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.

4001.Shuttle, Christopher G.; Treat, Neil D.; Fan, Jian; Varotto, Alessandro; Hawker, Craig J.; Wudl, Fred; and Chabinyc, Michael L.  In situ current voltage measurements for optimization of a novel fullerene acceptor in bulk heterojunction photovoltaics  Polymer Physics, , (2011).  [DOI: 10.1002/polb.22388External link] [CEEM]
4002.Simeonov, D.; Tsai, M. Y.; Chen, H. T.; Weisbuch, C.; and Speck, J. S.  Bonding of nitride based LEDs on tin oxide templates for advanced optoelectronic devices  Electron. Lett., 47, 556-8 (2011).  [DOI: 10.1049/el.2011.0514External link] [CEEM]
4003.Steirer, K. Xerxes; Ndione, Paul F.; Widjonarko, N. Edwin; Lloyd, Matthew T.; Meyer, Jens; Ratcliff, Erin L.; Kahn, Antoine; Armstrong, Neal R.; Curtis, Calvin J.; Ginley, David S.; Berry, Joseph J.; and Olson, Dana C.  Enhanced Efficiency in Plastic Solar Cells via Energy Matched Solution Processed NiOx Interlayers  Advanced Energy Materials, 1, 813–820 (2011).  [DOI: 10.1002/aenm.201100234External link] [CEEM]
4004.Street, R. A.; Song, K. W.; Northrup, J. E.; and Cowan, S.  Photoconductivity measurements of the electronic structure of organic solar cells  Physical Review B, 83, (2011).  [DOI: 10.1103/PhysRevB.83.165207External link] [CEEM]
4005.Street, R. A.; Song, K. W.; and Cowan, S.  Influence of series resistance on the photocurrent analysis of organic solar cells  Organic Electronics, 12, 244-248 (2011).  [DOI: 10.1016/J.Orgel.2010.11.012External link] [CEEM]
4006.Sun, Yanming; Welch, Gregory C; Leong, Wei Lin ; Takacs, Christopher J.; Bazan, Guillermo C.; and Heeger, Alan  Solution-processed small-molecule solar cells with 6.7% efficiency  Nature Materials, , (2011).  [DOI: 10.1038/nmat3160External link] [CEEM]
4007.Sun, Xiaohong; Shi, Yifeng; Zhang, Peng; Zheng, Chunming; Zheng, Xinyue; Zhang, Fan; Zhang, Yichi; Guan, Naijia; Zhao, Dongyuan; and Stucky, Galen D.  Container Effect in Nanocasting Synthesis of Mesoporous Metal Oxides  Journal of the American Chemical Society, 133, 14542–14545 (2011).  [DOI: 10.1021/ja2060512External link] [CEEM]
4008.Sun, Yanming; Takacs, Christopher J.; Cowan, Sarah; Seo, Jung Hwa; Gong, Xiong; Roy, Anshuman; and Heeger, Alan  Efficient, Air-Stable Bulk Heterojunction Polymer Solar Cells Using MoOx as the Anode Interfacial Layer  Adv. Mater., 23, 2226-2230 (2011).  [DOI: 10.1002/adma.201100038External link] [CEEM]
4009.Sztein, Alexander; Ohta, Hiroaki; Bowers, John E.; DenBaars, Steven; and Nakamura, Shuji  High temperature thermoelectric properties of optimized InGaN  Journal of Applied Physics, 110, 123709-1 - 123709-6 (2011).  [DOI: 10.1063/1.3670966External link] [CEEM]
4010.Treat, Neil D.; Shuttle, Christopher G.; Toney, Michael F.; Hawker, Craig J.; and Chabinyc, Michael L.  In situ measurement of power conversion efficiency and molecular ordering during thermal annealing in P3HT:PCBM bulk heterojunction solar cells  Journal of Materials Chemistry, 21, 15224–15231 (2011).  [DOI: 10.1039/c1jm12677fExternal link] [CEEM]
4011.Varotto, Alessandro; Treat, Neil D.; Jo, Jang; Shuttle, Christopher G.; Batara, Nicolas A.; Brunetti, Fulvio G.; Seo, Jung Hwa; Chabinyc, Michael L.; Hawker, Craig J.; Heeger, Alan; and Wudl, Fred  1,4-Fullerene Derivatives: Tuning the Properties of the Electron Transporting Layer in Bulk-Heterojunction Solar Cells  Angew. Chem. Int. Ed., 50, 5166–5169 (2011).  [DOI: 10.1002/anie.201100029External link] [CEEM]
4012.Walker, Bright; Tamayo, A.; Duong, D. T.; Dang, Xuan-Dung; Kim, C,; Granstrom, J.; and Nguyen, Thuc-Quyen  A Systematic Approach to Solvent Selection Based on Cohesive Energy Densities in a Molecular Bulk Heterojunction System  Advanced Energy Materials, 1, 221-229 (2011).  [DOI: 10.1002/aenm.201000054External link] [CEEM]
4013.Welch, Gregory C; Perez, Louis A.; Hoven, Corey V.; Zhang, Yuan; Dang, Xuan-Dung; Sharenko, Alexander; Toney, Michael F.; Kramer, Edward J.; Nguyen, Thuc-Quyen; and Bazan, Guillermo C.  A modular molecular framework for utility in small-molecule solution-processed organic photovoltaic devices   Journal of Materials Chemistry, 21, 12700-12709 (2011).  [DOI: 10.1039/C1JM11963JExternal link] [CEEM]
4014.Yazawa, Kazuaki; and Shakouri, Ali  Cost-Efficiency Trade-off and the Design of Thermoelectric Power Generators  Environ. Sci. Technol, 45, 7548–7553 (2011).  [DOI: 10.1021/es2005418External link] [CEEM]
4015.Ying, L.; Hsu, B. B. Y.; Zhan, H. M.; Welch, G. C.; Zalar, P.; Perez, L. A.; Kramer, E. J.; Nguyen, T. Q.; Heeger, A. J.; Wong, W. Y.; and Bazan, G. C.  Regioregular Pyridal[2,1,3]thiadiazole pi-Conjugated Copolymers  Journal of the American Chemical Society, 133, 18538-18541 (2011).  [DOI: 10.1021/Ja207543gExternal link] [CEEM]
4016.Yuen, J. D.; Fan, J.; Seifter, J.; Lim, B.; Hufschmid, R.; Heeger, A. J.; and Wudl, F.  High Performance Weak Donor-Acceptor Polymers in Thin Film Transistors: Effect of the Acceptor on Electronic Properties, Ambipolar Conductivity, Mobility, and Thermal Stability  Journal of the American Chemical Society, 133, 20799-20807 (2011).  [DOI: 10.1021/Ja205566wExternal link] [CEEM]
4017.Yuen, J. D.; Kumar, R.; Zakhidov, D.; Seifter, J.; Lim, B.; Heeger, A. J.; and Wudl, F.  Ambipolarity in Benzobisthiadiazole-Based Donor-Acceptor Conjugated Polymers  Advanced Materials, 23, 3780-3785 (2011).  [DOI: 10.1002/Adma.201101134External link] [CEEM]
4018.Zhang, Yuan; Dang, Xuan-Dung; Kim, Chunki; and Nguyen, Thuc-Quyen  Effect of Charge Recombination on the Fill Factor of Small Molecule Bulk Heterojunction Solar Cells  Advanced Energy Materials, 1, 610-617 (2011).  [DOI: 10.1002/aenm.201100040External link] [CEEM]
4019.Zhang, Yichi; Wang, Heng; Kraemer, Stephan; Shi, Yifeng; Zhang, Fan; Snedaker, Matt; Ding, Kunlun; Moskovits, Martin; Snyder, G. Jeffrey; and Stucky, Galen D.  Surfactant-Free Synthesis of Bi2Te3−Te Micro−Nano Heterostructure with Enhanced Thermoelectric Figure of Merit  ACS Nano, 5, 3158–3165 (2011).  [DOI: 10.1021/nn2002294External link] [CEEM]
4020.Alaboson, Justice M. P. ; Wang, Qing Hua; Emery, J.D.; Lipson, Albert L; Bedzyk, M.J.; Elam, Jeffrey W.; Pellin, Michael J.; and Hersam, Mark C.  Seeding Atomic Layer Deposition of High-k Dielectrics on Epitaxial Graphene with Organic Self-assembled Monolayers  ACS Nano., 5, 5223-5232 (2011).  [DOI: 10.1021/nn201414dExternal link] [CEES]
4021.Chan, Maria K. Y.; Long, Brandon R.; Gewirth, Andrew A.; and Greeley, Jeffrey P  The First-cycle Electrochemical Lithiation of Crystalline Ge – Dopant and Orientation Dependence, and Comparison with Si  J. Phys. Chem. Lett., 2, 3092 (2011).  [DOI: 10.1021/jz201432dExternal link] [CEES]
4022.Chan, Maria K. Y.; Shirley, Eric L. ; Karan, Naba K; Balasubramanian, M.; Greeley, Jeffrey P; and Fister, T. T.  Structure of lithium peroxide  J. Phys. Chem. Lett., 2, 2483–2486 (2011).  [DOI: 10.1021/jz201072bExternal link] [CEES]
4023.Elam, Jeffrey W.; Dasgupta, Neil P.; and Prinz, Fritz B.  ALD for Clean Energy Conversion, Utilization, and Storage  MRS Bull, 36, (2011).  [DOI: 10.1557/mrs.2011.265External link] [CEES]
4024.Emery, J.D.; Wang, Qing Hua; Zarrouati, Marie; Fenter, Paul; Hersam, Mark C.; and Bedzyk, M.J.  Structural Analysis of PTCDA Monolayers on Epitaxial Graphene with Ultra-high Vacuum Scanning Tunneling Microscopy and High-resolution X-ray Reflectivity  Surf. Sci., 605, 1685-1693 (2011).  [DOI: 10.1016/j.susc.2010.11.008External link] [CEES]
4025.Esser-Kahn, Aaron P; Odom, Susan A.; Sottos, Nancy R.; White, Scott R.; and Moore, Jeffrey S.  Triggered Release of Encapsulated Contents  Macromolecules, 44, 5539-5553 (2011).  [DOI: 10.1021/ma201014nExternal link] [CEES]
4026.Fister, T. T.; Schmidt, Moritz; Johnson, Christopher S.; Slater, Michael D.; Shirley, Eric L. ; Chan, Maria K. Y.; and Fenter, Paul  Electronic structures of lithium battery interphase compounds: comparison between inelastic x-ray scattering measurements and theory  J. Chem. Phys., 135, 224513 (2011).  [DOI: 10.1063/1.3664620External link] [CEES]
4027.Goldman, Jason L.; Long, Brandon R.; Gewirth, Andrew A.; and Nuzzo, Ralph G  Strain Anisotropies and Self-limiting Capacities in Single-crystalline 3D Silicon Microstructures: Models for High Energy Denisty Lithium-Ion Battery Anodes  Adv. Funct. Mater., 21, 2412-2422 (2011).  [DOI: 10.1002/adfm.201002487External link] [CEES]
4028.Lau, Kah Chun; Curtiss, Larry A; and Greeley, Jeffrey P  Density functional investigation of the thermodynamic stability of lithium oxide bulk crystalline structures as a function of oxygen pressure  J. Phys. Chem. C, 115, 23625–23633 (2011).  [DOI: 10.1021/jp206796hExternal link] [CEES]
4029.Lipson, Albert L; Ginder, Ryan S.; and Hersam, Mark C.  Nanoscale in situ Characterization of Li-ion Battery Electrochemistry via Scanning Ion Conductance Microscopy  Adv. Mater., 23, 5613-5617 (2011).  [DOI: 10.1002/adma.201103094External link] [CEES]
4030.Long, Brandon R.; Chan, Maria K. Y.; Greeley, Jeffrey P; and Gewirth, Andrew A.  Dopant Modulated Li Insertion in Si for Battery Anodes  J. Phys. Chem. C, 115, 18916-18921 (2011).  [DOI: 10.1021/jp2060602External link] [CEES]
4031.Shin, D.; Wolverton, Christopher; Croy, J. R.; Balasubramanian, M.; Kang, Sun-Ho; Lopez Rivera, C. M.; and Thackeray, Michael  First-Principles Calculations, Electrochemical and X-ray Absorption Studies of Li-Ni-PO4 Surface-Treated xLi2MnO3·(1−x)LiMO2 (M = Mn, Ni, Co) Electrodes for Li-Ion Batteries  J. Electrochem. Soc., 159, A121-A127 (2011).  [DOI: 10.1149/2.098202jesExternal link] [CEES]
4032.Trahey, Lynn; Kung, Harold H; Thackeray, Michael; and Vaughey, John T.  Effect of Electrode Dimensionality and Morphology on the Performance of Cu2Sb Thin Film Electrodes for Li-Ion Batteries  Eur. J. Inorg. Chem., 2011, 3984-3988 (2011).  [DOI: 10.1002/ejic.201100329External link] [CEES]
4033.Weng, Wei; Zhang, Zhengcheng; Lu, Jun; and Amine, Khalil  A disiloxane-functionalized phosphonium-based ionic liquid as electrolyte  Chem. Commun., 47, 11969-11971 (2011).  [DOI: 10.1039/c1cc15331eExternal link] [CEES]
4034.Zhao, Xin; Hayner, Cary M.; Kung, Mayfair C; and Kung, Harold H  In-plane vacancy-enabled high-power Si-graphene composite electrode for lithium-ion batteries  Adv. Energy Mat., 1, 1079–1084 (2011).  [DOI: 10.1002/aenm.201100426External link] [CEES]
4035.Zhao, Xin; Hayner, Cary M.; Kung, Mayfair C; and Kung, Harold H  Flexible holey graphene paper electrodes with enhanced rate capability for energy storage applications  ACS Nano, 5, 8739–8749 (2011).  [DOI: 10.1021/nn202710sExternal link] [CEES]
4036.Zhao, Xin; Hayner, Cary M.; and Kung, Harold H  Self-assembled lithium manganese oxide and carbon nanotube/graphene composites as cathode material for high-performance lithium-ion batteries  J. Mater. Chem., 21, 17297–17303 (2011).  [DOI: 10.1039/c1jm12373dExternal link] [CEES]
4037.Alecu, I. M.; and Truhlar, D. G.  Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 2. Accurate Thermal Rate Constants  Journal of Physical Chemistry A, 115, 14599-14611 (2011).  [DOI: 10.1021/jp209029pExternal link] [CEFRC]
4038.Alecu, I. M.; and Truhlar, D. G.  Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. Part I: Accurate Thermochemistry and Barrier Heights  J. Phys. Chem. A, 115, 2811-2829 (2011).  [DOI: 10.1021/jp110024eExternal link] [CEFRC]
4039.Allen, C.; Mittal, G.; Sung, C. J.; Toulson, E.; and Lee, T.  An Aerosol Rapid Compression Machine for Studying Energetic-Nanoparticle-Enhanced Combustion of Liquid Fuels  Int. J. Chem. Kinet., 33, 3367-3374 (2011).  [DOI: 10.1016/j.proci.2010.06.007External link] [CEFRC]
4040.Burke, M. P.; Dryer, F. L. ; and Ju, Yiguang  Assessment of Kinetic Modeling for Lean H2/CH4/O2/Diluent Flames at High Pressures  Proceedings of the Combustion Institute, 33, 905-912 (2011).  [DOI: 10.1016/j.proci.2010.05.021External link] [CEFRC]
4041.Chaudhuri, S.; Akkerman, V.; and Law, C. K.  Spectral formulation of turbulent flame speed with consideration of hydrodynamic instability  Physical Review E, 84, (2011).  [DOI: 10.1103/PhysRevE.84.026322External link] [CEFRC]
4042.Chen, Zheng; Burke, M. P.; and Ju, Yiguang  On the critical flame radius and minimum ignition energy for spherical flame initiation  Proc. Combust. Inst., 33, 1219–1226 (2011).  [DOI: 10.1016/j.proci.2010.05.005External link] [CEFRC]
4043.Das, A. K.; Kumar, K.; Zhang, Z.; and Sung, C. J.  Laminar Flame Speeds of Moist Syngas Mixtures  Combust. Flame, 158, 345-353 (2011).  [DOI: 10.1016/j.combustflame.2010.09.004External link] [CEFRC]
4044.Dooley, S.; Dryer, F. L. ; Yang, B.; Wang, J.; Cool, T. A.; Kasper, T.; and Hansen, N.  An Experimental and Kinetic Modeling Study of Methyl Formate Low-Pressure Flames  Combust. Flame, 158, 732-741 (2011).  [DOI: 10.1016/j.combustflame.2010.11.003External link] [CEFRC]
4045.Goldsmith, C. F.; Klippenstein, S. J.; and Green, W. H.  Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition  Proc. Combust. Inst., 33, 273-282 (2011).  [DOI: 10.1016/j.proci.2010.05.054External link] [CEFRC]
4046.Haas, F. M.; Ramcharan, A. M..; and Dryer, F. L.  Relative Reactivities of the Isomeric Butanols and Ethanol in an Ignition Quality Tester  Energy Fuels, 25, 3909-3916 (2011).  [DOI: 10.1021/ef2008024External link] [CEFRC]
4047.Hansen, N.; Harper, M. R.; and Green, W. H.  High-temperature oxidation chemistry of n-butanol – experiments in low-pressure premixed flames and detailed kinetic modeling   Phys. Chem. Chem. Phys., 13, 20262–20274 (2011).  [DOI: 10.1039/c1cp21663eExternal link] [CEFRC]
4048.Harper, M. R.; Van Geem, K. M.; Pyl, S. P.; Marin, G. B.; and Green, W. H.  Comprehensive Reaction Mechanism for n-Butanol Pyrolysis and Combustion  Combust. Flame, 158, 16-41 (2011).  [DOI: 10.1016/j.combustflame.2011.02.023External link] [CEFRC]
4049.Ju, Yiguang; Sun, Wenting; Burke, M. P.; Gou, Xiaolong; and Chen, Zheng  Multi-timescale modeling of ignition and flame regimes of n-heptane-air mixtures near spark assisted homogeneous charge compression ignition conditions  Proc. Combust. Inst., 33, 1245–1251 (2011).  [DOI: 10.1016/j.proci.2010.06.110External link] [CEFRC]
4050.Kasper, T.; Lucassen, A.; Jasper, A. W.; Li, W.; Westmoreland, P. R.; Kohse-Hoinghaus, K.; Yang, B.; Wang, J.; Cool, T. A.; and Hansen, N.  Identification of Tetrahydrofuran Reaction Pathways in Premixed Flames  Z. Phys. Chem., 225, 1237-1270 (2011).  [DOI: 10.1524/zpch.2011.0163External link] [CEFRC]
4051.Kumar, K.; and Sung, C. J.  Autoignition of Methanol: Experiments and Computations  Proc. Combust. Inst., 43, 175-184 (2011).  [DOI: 10.1002/kin.20546External link] [CEFRC]
4052.Li, T. X.; Zhu, D. L.; Akafuah, N.; Saito, K.; and Law, C. K.  Synthesis, droplet combustion, and sooting characteristics of biodiesel produced from waste vegetable oils  Proc. Combust. Inst., 33, 2039-2046 (2011).  [DOI: 10.1016/j.proci.2010.07.044External link] [CEFRC]
4053.Lu, Wei; Kelley, A. P.; and Law, C. K.  Nonpremixed ignition, laminar flame propagation, and mechanism reduction of n-butanol, iso-butanol, and methyl butanoate  Proc. Combust. Inst., 33, 995-1002 (2011).  [DOI: 10.1016/j.proci.2010.05.084External link] [CEFRC]
4054.Meana-Paneda, R.; Truhlar, D. G.; and Fernandez-Ramos, A.  High-Level Direct-Dynamics Variational Transition State Theory Calculations Including Multidimensional Tunneling of the Thermal Rate Constants, Branching Ratios, and Kinetic Isotope Effects of the Hydrogen Abstraction Reactions from Methanol by Atomic Hyd  Journal of Chemical Physics, 134, (2011).  [DOI: 10.1063/1.3555763External link] [CEFRC]
4055.Memarzadeh, Saro; Tomachoff, Erik D,; Phares, Denis J.; and Wang, Hai  Properties of nanocrystalline TiO2 synthesized in premixed flames stabilized on a rotating surface  Proc. Combust. Inst., 33, 1917-1924 (2011).  [DOI: 10.1016/j.proci.2010.05.065External link] [CEFRC]
4056.Oyeyemi, V. B.; Pavone, Michele; and Carter, Emily A  Accurate Bond Energies of Hydrocarbons from Complete Basis Set Extrapolated Multi-Reference Singles and Doubles Configuration Interaction  ChemPhysChem, 12, 3354-3364 (2011).  [DOI: 10.1002/cphc.201100447External link] [CEFRC]
4057.Park, O.; Veloo, Peter S.; Liu, N.; and Egolfopoulos, Fokion N.  Combustion characteristics of alternative gaseous fuels  Proc. Combust. Inst, 33, 887-894 (2011).  [DOI: 10.1016/j.proci.2010.06.116External link] [CEFRC]
4058.Sheen, David; and Wang, Hai  The method of uncertainty quantification and minimization using polynomial chaos expansions  Combustion and Flame, 158, 2358–2374 (2011).  [DOI: 10.1016/j.combustflame.2011.05.010External link] [CEFRC]
4059.Sheen, David; and Wang, Hai  Combustion kinetic modeling using multispecies time histories in shock-tube oxidation of heptane  Combust. Flame, 158, 645-656 (2011).  [DOI: 10.1016/j.combustflame.2010.12.016External link] [CEFRC]
4060.Shi, Y.; Green, W. H.; Wong, H. W.; and Oluwole, O. O.  Redesigning combustion modelingnext term algorithms for the Graphics Processing Unit (GPU): Chemical kinetic rate evaluation and ordinary differential equation integration   Combust. Flame, 158, 836-847 (2011).  [DOI: 10.1016/j.combustflame.2011.01.024External link] [CEFRC]
4061.Tang, C. K.; Huang, Z. H.; and Law, C. K.  Determination, correlation, and mechanistic interpretation of effects of hydrogen addition on laminar flame speeds of hydrocarbon–air mixtures  Proc. Combust. Inst., 33, 921-928 (2011).  [DOI: 10.1016/j.proci.2010.05.039External link] [CEFRC]
4062.Tomachoff, Erik D,; Memarzadeh, Saro; and Wang, Hai  Nanoporous titania gas sensing films prepared in a premixed stagnation flame  Journal of Physical Chemistry, 115, 21620-21628 (2011).  [DOI: 10.1021/jp206061hExternal link] [CEFRC]
4063.Vasu, Subith; Huynh, Lam; Davidson, David F.; Hanson, Ronald K.; and Golden, David  Reactions of OH with Butene Isomers: Measurements of the Overall Rates and a Theoretical Study  J. Phys. Chem. A, 115, 2549-2556 (2011).  [DOI: 10.1021/jp112294hExternal link] [CEFRC]
4064.Veloo, Peter S.; and Egolfopoulos, Fokion N.  Studies of n-Propanol, iso-Propanol, and Propane Flames  Combust. Flame, 158, 501-510 (2011).  [DOI:External link] [CEFRC]
4065.Veloo, Peter S.; and Egolfopoulos, Fokion N.  Flame Propagation of Butanol Isomers/Air Mixtures  Proc. Combust. Inst, 33, 987-993 (2011).  [DOI:External link] [CEFRC]
4066.Wang, Y. L.; Feng, Q.; Egolfopoulos, Fokion N.; and Tsotsis, T. T.  Studies of C4 and C10 methyl ester flames  Combustion and Flame, 158, 1507-1519 (2011).  [DOI:External link] [CEFRC]
4067.Wang, Hai  Formation of nascent soot and other condensed-phase materials in flames  Proc. Combust. Inst., 33, 41-67 (2011).  [DOI: 10.1016/j.proci.2010.09.009External link] [CEFRC]
4068.Wang, Haifeng; and Pope, Stephen B.  Large Eddy Simulation/Probability Density Function Modeling of a Turbulent CH4/H2/N2 Jet Flame  Proc. Combust. Inst., 33, 1319-1330 (2011).  [DOI: 10.1016/j.proci.2010.08.004External link] [CEFRC]
4069.Wang, Y. L.; Veloo, Peter S.; Egolfopoulos, Fokion N.; and Tsotsis, T. T.  A comparative study on the extinction characteristics of non-premixed dimethyl ether and ethanol flames  Proc. Combust. Inst, 33, 1003-1010 (2011).  [DOI: 10.1016/j.proci.2010.06.157External link] [CEFRC]
4070.Weber, B. W.; Kumar, K.; Zhang, Z.; and Sung, C. J.  Autoignition of n-Butanol at Elevated Pressure and Low to Intermediate Temperature  Combust. Flame, 158, 809-819 (2011).  [DOI: 10.1016/j.combustflame.2011.02.005External link] [CEFRC]
4071.Won, Sang Hee; Dooley, S.; Dryer, F. L. ; and Ju, Yiguang  Kinetic Effects of Aromatic Molecular Structures on Diffusion Flame Extinction  Proc. Combust. Inst., 33, 1163-1170 (2011).  [DOI: 10.1016.j.proci.2010.05.082External link] [CEFRC]
4072.Wu, F. J.; Kelley, A. P.; Tang, C. L.; Zhu, D. L.; and Law, C. K.  Measurements and correlation of laminar flame speeds of CO and C2-hydrocarbons with hydrogen addition at atmospheric and elevated pressures  International Journal of Hydrogen Energy, 36, 13171-13180 (2011).  [DOI: 10.1016/j.ijhydene.2011.07.021External link] [CEFRC]
4073.Xu, X.; Alecu, I. M.; and Truhlar, D. G.  How Well Can Modern Density Functionals Predict Intermolecular Distances at Transition State?  Journal of Chemical Theory and Computation, 7, 1667-1676, 2011 (2011).  [DOI: 10.1021/ct2001057External link] [CEFRC]
4074.Yang, B. ; Westbrook, Charles K.; Cool, T. A.; Hansen, N.; and Kohse-Hoinghaus, K.  The Effect of Carbon-Carbon Double Bonds on the Combustion Chemistry of Small Fatty Acid Esters  Z. Phys. Chem., 225, 1293-1314 (2011).  [DOI: 10.1524/zpch.2011.0167External link] [CEFRC]
4075.Yang, B.; Cool, T. A.; Westbrook, Charles K.; Hansen, N.; and Kohse-Hoinghaus, K.  Fuel-Specific Influences on the Composition of Reaction Intermediates in Premixed Flames of Three C5H10O2 Ester Isomers  Phys. Chem. Chem. Phys., 13, 6901-6913 (2011).  [DOI: 10.1039/c0cp02065fExternal link] [CEFRC]
4076.Yoo, C. S.; Lu, T. F.; Chen, J. H.; and Law, C. K.  Direct numerical simulations of ignition of a lean n-heptane/air mixture with temperature inhomogeneities at constant volume: Parametric study  Combustion and Flame, 158, 1727-1741 (2011).  [DOI: 10.1016/j.combustflame.2011.01.025External link] [CEFRC]
4077.Yoo, C. S.; Richardson, E.; Sankaran, R.; and Chen, J. H.  A DNS study on the stabilization mechanism of a turbulent lifted ethylene jet flame in highly-heated coflow  Proc. Combust. Inst., 33, 1619-1627 (2011).  [DOI: 10.1016/j.proci.2010.06.147External link] [CEFRC]
4078.Yu, T.; Zheng, J.; and Truhlar, D. G.  Multi-Structural Variational Transition State Theory. Kinetics of the 1,4-Hydrogen Shift Isomerization of the Pentyl Radical with Torsional Anharmonicity  Chemical Science, 2, 2199-2213 (2011).  [DOI: 10.1039/C1SC00225BExternal link] [CEFRC]
4079.Zhang, H.; Fan, R.; Wang, S.; Tian, X.; Xu, K.; Wan, S.; and Egolfopoulos, Fokion N.  Extinction of Lean Near-Limit Methane/Air Flames at Elevated Pressures under Normal- and Micro-Gravity  Proc. Combust. Inst, 33, 1171-1178 (2011).  [DOI: 10.1016/j.proci.2010.06.027External link] [CEFRC]
4080.Zhang, P.; Klippenstein, S. J.; Sun, Hongyan; and Law, C. K.  Ab initio kinetics for the decomposition of monomethylhydrazine (CH3NHNH2)  Proc. Combust. Inst., 33, 425-432 (2011).  [DOI: 10.1016/j.proci.2010.05.010External link] [CEFRC]
4081.Zhang, P.; and Law, C. K.  A fitting formula for the falloff curves of unimolecular reactions: II. Tunneling effects  Int. J. Chem. Kinet., 43, 31-42 (2011).  [DOI: 10.1002/kin.20527External link] [CEFRC]
4082.Zheng, J.; Yu, T.; and Truhlar, D. G.  Multi-structural thermodynamics of C–H bond dissociation in hexane and isohexane yielding seven isomeric hexyl radicals  Physical Chemistry Chemical Physics, 13, 19318-19324 (2011).  [DOI: 10.1039/C1CP21829HExternal link] [CEFRC]
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Last modified: 9/17/2014 6:59:08 PM