Publications

Peer-reviewed publications of research supported in part or in whole under an EFRC are listed below. Publications are ordered first by year, then alphabetically by EFRC acronym, and finally alphabetically by first author. Links to the DOI and associated EFRC appear at the end of each citation. The publication list is updated periodically; the last such update was May 21, 2014.

2401.Tagliazucchi, Mario; Blaber, Martin G.; Schatz, George C.; Weiss, Emily A.; and Szleifer, Igal  Optical Properties of Responsive Hybrid Au@Polymer Nanoparticles  ACS Nano, 6, 8397-8406 (2012).  [DOI: 10.1021/nn303221yExternal link] [CBES]
2402.Tagliazucchi, Mario; Amin, Victor A.; Schneebeli, Severin T.; Stoddart, J. Fraser; and Weiss, Emily A.  High-Contrast Photopatterning of Photoluminescence within Quantum Dot Films through Degradation of a Charge-Transfer Quencher  Advanced Materials, 24, 3617-3621 (2012).  [DOI: 10.1002/adma.201201356External link] [CBES]
2403.Tagliazucchi, Mario; and Szleifer, Igal  Stimuli-responsive polymers grafted to nanopores and other nano-curved surfaces: structure, chemical equilibrium and transport  Soft Matter, 8, 7292-7305 (2012).  [DOI: 10.1039/C2SM25777GExternal link] [CBES]
2404.Tayi, Alok S.; Shveyd, Alexander K.; Sue, Andrew C. H.; Szarko, Jodi M.; Rolczynski, Brian S.; Cao, Dennis; Kennedy, T. Jackson; Sarjeant, Amy A.; Stern, Charlotte L.; Paxton, Walter F.; Wu, Wei; Dey, Sanjeev K.; Fahrenbach, Albert C.; Guest, Jeffrey R.; Mohseni, Hooman; Chen, Lin X.; Wang, Kang L.; Stoddart, J. Fraser; and Stupp, Samuel I.  Room-temperature ferroelectricity in supramolecular networks of charge-transfer complexes  Nature, 488, 485-489 (2012).  [DOI: 10.1038/nature11395External link] [CBES]
2405.Tejerina, B.; Gothard, C. M.; and Grzybowski, Bartosz A.  Molecular Tethering or Aggregation: Is the Existence of Charge-Transfer Bands Indicative of the Formation of Blue-Box/Tetrathiafulvalene Inclusion Complexes?  Chemistry – A European Journal, 18 (18), 5606-5611 (2012).  [DOI: 10.1002/chem.201103388External link] [CBES]
2406.Thuo, Martin M.; Reus, William F.; Kim, Choongik; Simeone, Felice Carlo; Schulz, Michael D.; Yoon, Hyo Jae; and Whitesides, George M.  Replacing -CH2CH2- with -CONH- does not Significantly Change Rates of Charge Transport through AgTS-SAM//Ga2O3/EGaIn Junctions  Journal of the American Chemical Society, 134, 10876-10884 (2012).  [DOI: 10.1021/ja301778sExternal link] [CBES]
2407.Warren, Scott C.; Guney-Altay, Ozge; and Grzybowski, Bartosz A.  Responsive and Nonequilibrium Nanomaterials  The Journal of Physical Chemistry Letters, 3, 2103-2111 (2012).  [DOI: 10.1021/jz300584cExternal link] [CBES]
2408.Warren, Scott C.; Walker, David Alan; and Grzybowski, Bartosz A.  Plasmoelectronics: coupling plasmonic excitation with electron flow  Langmuir, , (2012).  [DOI: 10.1021/la300377jExternal link] [CBES]
2409.Wei, Yanhu; Han, Shuangbing; Walker, David A.; Fuller, Patrick E.; and Grzybowski, Bartosz A.  Nanoparticle Core/Shell Architectures within MOF Crystals Synthesized by Reaction Diffusion  Angewandte Chemie International Edition, 51, 7435-7439 (2012).  [DOI: 10.1002/anie.201202549External link] [CBES]
2410.Wei, Yanhu; Han, Shuangbing; Walker, David A.; Warren, Scott C.; and Grzybowski, Bartosz A.  Enhanced photocatalytic activity of hybrid Fe2O3-Pd nanoparticulate catalysts  Chemical Science, 3, 1090-1094 (2012).  [DOI: 10.1039/C2SC00673AExternal link] [CBES]
2411.Yoon, Hyo Jae; Shapiro, Nathan D.; Park, Kyeng Min; Thuo, Martin M.; Soh, Siowling; and Whitesides, George M.  The Rate of Charge Tunneling through Self-Assembled Monolayers Is Insensitive to Many Functional Group Substitutions  Angewandte Chemie International Edition, 51, 4658-4661 (2012).  [DOI: 10.1002/anie.201201448External link] [CBES]
2412.Young, Kaylie L.; Jones, Matthew R.; Zhang, Jian; Macfarlane, Robert J.; Esquivel-Sirvent, Raul; Nap, Rikkert J.; Wu, Jinsong; Schatz, George C.; Lee, Byeongdu; and Mirkin, Chad A.  Assembly of reconfigurable one-dimensional colloidal superlattices due to a synergy of fundamental nanoscale forces  Proceedings of the National Academy of Sciences, 109 (7), 2240-2245 (2012).  [DOI: 10.1073/pnas.1119301109External link] [CBES]
2413.Zhang, Ke; Hao, Liangliang; Hurst, Sarah J.; and Mirkin, Chad A.  Antibody-Linked Spherical Nucleic Acids for Cellular Targeting  Journal of the American Chemical Society, 134, 16488-16491 (2012).  [DOI: 10.1021/ja306854dExternal link] [CBES]
2414.Zhou, Xiaozhu; Shade, Chad M.; Schmucker, Abrin L.; Brown, Keith A.; He, Shu; Boey, Freddy; Ma, Jan; Zhang, Hua; and Mirkin, Chad A.  OWL-Based Nanomasks for Preparing Graphene Ribbons with Sub-10 nm Gaps  Nano Letters, 12, 4734-4737 (2012).  [DOI: 10.1021/nl302171zExternal link] [CBES]
2415.Baimpos, T.; Nikolakis, V.; and Kouzoudis, D.  A New Method for Measuring the Adsorption Induced Stresses of Zeolite Films Using Magnetoelastic Sensors  J. Membr. Sci., 390-391, 130-140 (2012).  [DOI: 10.1016/j.memsci.2011.11.031External link] [CCEI]
2416.Baimpos, T.; Nikolakis, V.; Kouzoudis, D.; and Gora, L.  Selective Detection of Hazardous VOCs Using Zeolite/Metglas Composite Sensors  Sensors and Actuators A: Phys., 186, 21-31 (2012).  [DOI: 10.1016/j.sna.2011.12.030External link] [CCEI]
2417.Bermejo-Deval, R.; Gounder, R.; and Davis, M. E.  Framework and Extraframework Tin Sites in Zeolite Beta React Glucose Differently  ACS Catal., 2, 2705-2713 (2012).  [DOI: 10.1021/cs300474xExternal link] [CCEI]
2418.Bermejo-Deval, R.; Assary, R. S.; Nikolla, E.; Moliner, M.; Roman-Leshkov, Y.; Hwang, S. J.; Palsdottir, A.; Silverman, D.; Lobo, R.; Curtiss, L. A.; and Davis, M. E.  Metalloenzyme-like Catalyzed Isomerizations of Sugars by Lewis Acid Zeolites  Proc. Nat. Acad. Sci. USA, 109(25), 9727-9732 (2012).  [DOI: 10.1073/pnas.1206708109External link] [CCEI]
2419.Bramsiepe, C; Sievers, S; Seifert, T; Stefanidis, G D; Vlachos, Dion G.; Schnitzer, H; Muster, B; Brunner, C; Sanders, J P.M.; Bruins, M E; and Schembecker, G  Low cost, small scale processing technologies for production applications in various environments: Mass produced factories  Chem. Eng. Process., 51, 32-52 (2012).  [DOI: 10.1016/j.cep.2011.08.005External link] [CCEI]
2420.Catapan, R. C.; Oliveira, A. A. M.; Chen, Y.; and Vlachos, D. G.  DFT Study of the Water-Gas Shift Reaction and Coke Formation on Ni(111) and Ni(211) Surfaces  J. Phys. Chem. C, 116(38), 20281–20291 (2012).  [DOI: 10.1021/jp302488fExternal link] [CCEI]
2421.Chang, C.-C.; Wang, Z.; Dornath, P.; Cho, H. J.; and Fan, W.  Rapid Synthesis of Sn-Beta for the Isomerization of Cellulosic Sugars  RSC Adv., 2, 10475-10477 (2012).  [DOI: 10.1039/C2RA21381HExternal link] [CCEI]
2422.Charitidis, C. A.; Koumoulos, E. P.; Nikolakis, V.; and Dragatogiannis, D. A.  Structural and nanomechanical properties of a zeolite membrane measured using nanoindentation  Thin Solid Films, 526, 168-175 (2012).  [DOI: 10.1016/j.tsf.2012.10.021External link] [CCEI]
2423.Cheng, Y.-T.; Wang, Z.; Gilbert, C. J.; Fan, W.; and Huber, G. W.  Production of p-Xylene from Biomass by Catalytic Fast Pyrolysis Using ZSM-5 Catalysts with Reduced Pore Openings  Angew. Chemie - Int. Ed., 51(44), 11097–11100 (2012).  [DOI: 10.1002/anie.201205230External link] [CCEI]
2424.Cheng, Y.-T.; and Huber, G. W.  Production of targeted aromatics by using Diels–Alder classes of reactions with furans and olefins over ZSM-5  Green Chem., 14, 3114-3125 (2012).  [DOI: 10.1039/C2GC35767DExternal link] [CCEI]
2425.Cheng, Yu-Ting; Jae, Jungho; Shi, Jian; Fan, Wei; and Huber, George W.  Production of Renewable Aromatic Compounds by Catalytic Fast Pyrolysis of Lignocellulosic Biomass with Bifunctional Ga/ZSM-5 Catalysts  Angew. Chem. Int. Ed., 124(6), 1416-1419 (2012).  [DOI: 10.1002/ange.201107390External link] [CCEI]
2426.Choudhary, V.; Caratzoulas, S.; and Vlachos, D. G.  Insights into the Isomerization of Xylose to Xylulose and Lyxose by a Lewis Acid Catalyst  Carbohyd. Res., 368, 89-95 (2012).  [DOI: 10.1016/j.carres.2012.12.019External link] [CCEI]
2427.Choudhary, V.; Sandler, S. I.; and Vlachos, D. G.  Conversion of Xylose to Furfural using Lewis and Brønsted Acid Catalysts in Aqueous Media  ACS Catal., 2(9), 2022−2028 (2012).  [DOI: 10.1021/cs300265dExternal link] [CCEI]
2428.Choudhary, V.; Burnett, R.; Vlachos, D. G.; and Sandler, S. I.  Dehydration of Glucose to 5-(Hydroxymethyl)furfural and Anhydroglucose: Thermodynamic Insights  J. Phys. Chem. C, 116, 5116-5120 (2012).  [DOI: 10.1021/jp2113895External link] [CCEI]
2429.Courtney, T. D.; Nikolakis, V.; Mpourmpakis, G.; Chen, J. G.; and Vlachos, D. G.  Liquid-Phase Dehydration of Propylene Glycol Using Solid-Acid Catalysts  Appl. Catal. A: General, 449, 59-68 (2012).  [DOI: 10.1016/j.apcata.2012.09.034External link] [CCEI]
2430.Cychosz, K. A.; Guo, X.; Fan, W.; Cimino, R.; Gor, G. Y.; Tsapatsis, M.; Neimark, A. V.; and Thommes, M.  Characterization of the Pore Structure of Three-Dimensionally Ordered Mesoporous Carbons Using High Resolution Gas Sorption  Langmuir, 28(34), 12647–12654 (2012).  [DOI: 10.1021/la302362hExternal link] [CCEI]
2431.Daoutidis, P.; Marvin, W. A.; Rangarajan, S.; and Torres, A. I.  Engineering Biomass Conversion Processes: A Systems Perspective  AIChE J., 59(1), 3-18 (2012).  [DOI: 10.1002/aic.13978External link] [CCEI]
2432.Do, P. T. M.; McAtee, J. R.; Watson, D. A.; and Lobo, R. F.  Elucidation of Diels−Alder Reaction Network of 2,5-Dimethylfuran and Ethylene on HY Zeolite Catalyst  ACS Catal., 3, 41-46 (2012).  [DOI: 10.1021/cs300673bExternal link] [CCEI]
2433.Do, P. T. M.; Foster, A. J.; Chen, J. G.; and Lobo, R. F.  Bimetallic effects in the hydrodeoxygenation of meta-cresol on gamma-Al2O3 supported Pt–Ni and Pt–Co catalysts  Green Chem., 14, 1388-1397 (2012).  [DOI: 10.1039/c2gc16544aExternal link] [CCEI]
2434.Foster, A.; Do, P. T. M.; and Lobo, R. F.  The Synergy of the Support Acid Function and the Metal Function in the Catalytic Hydrodeoxygenation of m-Cresol  Topics Catal., 55, 118-128 (2012).  [DOI: 10.1007/s11244-012-9781-7External link] [CCEI]
2435.Frenkel, A. I.; Vasic, R.; Dukesz, B.; Li, D.; Chen, M.; Zhang, L.; and Fujita, T.  Thermal properties of nanoporous gold  Phys. Rev. B, 85, 195419 (1-7) (2012).  [DOI: 10.1103/PhysRevB.85.195419External link] [CCEI]
2436.Guo, Na; Caratzoulas, Stavros; Doren, Douglas J.; Sandler, Stanley I.; and Vlachos, Dionisios G.  A Perspective on the Modeling of Biomass Processing  Energy Environ. Sci., 5(5), 6703-6716 (2012).  [DOI: 10.1039/C2EE02663EExternal link] [CCEI]
2437.Hould, N.; Haouas, M.; Nikolakis, V.; Taulelle, F.; and Lobo, R.  Mechanisms of Quick Zeolite Beta Crystallization  Chem. Mater., 24(18), 3621–3632 (2012).  [DOI: 10.1021/cm3020995External link] [CCEI]
2438.Huang, Y.; Deng, F.; Ni, C.; Chen, J. G.; and Vlachos, D. G.  Synthesis of Mesoporous Silica Nanobamboo with Highly Dispersed Tungsten Carbide Nanoparticles  Dalton Trans., 41, 6914-6918 (2012).  [DOI: 10.1039/C2DT30248AExternal link] [CCEI]
2439.Huang, Yulin; Vlachos, Dion G.; and Chen, Jingguang  Synthesis of Rigid and Stable Large-Inner-Diameter Multiwalled Carbon Nanotubes  RSC Adv., 2, 2685-2687 (2012).  [DOI: 10.1039/C2RA01334GExternal link] [CCEI]
2440.Javadekar, A.; Jayakumar, A.; Pujara, R.; Vohs, J. M.; and Gorte, R. J.  Molten silver as a direct carbon fuel cell anode  J. Power Sources, 214, 239–243 (2012).  [DOI: 10.1016/j.jpowsour.2012.04.096External link] [CCEI]
2441.Javadekar, A.; Jayakumar, A.; Gorte, R. J.; Vohs, J. M.; and Buttrey, D. J.  Energy Storage in Electrochemical Cells with Molten Sb Electrodes  J. Am. Chem. Soc., 159(4), A386-A389 (2012).  [DOI: 10.1149/2.050204jesExternal link] [CCEI]
2442.Jayakumar, A.; Javadekar, A.; Gissinger, J.; Vohs, J. M.; Huber, G. W.; and Gorte, R. J.  The stability of direct carbon fuel cells with molten Sb and Sb–Bi alloy anodes  AIChE J., 59(9), 3342-3348 (2012).  [DOI: 10.1002/aic.13965External link] [CCEI]
2443.Kaisare, N. S.; and Vlachos, D. G.  A Review on Microcombustion: Fundamentals, Devices and Applications  Prog. Energy Combust. Sci., 38(3), 321-359 (2012).  [DOI: 10.1016/j.pecs.2012.01.001External link] [CCEI]
2444.Kim, W.-G.; Zhang, X.; Lee, J. S.; Tsapatsis, M.; and Nair, S.  Epitaxially Grown Layered MFI–Bulk MFI Hybrid Zeolitic Materials  ACS Nano, 6(11), 9978–9988 (2012).  [DOI: 10.1021/nn3036254External link] [CCEI]
2445.Krokidas, P. G.; Nikolakis, V.; and Burganos, V. N.  Heating and Sorption Effects on Silicalite-1 Unit Cell Size and Geometry  Microporous Mesoporous Mater., 155, 65–70 (2012).  [DOI: 10.1016/j.micromeso.2011.12.052External link] [CCEI]
2446.Kruger, J. S.; Nikolakis, V.; and Vlachos, D. G.  Carbohydrate dehydration using porous catalysts  Current Opinion Chem. Eng., 1(3), 312-320 (2012).  [DOI: 10.1016/j.coche.2012.06.003External link] [CCEI]
2447.Lew, Christopher M.; Rajabbeigi, Nafiseh; and Tsapatsis, Michael  Tin-Containing Zeolite for the Isomerization of Cellulosic Sugars  Microporous Mesoporous Mater., 153, 55-58 (2012).  [DOI: 10.1016/j.micromeso.2011.12.020External link] [CCEI]
2448.Lew, C. M.; Rajabbeigi, N.; and Tsapatsis, M.  One-Pot Synthesis of 5-(Ethoxymethyl)furfural from Glucose using Sn-BEA and Amberlyst Catalysts  Ind. Eng. Chem. Res., 51(14), 5364-5366 (2012).  [DOI: 10.1021/ie2025536External link] [CCEI]
2449.McManus, J. R.; Yu, W.; Salciccioli, M.; Vlachos, D. G.; Chen, J. G.; and Vohs, J. M.  Biomass-derived oxygenate reforming on Pt(111): A demonstration of surface science using D-glucose and its model surrogate glycolaldehyde  Surf. Sci., 606(23-24), L91–L94 (2012).  [DOI: 10.1016/j.susc.2012.07.002External link] [CCEI]
2450.McManus, J. R.; Salciccioli, M.; Yu, W.; Vlachos, D. G.; Chen, J. G.; and Vohs, J. M.  Correlating the Surface Chemistry of C2 and C3 Aldoses with a C6 Sugar: Reaction of Glucose, Glyceraldehyde, and Glycolaldehyde on Pd(111)  J. Phys. Chem. C, 116(35), 18891–18898 (2012).  [DOI: 10.1021/jp3062509External link] [CCEI]
2451.Mettler, Matthew S; Mushrif, Samir H; Paulsen, Alex D; Javadekar, Ashay; Vlachos, Dion G.; and Dauenhauer, Paul J  Revealing Pyrolysis Chemistry for Biofuels Production: Conversion of Cellulose to Furans and Small Oxygenates  Energy Environ. Sci., 5, 5414-5424 (2012).  [DOI: 10.1039/C1EE02743CExternal link] [CCEI]
2452.Mettler, M. S.; Paulsen, A. D.; Vlachos, D. G.; and Dauenhauer, P. J.  Pyrolytic Conversion of Cellulose to Fuels: Levoglucosan Deoxygenation via Elimination and Cyclization within Molten Biomass  Energy Environ. Sci., 5, 7864-7868 (2012).  [DOI: 10.1039/C2EE21305BExternal link] [CCEI]
2453.Mettler, M. S.; Vlachos, D. G.; and Dauenhauer, P. J.  Top Ten Fundamental Challenges of Biomass Pyrolysis for Biofuels  Energy Environ. Sci., 5(7), 7797-7809 (2012).  [DOI: 10.1039/c2ee21679eExternal link] [CCEI]
2454.Mettler, M. S.; Paulsen, A. D.; Vlachos, D. G.; and Dauenhauer, P. J.  The Chain Length Effect in Pyrolysis: Bridging the Gap Between Glucose and Cellulose  Green Chem., 14, 1284-1288 (2012).  [DOI: 10.1039/C2GC35184FExternal link] [CCEI]
2455.Mushrif, S. H.; Caratzoulas, S.; and Vlachos, D. G.  Understanding Solvent Effects in the Selective Conversion of Fructose to 5-Hydroxymethyl-Furfural: A Molecular Dynamics Investigation  Phys. Chem. Chem. Phys., 14, 2637-2644 (2012).  [DOI: 10.1039/C2CP22694DExternal link] [CCEI]
2456.Nikbin, N.; Do, P. T.; Caratzoulas, S.; Lobo, R. F.; Dauenhauer, P. J.; and Vlachos, D. G.  A DFT study of the acid-catalysed conversion of 2,5-dimethylfuran and ethylene to p-xylene  J. Catal., 297, 35-43 (2012).  [DOI: 10.1016/j.jcat.2012.09.017External link] [CCEI]
2457.Nikbin, N.; Caratzoulas, S.; and Vlachos, D. G.  A First-Principles-Based Microkinetic Model for the Conversion of Fructose to 5-Hydroxymethylfurfural in Aqueous Phase  ChemCatChem, 4(4), 504–511 (2012).  [DOI: 10.1002/cctc.201100444External link] [CCEI]
2458.Nikolakis, V.; Mushrif, S. H.; Herbert, B.; Booksh, K. S.; and Vlachos, D. G.  Fructose-Water-Dimethylsulfoxide Interactions by Vibrational Spectroscopy and Molecular Dynamics Simulations  J. Phys. Chem. B, 116(36), 11274–11283 (2012).  [DOI: 10.1021/jp3056703External link] [CCEI]
2459.Olcay, H.; Subrahmanyam, A. V.; Xing, R.; Lajoie, J.; Dumesic, J. A.; and Huber, G. W.  Production of renewable petroleum refinery diesel and jet fuel feedstocks from hemicellulose sugar streams  Energy Environ. Sci., 6, 205-216 (2012).  [DOI: 10.1039/C2EE23316AExternal link] [CCEI]
2460.Rajabbeigi, N.; Ranjan, R.; and Tsapatsis, M.  Selective Adsorption of HMF on Porous Carbons from Fructose/DMSO Mixtures  Micr. Meso. Mat., 158(1), 253-256 (2012).  [DOI: 10.1016/j.micromeso.2012.03.047External link] [CCEI]
2461.Rangarajan, S.; Bhan, A.; and Daoutidis, P.  Language-oriented rule-based reaction network generation and analysis: Applications of RING  Comput. Chem. Eng., 46, 141–152 (2012).  [DOI: 10.1016/j.compchemeng.2012.06.003External link] [CCEI]
2462.Rangarajan, S.; Bhan, A.; and Daoutidis, P.  Language-oriented rule-based reaction network generation and analysis: Description of RING  Comput. Chem. Eng., 45, 114-123 (2012).  [DOI: 10.1016/j.compchemeng.2012.06.008External link] [CCEI]
2463.Roy, S.; Mpourmpakis, G.; Hong, D.-Y.; Vlachos, D. G.; Bhan, A.; and Gorte, R. J.  Mechanistic Study of Alcohol Dehydration on γ-Al2O3  ACS Catal., 2(9), 1846–1853 (2012).  [DOI: 10.1021/cs300176dExternal link] [CCEI]
2464.Salciccioli, M.; Edie, S. M.; and Vlachos, D. G.  Adsorption of Acid, Ester, and Ether Functional Groups on Pt: Fast Prediction of Thermochemical Properties of Adsorbed Oxygenates Via Dft-Based Group Additivity Methods  J. Phys. Chem C, 116, 1873-1886 (2012).  [DOI: 10.1021/jp2091413External link] [CCEI]
2465.Salciccioli, M.; and Vlachos, D. G.  Kinetic modeling of Pt-catalyzed glycolaldehyde decomposition to syngas  J. Phys. Chem. A, 116(18), 4621-4628 (2012).  [DOI: 10.1021/jp3017216External link] [CCEI]
2466.Seshadri, V.; and Westmoreland, P. R.  Concerted reactions and mechanism of glucose pyrolysis and implications for cellulose kinetics  J. Phys. Chem. A, 116(49), 11997–12013 (2012).  [DOI: 10.1021/jp3085099External link] [CCEI]
2467.Torres, A. I.; Tsapatsis, M.; and Daoutidis, P.  Biomass to chemicals: Design of an extractive-reaction process for the production of 5-hydroxymethylfurfural  Comp. Chem Eng., 42, 130-137 (2012).  [DOI: 10.1016/j.compchemeng.2011.12.013External link] [CCEI]
2468.Triebl, C.; Nikolakis, V.; and Ierapetritou, M.  Simulation and Economic Analysis of 5-Hydroxymethylfurfural Conversion to 2,5-Furandicarboxylic Acid  Comput. Chem. Eng., 52, 26-34 (2012).  [DOI: 10.1016/j.compchemeng.2012.12.005External link] [CCEI]
2469.Tupy, S. A.; Karim, A. M.; Bagia, C.; Deng, W.; Huang, Y.; Vlachos, D. G.; and Chen, J. G.  Correlating ethylene glycol reforming activity with in-situ EXAFS detection of Ni segregation in supported NiPt bimetallic catalysts  ACS Catal., 2, 2290–2296 (2012).  [DOI: 10.1021/cs3004227External link] [CCEI]
2470.Vlachos, D. G.  Multiscale modeling for emergent behavior, complexity, and combinatorial explosion  AIChE J., 58(5), 1314-1325 (2012).  [DOI: 10.1002/aic.13803External link] [CCEI]
2471.Vohs, J. M.  Site Requirements for the Adsorption and Reaction of Oxygenates on Metal Oxide Surfaces  Chem. Rev., 113(6), 4136-4163 (2012).  [DOI: 10.1021/cr300328uExternal link] [CCEI]
2472.Vorotnikov, V.; Mpourmpakis, G.; and Vlachos, D. G.  A DFT study of furfural conversion to furan, furfuryl alcohol, and 2-methylfuran on Pd(111)  ACS Catal., 2, 2496−2504 (2012).  [DOI: 10.1021/cs300395aExternal link] [CCEI]
2473.Williams, C. L.; Chang, C.- C.; Do, P.; Nikbin, N.; Caratzoulas, S.; Vlachos, D. G.; Lobo, R. F.; Fan, W.; and Dauenhauer, P. J.  Cycloaddition of Biomass-derived Furans for Catalytic Production of p-Xylene  ACS Catal., 2, 935-939 (2012).  [DOI: 10.1021/cs300011aExternal link] [CCEI]
2474.Xiong, R.; Sandler, S. I.; and Vlachos, D. G.  Molecular Screening of Alcohol and Polyol Adsorption onto MFI-type Zeolites  Langmuir, 28, 4491-4499 (2012).  [DOI: 10.1021/la204710jExternal link] [CCEI]
2475.Yan, W.; Vasic, R.; Frenkel, A.; and Koel, B. E.  Intraparticle Reduction of Arsenite (As(III)) by Nanoscale Zerovalent Iron (nZVI) Investigated with In Situ X-ray Absorption Spectroscopy  Environ. Sci. Tech., 46, 7018-7026 (2012).  [DOI: 10.1021/es2039695External link] [CCEI]
2476.Yang, L.; Ahmed, A.; and Sandler, S. I.  Comparison of Two Simulation Methods to Compute Solvation Free Energies and Partition Coefficients  J. Comput. Chem., 34, 284-293 (2012).  [DOI: 10.1002/jcc.23127External link] [CCEI]
2477.Yang, Xiaofang; Kimmel, Yannick C.; Fu, Jie; Koel, Bruce E.; and Chen, Jingguang G.  Activation of tungsten carbide catalysts by use of an oxygen plasma pretreatment  ACS Catal., 2, 765-769 (2012).  [DOI: 10.1021/cs300081tExternal link] [CCEI]
2478.Yu, W.; Porosoff, M. D.; and Chen, J. G.  A Review of Pt-based Bimetallic Catalysis: From Model Surfaces to Supported Catalysts  Chem. Rev., 112(11), 5780-5817 (2012).  [DOI: 10.1021/cr300096bExternal link] [CCEI]
2479.Yu, W.; Mellinger, Z. J.; Barteau, M. A.; and Chen, J. G.  Comparison of Reaction Pathways of Ethylene Glycol, Acetaldehyde and Acetic Acid on Tungsten Carbide (WC) and Ni-modified WC Surfaces  J. Phys. Chem. C, 116(9), 5720-5729 (2012).  [DOI: 10.1021/jp210756fExternal link] [CCEI]
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