using evaporation-induced self-assembly methods Ecs Transactions. 35: 2387-2399. DOI: 10.1149/1.3570235  0.48
2011 Man IC, Su HY, Calle-Vallejo F, Hansen HA, Martínez JI, Inoglu NG, Kitchin J, Jaramillo TF, Nørskov JK, Rossmeisl J. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces Chemcatchem. 3: 1159-1165. DOI: 10.1002/cctc.201000397  0.48
2011 Lee AS, Kitchin JR. An electronic structure based understanding of amine-carbon dioxide interactions for CO 2 capture 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 0.48
2010 Pennline HW, Granite EJ, Luebke DR, Kitchin JR, Landon J, Weiland LM. Separation of CO2 from flue gas using electrochemical cells Fuel. 89: 1307-1314. DOI: 10.1016/j.fuel.2009.11.036  0.48
2009 Tierney HL, Baber AE, Kitchin JR, Sykes EC. Hydrogen dissociation and spillover on individual isolated palladium atoms. Physical Review Letters. 103: 246102. PMID 20366214 DOI: 10.1103/PhysRevLett.103.246102  0.48
2009 Han JW, Kitchin JR, Sholl DS. Step decoration of chiral metal surfaces. The Journal of Chemical Physics. 130: 124710. PMID 19334875 DOI: 10.1063/1.3096964  0.48
2009 Miller SD, Kitchin JR. Uncertainty and figure selection for DFT based cluster expansions for oxygen adsorption on Au and Pt (111) surfaces Molecular Simulation. 35: 920-927. DOI: 10.1080/08927020902833137  0.48
2009 Miller SD, Kitchin JR. Relating the coverage dependence of oxygen adsorption on Au and Pt fcc(1 1 1) surfaces through adsorbate-induced surface electronic structure effects Surface Science. 603: 794-801. DOI: 10.1016/j.susc.2009.01.021  0.48
2009 Tierney HL, Baber AE, Kitchin JR, Sykes ECH. Catalyzing the catalyst: Novel pathways to hydrogen dissociation and spillover on palladium alloys Acs National Meeting Book of Abstracts 0.48
2009 Pennline HW, Granite EJ, Luebke DR, Kitchin JR, Landon J, Weiland L. Ancillary oxygen-fired combustion using electrochemical cells Proceedings of the Air and Waste Management Association's Annual Conference and Exhibition, Awma. 4: 2886-2901.  0.48
2008 Miller SD, Kitchin JR. Evaluating uncertainty in Ab initio phase diagrams of oxygen on Pt and Au(111) Aiche Annual Meeting, Conference Proceedings 0.48
2008 Alesi WR, Kitchin JR, Gray ML. The effect of hydration on the adsorption of carbon dioxide with tertiary amidines on activated carbon Conference Proceedings - 2009 Aiche Spring National Meeting and 5th Global Congress On Process Safety 0.48
2006 Nørskov JK, Bligaard T, Logadottir A, Kitchin JR, Chen JG, Pandelov S, Stimming U. Response to "comment on 'trends in the exchange current for hydrogen evolution' [J. Electrochem. Soc., 152, J23 (2005)]" Journal of the Electrochemical Society. 153: L33. DOI: 10.1149/1.2358292  0.48
2005 Nørskov JK, Bligaard T, Logadottir A, Kitchin JR, Chen JG, Pandelov S, Stimming U. Trends in the exchange current for hydrogen evolution Journal of the Electrochemical Society. 152: J23-J26. DOI: 10.1149/1.1856988  0.48
2005 Kitchin JR, Nørskov JK, Barteau MA, Chen JG. Trends in the chemical properties of early transition metal carbide surfaces: A density functional study Catalysis Today. 105: 66-73. DOI: 10.1016/j.cattod.2005.04.008  0.48
2004 Kitchin JR, Nørskov JK, Barteau MA, Chen JG. Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces. Physical Review Letters. 93: 156801. PMID 15524919 DOI: 10.1103/PhysRevLett.93.156801  0.48
2004 Kitchin JR, Nørskov JK, Barteau MA, Chen JG. Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals. The Journal of Chemical Physics. 120: 10240-6. PMID 15268048 DOI: 10.1063/1.1737365  0.48
2004 Kitchin JR, Nørskov JK, Barteau MA, Chen JG. Role of strain and ligand effects in the modification of the electronic and chemical Properties of bimetallic surfaces Physical Review Letters. 93: 156801-1-156801-4. DOI: 10.1103/PhysRevLett.93.156801  0.48
2004 Kitchin JR, Nørskov JK, Barteau MA, Chen JG. Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals Journal of Chemical Physics. 120: 10240-10246. DOI: 10.1063/1.1737365  0.48
2004 Mhadeshwar AB, Kitchin JR, Barteau MA, Vlachos DG. The role of adsorbate-adsorbate interactions in the rate controlling step and the most abundant reaction intermediate of NH 3 decomposition on RU Catalysis Letters. 96: 13-22. DOI: 10.1023/B:CATL.0000029523.22277.e1  0.48
2004 Nørskov JK, Rossmeisl J, Logadottir A, Lindqvist L, Kitchin JR, Bligaard T, Jónsson H. Origin of the overpotential for oxygen reduction at a fuel-cell cathode Journal of Physical Chemistry B. 108: 17886-17892. DOI: 10.1021/jp047349j  0.48
2003 Kitchin JR, Barteau MA, Chen JG. A comparison of gold and molybdenum nanoparticles on TiO2(1 1 0) 1 × 2 reconstructed single crystal surfaces Surface Science. 526: 323-331. DOI: 10.1016/S0039-6028(02)02679-1  0.48
2003 Kitchin JR, Khan NA, Barteau MA, Chen JG, Yakshinskiy B, Madey TE. Elucidation of the active surface and origin of the weak metal-hydrogen bond on Ni/Pt(1 1 1) bimetallic surfaces: A surface science and density functional theory study Surface Science. 544: 295-308. DOI: 10.1016/j.susc.2003.09.007  0.48
2003 McCormick JR, Kitchin JR, Barteau MA, Chen JG. A four-point probe correlation of oxygen sensitivity to changes in surface resistivity of TiO2(0 0 1) and Pd-modified TiO2(0 0 1) Surface Science. 545: L741-L746. DOI: 10.1016/j.susc.2003.08.041  0.48
2002 Song IK, Kitchin JR, Barteau MA. H3PW12O40-functionalized tip for scanning tunneling microscopy. Proceedings of the National Academy of Sciences of the United States of America. 99: 6471-5. PMID 11904387 DOI: 10.1073/pnas.072514399  0.48
Show low-probability matches.