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Lars C. Grabow, Ph.D - Publications

Affiliations: 
Chemical and Biomolecular Engineering University of Houston, Houston, TX, United States 
Area:
Computational Catalysis, Interface Chemistry
Website:
http://grabow.chee.uh.edu

69 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
2021 Mahdavi-Shakib A, Kumar KBS, Whittaker TN, Xie T, Grabow L, Rioux RM, Chandler BD. Kinetics of H2 Adsorption at the Metal-Support Interface of Au/TiO2 Catalysts probed by Broad Background IR Absorbance. Angewandte Chemie (International Ed. in English). PMID 33403732 DOI: 10.1002/anie.202013359  0.679
2020 Zhou Y, Thirumalai H, Smith SK, Whitmire KH, Liu J, Frenkel AI, Grabow LC, Rimer JD. Ethylene Dehydroaromatization over Ga-ZSM-5 Catalysts: Nature and Role of Gallium Speciation. Angewandte Chemie (International Ed. in English). PMID 32748507 DOI: 10.1002/Anie.202007147  0.364
2020 Kanchari Bavajigari SK, Whittaker T, Peterson C, Grabow LC, Chandler BD. Water Poisons H2 Activation at the Au-TiO2 Interface by Slowing Proton and Electron Transfer between Au and Titania. Journal of the American Chemical Society. PMID 32083865 DOI: 10.1021/Jacs.9B13729  0.679
2020 Salavati-fard T, Lobo RF, Grabow LC. Linking low and high temperature NO oxidation mechanisms over Brønsted acidic chabazite to dynamic changes of the active site Journal of Catalysis. 389: 195-206. DOI: 10.1016/J.Jcat.2020.05.029  0.35
2020 Ambast M, Karinshak K, Rahman BMM, Grabow LC, Harold MP. Passive NOx adsorption on Pd/H-ZSM-5: Experiments and modeling Applied Catalysis B: Environmental. 269: 118802. DOI: 10.1016/J.Apcatb.2020.118802  0.316
2020 Xu Y, Grabow LC. Catalytic Encounters at the Molecular Level: Gabor A. Somorjai Award Symposium for Creative Research in Catalysis in Honor of Professor Manos Mavrikakis Topics in Catalysis. 63: 617-617. DOI: 10.1007/S11244-020-01348-2  0.408
2019 Mahdavi-Shakib A, Arce-Ramos JM, Austin RN, Schwartz TJ, Grabow LC, Frederick BG. Frequencies and Thermal Stability of Isolated Surface Hydroxyls on Pyrogenic TiO2 Nanoparticles The Journal of Physical Chemistry C. 123: 24533-24548. DOI: 10.1021/Acs.Jpcc.9B05699  0.351
2019 Mahdavi-Shakib A, Husremovic S, Ki S, Glynn J, Babb L, Sempel J, Stavrinoudis I, Arce-Ramos J, Nelson R, Grabow LC, Schwartz TJ, Frederick BG, Austin RN. Titania surface chemistry and its influence on supported metal catalysts Polyhedron. 170: 41-50. DOI: 10.1016/J.Poly.2019.05.012  0.397
2019 Bruno JE, Sravan Kumar KB, Dwarica NS, Hüther A, Chen Z, Guzman CS, Hand ER, Moore WC, Rioux RM, Grabow LC, Chandler BD. On the Limited Role of Electronic Support Effects in Selective Alkyne Hydrogenation: A Kinetic Study of Au/MOxCatalysts Prepared from Oleylamine‐Capped Colloidal Nanoparticles Chemcatchem. 11: 1650-1664. DOI: 10.1002/Cctc.201801882  0.667
2018 Whittaker T, Kanchari Bavajigari SK, Peterson C, Pollock MN, Grabow LC, Chandler BD. H2 Oxidation over Supported Au Nanoparticle Catalysts: Evidence for Heterolytic H2 Activation at the Metal-Support Interface. Journal of the American Chemical Society. PMID 30231199 DOI: 10.1021/Jacs.8B04991  0.744
2018 Goulas KA, Song Y, Johnson GR, Chen JP, Gokhale AA, Grabow LC, Toste FD. Selectivity tuning over monometallic and bimetallic dehydrogenation catalysts: effects of support and particle size Catalysis Science & Technology. 8: 314-327. DOI: 10.1039/C7Cy01306J  0.347
2018 Jangjou Y, Do Q, Gu Y, Lim L, Sun H, Wang D, Kumar A, Li J, Grabow LC, Epling WS. Nature of Cu Active Centers in Cu-SSZ-13 and Their Responses to SO2Exposure Acs Catalysis. 8: 1325-1337. DOI: 10.1021/Acscatal.7B03095  0.376
2018 Song Y, Grabow LC. Activity Trends for Catalytic CO and NO Co-Oxidation at Low Temperature Diesel Emission Conditions Industrial & Engineering Chemistry Research. 57: 12715-12725. DOI: 10.1021/Acs.Iecr.8B01905  0.377
2018 Schipper DE, Zhao Z, Thirumalai H, Leitner AP, Donaldson SL, Kumar A, Qin F, Wang Z, Grabow LC, Bao J, Whitmire KH. 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: 10.1021/Acs.Chemmater.8B01624  0.359
2017 Yuan Q, Doan HA, Grabow LC, Brankovic SR. Finite Size Effects in Sub-Monolayer Catalysts investigated by CO Electrosorption on PtsML/Pd(100). Journal of the American Chemical Society. PMID 28910096 DOI: 10.1021/Jacs.7B08740  0.336
2017 Zhao Z, Qin F, Kasiraju S, Xie L, Alam MK, Chen S, Wang D, Ren Z, Wang Z, Grabow LC, Bao J. Vertically Aligned MoS2/Mo2C hybrid Nanosheets Grown on Carbon Paper for Efficient Electrocatalytic Hydrogen Evolution Acs Catalysis. 7: 7312-7318. DOI: 10.1021/Acscatal.7B02885  0.39
2017 Guo S, Heck K, Kasiraju S, Qian H, Zhao Z, Grabow LC, Miller JT, Wong MS. Insights into Nitrate Reduction over Indium-Decorated Palladium Nanoparticle Catalysts Acs Catalysis. 8: 503-515. DOI: 10.1021/Acscatal.7B01371  0.414
2017 Zhao Z, Schipper DE, Leitner AP, Thirumalai H, Chen J, Xie L, Qin F, Alam MK, Grabow LC, Chen S, Wang D, Ren Z, Wang Z, Whitmire KH, Bao J. Bifunctional metal phosphide FeMnP films from single source metal organic chemical vapor deposition for efficient overall water splitting Nano Energy. 39: 444-453. DOI: 10.1016/J.Nanoen.2017.07.027  0.4
2017 Omotoso TO, Baek B, Grabow LC, Crossley SP. Cover Picture: Experimental and First-Principles Evidence for Interfacial Activity of Ru/TiO2 for the Direct Conversion of m -Cresol to Toluene (ChemCatChem 14/2017) Chemcatchem. 9: 2610-2610. DOI: 10.1002/Cctc.201701110  0.315
2017 Doan HA, Sharma MK, Epling WS, Grabow LC. Cover Picture: From Active‐Site Models to Real Catalysts: Importance of the Material Gap in the Design of Pd Catalysts for Methane Oxidation (ChemCatChem 9/2017) Chemcatchem. 9: 1518-1518. DOI: 10.1002/Cctc.201700661  0.351
2017 Hsieh M, Zhou Y, Thirumalai H, Grabow LC, Rimer JD. Silver‐Promoted Dehydroaromatization of Ethylene over ZSM‐5 Catalysts Chemcatchem. 9: 1675-1682. DOI: 10.1002/Cctc.201700192  0.404
2017 Omotoso TO, Baek B, Grabow LC, Crossley SP. 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: 10.1002/Cctc.201700157  0.388
2017 Doan HA, Sharma MK, Epling WS, Grabow LC. 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: 10.1002/Cctc.201601333  0.374
2016 Oleksiak MD, Ghorbanpour A, Conato MT, McGrail BP, Grabow LC, Motkuri RK, Rimer JD. Synthesis Strategies for Ultrastable Zeolite GIS Polymorphs as Sorbents for Selective Separations. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27588557 DOI: 10.1002/Chem.201602653  0.33
2016 Goulas KA, Sreekumar S, Song Y, Kharidehal P, Gunbas G, Dietrich PJ, Johnson GR, Wang YC, Grippo AM, Grabow LC, Gokhale AA, Toste FD. Synergistic Effects in Bimetallic Palladium-Copper Catalysts Improve Selectivity in Oxygenate Coupling Reactions. Journal of the American Chemical Society. PMID 27195582 DOI: 10.1021/Jacs.6B02247  0.393
2016 Ghorbanpour A, Rimer JD, Grabow LC. Computational Assessment of the Dominant Factors Governing the Mechanism of Methanol Dehydration over H-ZSM-5 with Heterogeneous Aluminum Distribution Acs Catalysis. 6: 2287-2298. DOI: 10.1021/Acscatal.5B02367  0.37
2016 Tran HV, Doan HA, Chandler BD, Grabow LC. Water-assisted oxygen activation during selective oxidation reactions Current Opinion in Chemical Engineering. 13: 100-108. DOI: 10.1016/J.Coche.2016.08.010  0.698
2016 Baek B, Aboiralor A, Wang S, Kharidehal P, Grabow LC, Massa JD. Strategy to improve catalytic trend predictions for methane oxidation and reforming Aiche Journal. DOI: 10.1002/Aic.15404  0.431
2015 Ghorbanpour A, Gumidyala A, Grabow LC, Crossley SP, Rimer JD. Epitaxial Growth of ZSM-5@Silicalite-1: A Core-Shell Zeolite Designed with Passivated Surface Acidity. Acs Nano. 9: 4006-16. PMID 25824422 DOI: 10.1021/Acsnano.5B01308  0.316
2015 Nelson RC, Baek B, Ruiz P, Goundie B, Brooks A, Wheeler MC, Frederick BG, Grabow LC, Austin RN. Experimental and Theoretical Insights into the Hydrogen-Efficient Direct Hydrodeoxygenation Mechanism of Phenol over Ru/TiO2 Acs Catalysis. 5: 6509-6523. DOI: 10.1021/Acscatal.5B01554  0.467
2015 Arce-Ramos JM, Grabow LC, Handy BE, Cárdenas-Galindo MG. Nature of Acid Sites in Silica-Supported Zirconium Oxide: A Combined Experimental and Periodic DFT Study Journal of Physical Chemistry C. 119: 15150-15159. DOI: 10.1021/Acs.Jpcc.5B02394  0.346
2015 Grabow LC, Yuan Q, Doan HA, Brankovic SR. Novel 2D RuPt core-edge nanocluster catalyst for CO electro-oxidation Surface Science. DOI: 10.1016/J.Susc.2015.03.021  0.443
2014 Saavedra J, Doan HA, Pursell CJ, Grabow LC, Chandler BD. The critical role of water at the gold-titania interface in catalytic CO oxidation. Science (New York, N.Y.). 345: 1599-602. PMID 25190716 DOI: 10.1126/Science.1256018  0.746
2014 Saavedra J, Doan HA, Pursell CJ, Grabow LC, Chandler BD. The critical role of water at the gold-titania interface in catalytic CO oxidation Science. 345: 1599-1602. DOI: 10.1126/science.1256018  0.662
2014 Ghorbanpour A, Rimer JD, Grabow LC. 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: 10.1016/J.Catcom.2014.04.005  0.351
2014 Moses PG, Grabow LC, Fernandez EM, Hinnemann B, Topsøe H, Knudsen KG, Nørskov JK. Trends in hydrodesulfurization catalysis based on realistic surface models Catalysis Letters. 144: 1425-1432. DOI: 10.1007/S10562-014-1279-4  0.549
2014 Rubert-Nason P, Mavrikakis M, Maravelias CT, Grabow LC, Biegler LT. Advanced solution methods for microkinetic models of catalytic reactions: A methanol synthesis case study Aiche Journal. 60: 1336-1346. DOI: 10.1002/Aic.14322  0.716
2013 Zeuthen H, Kudernatsch W, Peng G, Merte LR, Ono LK, Lammich L, Bai Y, Grabow LC, Mavrikakis M, Wendt S, Besenbacher F. Structure of stoichiometric and oxygen-rich ultrathin FeO(111) Films grown on Pd(111) Journal of Physical Chemistry C. 117: 15155-15163. DOI: 10.1021/Jp4042638  0.48
2013 Varley JB, Hansen HA, Ammitzbøll NL, Grabow LC, Peterson AA, Rossmeisl J, Nørskov JK. Ni-Fe-S cubanes in CO2 reduction electrocatalysis: A DFT study Acs Catalysis. 3: 2640-2643. DOI: 10.1021/Cs4005419  0.663
2012 Merte LR, Peng G, Bechstein R, Rieboldt F, Farberow CA, Grabow LC, Kudernatsch W, Wendt S, Lægsgaard E, Mavrikakis M, Besenbacher F. Water-mediated proton hopping on an iron oxide surface. Science (New York, N.Y.). 336: 889-93. PMID 22605771 DOI: 10.1126/Science.1219468  0.567
2012 Chandler BD, Kendell S, Doan H, Korkosz R, Grabow LC, Pursell CJ. NaBr poisoning of Au/TiO 2 catalysts: Effects on kinetics, poisoning mechanism, and estimation of the number of catalytic active sites Acs Catalysis. 2: 684-694. DOI: 10.1021/Cs200693G  0.717
2012 Peterson AA, Grabow LC, Brennan TP, Shong B, Ooi C, Wu DM, Li CW, Kushwaha A, Medford AJ, Mbuga F, Li L, Nørskov JK. Finite-size effects in O and CO adsorption for the late transition metals Topics in Catalysis. 55: 1276-1282. DOI: 10.1007/S11244-012-9908-X  0.664
2012 Grabow LC, Hvolbæk B, Falsig H, Nørskov JK. Search directions for direct H 2O 2 synthesis catalysts starting from Au 12 nanoclusters Topics in Catalysis. 55: 336-344. DOI: 10.1007/S11244-012-9798-Y  0.593
2011 Merte LR, Knudsen J, Eichhorn FM, Porsgaard S, Zeuthen H, Grabow LC, Lægsgaard E, Bluhm H, Salmeron M, Mavrikakis M, Besenbacher F. CO-induced embedding of Pt adatoms in a partially reduced FeO(x) film on Pt(111). Journal of the American Chemical Society. 133: 10692-5. PMID 21707081 DOI: 10.1021/Ja2015923  0.52
2011 Grabow LC, Studt F, Abild-Pedersen F, Petzold V, Kleis J, Bligaard T, Nørskov JK. Descriptor-based analysis applied to HCN synthesis from NH3 and CH4 Angewandte Chemie - International Edition. 50: 4601-4605. PMID 21500324 DOI: 10.1002/Ange.201100353  0.536
2011 Merte LR, Grabow LC, Peng G, Knudsen J, Zeuthen H, Kudernatsch W, Porsgaard S, Laegsgaard E, Mavrikakis M, Besenbacher F. Tip-dependent scanning tunneling microscopy imaging of ultrathin FeO films on Pt(111) Journal of Physical Chemistry C. 115: 2089-2099. DOI: 10.1021/Jp109581A  0.477
2011 Grabow LC, Mavrikakis M. Mechanism of methanol synthesis on cu through CO 2 and CO hydrogenation Acs Catalysis. 1: 365-384. DOI: 10.1021/Cs200055D  0.58
2011 Wang S, Temel B, Shen J, Jones G, Grabow LC, Studt F, Bligaard T, Abild-Pedersen F, Christensen CH, Nørskov JK. Universal Brønsted-Evans-Polanyi relations for C-C, C-O, C-N, N-O, N-N, and O-O dissociation reactions Catalysis Letters. 141: 370-373. DOI: 10.1007/S10562-010-0477-Y  0.463
2011 Rubert-Nason PB, Grabow LC, Biegler L, Mavrikakis M, Maravelias C. Optimization-based methods for catalysis: developing improved approaches to microkinetic modeling and their application to methanol synthesis 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 0.69
2010 Knudsen J, Merte LR, Grabow LC, Eichhorn FM, Porsgaard S, Zeuthen H, Vang RT, Lægsgaard E, Mavrikakis M, Besenbacher F. Reduction of FeO/Pt(1 1 1) thin films by exposure to atomic hydrogen Surface Science. 604: 11-20. DOI: 10.1016/J.Susc.2009.10.008  0.507
2010 Grabow LC, Hvolbæk B, Nørskov JK. Understanding trends in catalytic activity: The effect of adsorbate-adsorbate interactions for Co oxidation over transition metals Topics in Catalysis. 53: 298-310. DOI: 10.1007/S11244-010-9455-2  0.516
2010 Grabow LC, Mavrikakis M. On the reaction mechanism of methanol synthesis and water-gas-shift on Cu Acs National Meeting Book of Abstracts 0.466
2010 Grabow LC, Mavrikakis M. On the reaction mechanism of methanol synthesis and the water gas shift reaction on Cu 10aiche - 2010 Aiche Annual Meeting, Conference Proceedings 0.473
2009 Grabow LC, Uhlrich JJ, Kuech TF, Mavrikakis M. Effectiveness of in situ NH3 annealing treatments for the removal of oxygen from GaN surfaces Surface Science. 603: 387-399. DOI: 10.1016/J.Susc.2008.11.029  0.553
2009 Merte LR, Knudsen J, Grabow LC, Vang RT, Lægsgaard E, Mavrikakis M, Besenbacher F. Correlating STM contrast and atomic-scale structure by chemical modification: Vacancy dislocation loops on FeO/Pt(1 1 1) Surface Science. 603: L15-L18. DOI: 10.1016/J.Susc.2008.11.014  0.528
2008 Grabow LC, Mavrikakis M. Nanocatalysis beyond the gold-rush era. Angewandte Chemie (International Ed. in English). 47: 7390-2. PMID 18688901 DOI: 10.1002/Anie.200802592  0.457
2008 Seo S, Grabow LC, Mavrikakis M, Hamers RJ, Thompson NJ, Evans PG. Molecular-scale structural distortion near vacancies in pentacene Applied Physics Letters. 92. DOI: 10.1063/1.2913687  0.466
2008 Grabow LC, Gokhale AA, Evans ST, Dumesic JA, Mavrikakis M. Mechanism of the water gas shift reaction on Pt: First principles, experiments, and microkinetic modeling Journal of Physical Chemistry C. 112: 4608-4617. DOI: 10.1021/Jp7099702  0.584
2008 Schumacher N, Andersson K, Grabow LC, Mavrikakis M, Nerlov J, Chorkendorff I. Interaction of carbon dioxide with Cu overlayers on Pt(1 1 1) Surface Science. 602: 702-711. DOI: 10.1016/J.Susc.2007.11.030  0.517
2008 Uhlrich JJ, Grabow LC, Mavrikakis M, Kuech TF. Practical surface treatments and surface chemistry of n-type and p-type GaN Journal of Electronic Materials. 37: 439-447. DOI: 10.1007/S11664-007-0348-5  0.493
2008 Grabow L, Mavrikakis M. Nanokatalyse: Nach dem Goldrausch Angewandte Chemie. 120: 7500-7502. DOI: 10.1002/Ange.200802592  0.408
2007 Grabow LC, Uhlrich JJ, Kuech TF, Mavrikakis M. Towards a functional organic-inorganic semiconductor interface 2007 Aiche Annual Meeting 0.358
2007 Grabow LC, Mavrikakis M. Microkinetic model on the basis of density functional theory results for methanol synthesis on Cu(111) 2007 Aiche Annual Meeting 0.432
2006 Grabow L, Xu Y, Mavrikakis M. Lattice strain effects on CO oxidation on Pt(111). Physical Chemistry Chemical Physics : Pccp. 8: 3369-74. PMID 16855712 DOI: 10.1039/B606131A  0.587
2006 Grabow L, Gokhale AA, Evans S, Dumesic JA, Mavrikakis M. First principles, experiments, and microkinetic modeling of the water-gas-shift reaction on Pt(111) Aiche Annual Meeting, Conference Proceedings 0.492
2006 Grabow L, Mavrikakis M. An ab-initio study of methanol synthesis on Cu catalysts Aiche Annual Meeting, Conference Proceedings 0.477
2005 Schumacher N, Boisen A, Dahl S, Gokhale AA, Kandoi S, Grabow LC, Dumesic JA, Mavrikakis M, Chorkendorff I. Trends in low-temperature water-gas shift reactivity on transition metals Journal of Catalysis. 229: 265-275. DOI: 10.1016/J.Jcat.2004.10.025  0.567
2004 Kandoi S, Gokhale A, Grabow L, Dumesic J, Mavrikakis M. Why Au and Cu Are More Selective Than Pt for Preferential Oxidation of CO at Low Temperature Catalysis Letters. 93: 93-100. DOI: 10.1023/B:Catl.0000016955.66476.44  0.599
2004 Kandoi S,, Gokhale AA, Grabow LC, Dumesic JA, Mavrikakis M. Why Au and Cu are more selective than Pt for preferential oxidation of CO at low temperature Catalysis Letters. 93: 93-100.  0.456
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