Source: https://dion.che.udel.edu/publications/2015-2/
Timestamp: 2019-04-22 00:07:57+00:00

Document:
W. Guo and D. G. Vlachos, Patched bimetallic surfaces are active catalysts for ammonia decomposition, Nature Communications 6, No. 8619 (2015).
M. J. Gilkey, P. Panagiotopoulou, A. V. Mironenko, G. R. Jenness, D. G. Vlachos and B. Xu, Mechanistic Insights into Metal Lewis Acid-Mediated Catalytic Transfer Hydrogenation of Furfural to 2-Methylfuran, ACS Catal. 5(7), 3988–3994 (2015).
J. R. Christianson, S. Caratzoulas and D. G. Vlachos, Computational Insight into the Effect of Sn-Beta Na Exchange and Solvent on Glucose Isomerization and Epimerization, ACS Catal. 5(9), 5256-5263 (2015).
V. Vorotnikov, and D. G. Vlachos, Group Additivity and Modified Linear Scaling Relations for Estimating Surface Thermochemistry on Transition Metal Surfaces: Application to Furanics, J. Phys. Chem C 119(19), 10417-10426 (2015).
M. A. Christiansen, G. Mpourmpakis and D. G. Vlachos, DFT-driven multi-site microkinetic modeling of ethanol conversion to ethylene and diethyl ether on γ-Al2O3(111), J. Catal. 323, 121-131 (2015).
G. R. Jenness and D. G. Vlachos, DFT Study of the Conversion of Furfuryl Alcohol to 2-Methylfuran on RuO2 (110), J. Phys. Chem. C 119(11), 5938-5945 (2015).
K. Lee, G. H. Gu, C. A. Mullen, A. A. Boateng and D. G. Vlachos, Guaiacol Hydrodeoxygenation Mechanism on Pt(111): Insights from Density Functional Theory and Linear Free Energy Relations, Chemsuschem 8(2), 315-322 (2015).
T. D. Swift, H. Nguyen, A. Anderki, V. Nikolakis, D. G. Vlachos, Tandem Lewis/Bronsted homogeneous acid catalysis: conversion of glucose to 5hydoxymethylfurfural in an aqueous chromium(III) chloride and hydrochloric acid solution, Green Chem. 17(10), 4725-4735 (2015).
J. Luo, L. Arroyo-Ramirez, R. J. Gorte, D. Tzoulaki and D. G. Vlachos, Hydrodeoxygenation of HMF Over Pt/C in a Continuous Flow Reactor, AIChE J. 61(2), 590-597 (2015).
A. V. Mironenko, M. J. Gilkey, P. Panagiotopoulou, G. Facas, D. G. Vlachos and B. Xu, Ring Activation of Furanic Compounds on Ruthenium-Based Catalysts, J. Phys. Chem. C 119(11), 6075-6085 (2015).
N. Nikbin, N. Austin, D. G. Vlachos, M. Stamatakis and G. Mpourmpakis, Catalysis at the sub-nanoscale: complex CO oxidation chemistry on a few Au atoms, Catalysis Science & Technology 5(1), 134-141 (2015).
M. Nunez and D. G. Vlachos, Steady state likelihood ratio sensitivity analysis for stiff kinetic Monte Carlo simulations, Journal of Chemical Physics 142(4), 7 (2015).
P. Panagiotopoulou, N. Martin and D. G. Vlachos, Liquid-Phase Catalytic Transfer Hydrogenation of Furfural over Homogeneous Lewis Acid-Ru/C Catalysts, ChemSusChem 8(12), 2046-2054 (2015).
R. E. Patet, N. Nikbin, C. L. Williams, S. K. Green, C.-C. Chang, W. Fan, S. Caratzoulas, P. J. Dauenhauer and D. G. Vlachos, Kinetic Regime Change in the Tandem Dehydrative Aromatization of Furan Diels–Alder Products, ACS Catal. 5(4), 2367-2375 (2015).
J. Rosen, G. S. Hutchings, Q. Lu, S. Rivera, Y. Zhou, D. G. Vlachos and F. Jiao, Mechanistic Insights into the Electrochemical Reduction of CO2 to CO on Nanostructured Ag Surfaces, ACS Catal. 5(7), 4293-4299 (2015).
J. E. Sutton and D. G. Vlachos, Building large microkinetic models with first-principles’ accuracy at reduced computational cost, Chem. Eng. Sci. 121, 190-199 (2015).
J. E. Sutton and D. G. Vlachos, Ethanol Activation on Closed-Packed Surfaces, Ind. Eng. Chem. Res. 54(16), 4213-4225 (2015).
V. Vorotnikov and D. G. Vlachos, Group Additivity and Modified Linear Scaling Relations for Estimating Surface Thermochemistry on Transition Metal Surfaces: Application to Furanics, J. Phys. Chem. C, In Press (2015).
S. Wang, V. Vorotnikov and D. G. Vlachos, Coverage-Induced Conformational Effects on Activity and Selectivity: Hydrogenation and Decarbonylation of Furfural on Pd(111), ACS Catal. 5(1), 104-112 (2015).
K. Xiong, W. Yu, D. G. Vlachos and J. G. Chen, Reaction Pathways of Biomass-Derived Oxygenates over Metals and Carbides: From Model Surfaces to Supported Catalysts, ChemCatChem 7(9), 1402-1421 (2015).
L. Yang, G. Tsilomelekis, S. Caratzoulas and D. G. Vlachos, Mechanism of Brønsted Acid-Catalyzed Glucose Dehydration, ChemSusChem 8(8), 1334-1341 (2015).

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