Journal Articles



  1. S. Husremovic, A. Mahdavi-Shakib, S. Banerjee, S. Ki, J. Glynn, L. Babb, J. Sempel, I. Stavrinoudis, J. M. Arce Ramos, L. C. Grabow, T. J. Schwartz, R. Nelson, A. Zangiabadi, K. Barmak, S. J. L. Billinge, B. G. Frederick, R. N. Austin, "The impact of titania crystal structure and surface chemistry on the catalytic activity of hydrogen-efficient Ru/TiO2 deoxygenation catalysts", submitted, 2019

  2. J. E. Bruno, N. S. Dwarica; A. Hüther; K.B. Sravan Kumar; Z. Chen; C. S. Guzman; E. R. Hand; W. C. Moore; R. M. Rioux; L. C. Grabow, B. D. Chandler, "On the Limited Role of Electronic Support Effects in Selective Alkyne Hydrogenation: A Kinetic Study of Au/MOx Catalysts Prepared from Oleylamine-Capped Colloidal Nanoparticles", ChemCatChem, [DOI], 2019

  3. P. Hu, Y. Zhang, X. Chi, K. Rao, F. Hao, H. Dong, F. Guo, Y. Ren, L.C. Grabow, Y. Yao, "Stabilizing the Interface between Sodium Metal Anode and Sulfide Solid-State Electrolyte with a Polymer-Cellulose Interlayer", ACS Applied Materials & Interfaces, [DOI], 2019

  4. T. Whittaker, S. Kumar K. B., C. Peterson, M. Pollock, L. C. Grabow, B. D. Chandler, "H2 Oxidation over Supported Au Nanoparticle Catalysts: Evidence for Heterolytic H2 Activation at the Metal-Support Interface", Journal of the American Chemical Society 140, 16469–16487 [DOI], 2018

  5. Y. Song, L. C. Grabow, "Activity Trends for Catalytic CO and NO Co-Oxidation at Low Temperature Diesel Emission Conditions", Industrial & Engineering Chemistry Research 57, 12715–12725 [DOI], 2018 (selected as cover artwork)

  6. D. E. Schipper, Z. Zhao, H. Thirumalai, A. P. Leitner, S. L. Donaldson, A. Kumar, F. Qin, Z. Wang, L. C. Grabow, J. Bao, K. H. Whitmire, "Effects of Catalyst Phase on the Hydrogen Evolution Reaction of Water Splitting: Preparation of Phase-Pure Films of FeP, Fe2P, and Fe3P and their Relative Catalytic Activities", Chemistry of Materials 30, 3588–3598 [DOI], 2018

  7. S. Kasiraju, L. C. Grabow, "Learning from the past: Are catalyst design principles transferrable between hydrodesulfurization and deoxygenation?", AIChE Journal 64, 3121–3133 [DOI], 2018

  8. Y. Jangjou, Q. Do, Y. Gu, L.-G. Lim, H. Sun, D. Wang, A. Kumar, J. Li, L. C. Grabow, W. S. Epling, "On the nature of Cu active centers in Cu-SSZ-13 and their responses to SO2 exposure", ACS Catalysis 8, 1325-1337 [DOI], 2018

  9. S. Guo, K. Heck, S. Kasiraju, H. Qian, Z. Zhao, L. C. Grabow, J. Miller, M. Wong, "Insights into Nitrate Degradation over Indium-decorated Palladium Nanoparticle Catalysts", ACS Catalysis 8, 503-515 [DOI], 2018

  10. K. A. Goulas, Y. Song, G. R. Johnson, J. P. Chen, A. A. Gokhale, L. C. Grabow, F. D. Toste, "Selectivity Tuning over Monometallic and Bimetallic Dehydrogenation Catalysts: Effects of Support and Particle Size ", Catalysis Science & Technology 8, 314-327 [DOI], 2018

  11. Z. Zhao, F. Qin, S. Kasiraju, L. Xie, Md K. Alam, S. Chen, D. Wang, Z. Ren, Z. Wang, L. C. Grabow, J. Bao, "Vertically Aligned MoS2/Mo2C hybrid Nanosheets Grown on Carbon Paper for Efficient Electrocatalytic Hydrogen Evolution", ACS Catalysis 7, 7312-7318 [DOI], 2017

  12. Q. Yuan, H. A. Doan, L. C. Grabow, S. R. Brankovic, "Finite Size Effects in Sub-Monolayer Catalysts investigated by CO Electrosorption on PtsML/Pd(100)", Journal of the American Chemical Society 139, 13676–13679 [DOI], 2017

  13. Z. Zhao, D. E. Schipper, A. Leitner, H. Thirumalai, J.-H. Chen, L. Xie, F. Qin, M. Alam, L. C. Grabow, S. Chen, D. Wang, Z. Ren, Z. Wang, K. Whitmire, J. Bao, "Bifunctional Metal Phosphide FeMnP Nanoplatelets from Single Source Metal Organic Chemical Vapour Deposition for Efficient Overall Water Splitting", Nano Energy 39, 444-453 [DOI], 2017

  14. T. O. Omotoso, B. Baek, L. C. Grabow, S. P. Crossley, "Experimental and First-Principles Evidence for Interfacial Activity of Ru/TiO2 for the Direct Conversion of m-Cresol to Toluene", ChemCatChem 9, 2642-2651 [DOI], 2017 (selected as cover artwork and profile)

  15. M.-F. Hsieh, Y. Zhou, H. Thirumalai, L. C. Grabow, J. D. Rimer, "Ag-promoted Dehydroaromatization of Ethylene over ZSM-5 Catalysts", ChemCatChem 9, 1675-1682 [DOI], 2017

  16. H. A. Doan, M. K. Sharma, W. S. Epling, L. C. Grabow, "From Active Site Models to Real Catalysts: Importance of the Material Gap in the Design of Pd Catalysts for Methane Oxidation", ChemCatChem 9, 1594-1600 [DOI], 2017 (selected as cover artwork and profile)

  17. B. Baek, A. Aboiralor, J. D. Massa, S. Wang, P. Kharidehal, L. C. Grabow, "Strategy to Improve Catalytic Trend Predictions for Methane Oxidation and Reforming", AIChE Journal 63, 66-77 [DOI], 2017

  18. M. D. Oleksiak, A. Ghorbanpour, M. T. Conato, B. P. McGrail, L. C. Grabow, R. K. Motkuri, J. D. Rimer, "Novel Synthesis Strategies for Ultrastable Zeolite GIS Polymorphs as Sorbents for Selective Separations", Chemistry - A European Journal 22, 16078-16088 [DOI], 2016 (selected as cover artwork and profile)

  19. H. V. Tran, H. A. Doan, B. D. Chandler, L. C. Grabow, "Water-assisted oxygen activation during selective oxidation reactions", Current Opinion in Chemical Engineering 13, 100-108 [DOI], 2016

  20. J. Shuai, H. D. Yoo, Y. Liang, Y. Li, Y. Yao, L. C. Grabow, "Density Functional Theory Study of Li, Na, and Mg Intercalation and Diffusion in MoS2 with Controlled Interlayer Spacing", Materials Research Express 3, 064001 [DOI], 2016

  21. K. A. Goulas, S. Sreekumar, Y. Song, P. Kharidehal, G. Gunbas, P. J. Dietrich, G. R. Johnson, Y. C. Wang, A. M. Grippo, L. C. Grabow, A. A. Gokhale, D. F. Toste, "Synergistic Effects in Bimetallic Palladium-Copper Catalysts Improve Selectivity in Oxygenate Coupling Reactions", Journal of the American Chemical Society 138, 6805-6812 [DOI], 2016

  22. A. Ghorbanpour, J. D. Rimer, L. C. Grabow, "Computational Assessment of the Dominant Factors Governing the Mechanism of Methanol Dehydration over H-ZSM-5 with Heterogeneous Al Distribution", ACS Catalysis 6, 2287–2298 [DOI], 2016

  23. R. Nelson, B. Baek, P. Ruiz, B. Goundie, A. Brooks, M. C. Wheeler, B. G. Frederick, L. C. Grabow, R. Narehood Austin, "Experimental And Theoretical Insights Into The Hydrogen-Efficient Direct Hydrodeoxygenation Mechanism Of Phenol Over Ru/TiO2", ACS Catalysis 5, 6509–6523 [DOI], 2015

  24. J. Arce-Ramos, L. C. Grabow, B. Handy, M.-G. Cardenas-Galindo, "On the Nature of Acid Sites in t-ZrO2/SiO2 Mixed Oxide: A Combined Experimental and Periodic DFT Study", The Journal of Physical Chemistry C 119, 15150–15159 [DOI], 2015

  25. A. Ghorbanpour, A. Gumidyala, L. C. Grabow, S. P. Crossley, J. D. Rimer, "Epitaxial Growth of ZSM-5@Silicalite-1: A Core-Shell Zeolite Designed with Passivated Surface Acidity", ACS Nano 9, 4006–4016 [DOI], 2015

  26. L. C. Grabow, Q. Yuan, H. A. Doan, S. R. Brankovic, "Novel 2D RuPt Core-Edge Nanocluster Catalyst for CO Electro-oxidation", Surface Science 640, 50-58 [DOI], 2015, featured as cover page image

  27. Y. Liang, H. D. Yoo, Y. Li, J. Shuai, H. A. Calderon, Francisco C. Robles Hernandez, L. C. Grabow, Y. Yao, "Interlayer-Expanded Molybdenum Disulfide Nanocomposites for Electrochemical Magnesium Storage", Nano Letters 15, 2194–2202 [DOI], 2015

  28. J. Saavedra, H. A. Doan, C. J. Pursell, L. C. Grabow, B. D. Chandler, "The critical role of water at the gold-titania interface in catalytic CO oxidation", Science 345, 1599-1602 [DOI], 2014

  29. A. Ghorbanpour, J. D. Rimer, L. C. Grabow, “Periodic, vdW-corrected density functional theory investigation of the effect of Al siting in H-ZSM-5 on chemisorption properties and site-specific acidity”, Catalysis Communications 52, 98-102 [DOI], 2014

  30. P. G. Moses, L. C. Grabow, E. M. Fernandez, B. Hinnemann, H. Topsøe, K. G. Knudsen, J. K. Nørskov, "Trends in hydrodesulfurization catalysis based on realistic surface models”, Catalysis Letters 144, 1425–1432 [DOI] , 2014

  31. P. Rubert-Nason, M. Mavrikakis, C. T. Maravelias, L. C. Grabow, L. T. Biegler, “Advanced solution methods for microkinetic models of catalytic reactions: A methanol synthesis case study”, AIChE Journal 60, 1336-1346 [DOI], 2014

  32. H. Zeuthen, W. Kudernatsch, G. Peng, L. R. Merte, L. K. Ono, L. Lammich, Y. Bai, L. C. Grabow, M. Mavrikakis, S. Wendt, F. Besenbacher, “Structure of Stoichiometric and Oxygen-Rich Ultrathin FeO(111) Films Grown on Pd(111)” ,The Journal of Physical Chemistry C 117, 15155-15163 [DOI], 2013

  33. J. Varley, H. A. Hansen, N. Ammitzbøll, L. C. Grabow, A. A. Peterson, J. Rossmeisl, J. K. Nørskov, “Ni-Fe-S cubanes in CO2 reduction electrocatalysis: A DFT study”, ACS Catalysis 3, 2640-2643 [DOI], 2013

  34. A. A. Peterson, L. C. Grabow, T. P. Brennan, B. Shong, C. Ooi, D. M. Wu, C. W. Li, A. Kushwaha, A. J. Medford, F. Mbuga, L. Li, J. K. Nørskov, “Finite-size effects in O and CO adsorption for the late transition metals”, Topics in Catalysis 55, 1276-1282 [DOI], 2012

  35. B. D. Chandler, S. Kendell, H. Doan, R. Korkosz, L. C. Grabow, C. J. Pursell, "NaBr Poisoning of Au/TiO2 Catalysts: Effects on Kinetics, Poisoning Mechanism, and Estimation of the Number of Catalytic Active Sites", ACS Catalysis 2​, 684-694 [DOI], 2012

  36. L. C. Grabow, "When Outliers Make All The Difference", ChemCatChem 4, 1887-1888 [DOI], 2012

  37. L. C. Grabow, B. Hvolbæk, H. Falsig, J. K. Nørskov, "Search Directions for Direct H2O2 Synthesis Catalysts Starting from Au12 Nanoclusters", Topics in Catalysis 55, 336-344 [DOI], 2012

  38. L. R. Merte, G. Peng, R. Bechstein, F. Rieboldt, C. A. Farberow, L. C. Grabow, W. Kudernatsch, S. Wendt, E. Laegsgaard, M. Mavrikakis, F. Besenbacher, "Water-Mediated Proton Hopping on an Iron Oxide Surface", Science 336​, 889-893 [DOI], 2012

  39. L. C. Grabow, F. Studt, F. Abild-Pedersen, V. Petzold, J. Kleis, T. Bligaard, J. K. Nørskov, “Descriptor-based Analysis applied to HCN synthesis from NH3 and CH4”, Angewandte Chemie International Edition 50, 4601-4605, Angewandte Chemie 123, 4697-4701 [DOI], 2011

  40. L. C. Grabow, M. Mavrikakis, “On the mechanism of methanol synthesis on Cu through CO and CO2 hydrogenation”, ACS Catalysis 1, 365-384 [DOI], 2011 (As of March/April 2016, this highly cited paper received enough citations to place it in the top 1% of the academic field of Chemistry based on a highly cited threshold for the field and publication year. Data from Essential Science Indicators℠)

  41. L. R. Merte, J. Knudsen, F. M. Eichhorn, S. Porsgaard, H. Zeuthen, L. C. Grabow, E. Lægsgaard, H. Bluhm, M. Salmeron, M. Mavrikakis, F. Besenbacher, “CO-induced embedding of Pt adatoms in a partially-reduced FeOx film on Pt(111)”, Journal of the American Chemical Society 133, 10692-10695 [DOI], 2011

  42. L. R. Merte, L. C. Grabow, G. Peng, J. Knudsen, H. Zeuthen, W. Kudernatsch, S. Porsgaard, E. Lægsgaard, M. Mavrikakis, F. Besenbacher, “Tip-Dependent Scanning Tunneling Microscopy Imaging of Ultrathin FeO Films on Pt(111)”, The Journal of Physical Chemistry C 115, 2089-2099 [DOI], 2011

  43. J. Knudsen, L. R. Merte, L. C. Grabow, F. M. Eichhorn, S. Porsgaard, H. Zeuthen, R. T. Vang, E. Lægsgaard, M. Mavrikakis, F. Besenbacher, “Reduction of FeO/Pt(111) thin films by exposure to atomic hydrogen”, Surface Science 604, 11-20 [DOI], 2010

  44. L. C. Grabow, B. Hvolbæk, J. K. Nørskov, “Understanding trends in catalytic activity: The effect of adsorbate-adsorbate interactions for CO oxidation over transition metals”, Topics in Catalysis 53, 298-310 [DOI], 2010

  45. S. Wang, B. Temel, G. Jones, L. C. Grabow, F. Studt, T. Bligaard, F. Abild-Pedersen, C. Christensen, J. K. Nørskov, “Universal Brønsted-Evans-Polanyi Relations for C-C, C-O, CN, N-O, N-N, and O-O Dissociation Reactions”, Catalysis Letters 141, 370-373 [DOI], 2010

  46. L. C. Grabow, J. J. Uhlrich, T. F. Kuech, M. Mavrikakis, “Effectiveness of in-situ NH3 annealing treatments for the removal of oxygen from GaN(0001) surfaces” Surface Science 603, 387-399 [DOI], 2009

  47. L. R. Merte, J. Knudsen, L. C. Grabow, R. T. Vang, E. Lægsgaard, M. Mavrikakis, F. Besenbacher, “Correlating STM contrast and atomic-scale structure by chemical modification: Vacancy dislocation loops on FeO/Pt(111)”, Surface Science Letters 603, L15-L18 [DOI], 2009

  48. J.J. Uhlrich, L. C. Grabow, M. Mavrikakis, T. F. Kuech, “Practical Surface Treatments and Surface Chemistry of n-Type and p-Type GaN”, Journal of Electronic Materials 37, 439-447 [DOI], 2008

  49. L. C. Grabow, A. A. Gokhale, S. Evans, J. A. Dumesic, M. Mavrikakis, “Mechanism of the water gas shift reaction on Pt: First principles, experiments, and microkinetic modeling”, The Journal of Physical Chemistry C 112, 4608-4617 [DOI], 2008

  50. L. C. Grabow, M. Mavrikakis, “Nanocatalysis Beyond the Gold-Rush Era”, Angewandte Chemie International Edition 47, 7390-7392 [DOI], Angewandte Chemie 120, 7500-7502 [DOI], 2008

  51. N. Schumacher, K. Andersson, L. C. Grabow, M. Mavrikakis, J. Nerlov, I. Chorkendorff, “Interaction of carbon dioxide with Cu overlayers on Pt(111)”, Surface Science 602, 702-711 [DOI], 2008

  52. S. Seo, L. C. Grabow, M. Mavrikakis, R. J. Hamers, N. J. Thompson, P. Evans, “Molecular-scale structural distortions near vacancies in pentacene”, Applied Physics Letters 92, 153313 [DOI], 2008

  53. L. C. Grabow, Y. Xu, M. Mavrikakis, “Lattice strain effects on the CO oxidation on Pt(111)”, Physical Chemistry Chemical Physics 8, 3369-3374 [DOI], 2006, featured as cover page image

  54. N. Schumacher, A. Boisen, S. Dahl, A. A. Gokhale, S. Kandoi, L. C. Grabow, J. A. Dumesic, M. Mavrikakis, I. Chorkendorff, “Trends in low temperature water-gas shift reactivity on transition metals”, Journal of Catalysis 229, 265-275 [DOI], 2005

  55. S. Kandoi, A. A. Gokhale, L. C. Grabow, J. A. Dumesic, M. Mavrikakis, “Why Au and Cu Are More Selective Than Pt for Preferential Oxidation of CO at Low Temperature”, Catalysis Letters 93, 93-100 [DOI], 2004


Book Chapters



  1. Lars C. Grabow, “Computational Catalyst Screening” in “Computational Catalysis” edited by A. Asthagiri and M. J. Janik. RSC Catalysis Series, Cambridge, UK [DOI], 2014