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.

1001.Lipson, Albert L.; and Hersam, Mark C.  Conductive scanning probe characterization and nanopatterning of electronic and energy materials  J. Phys. Chem. C, , (2013).  [DOI: 10.1021/jp312594sExternal link] [CEES]
1002.Long, Brandon R.; Goldman, Jason L.; Nuzzo, Ralph G.; and Gewirth, Andrew A.  Model Ge microstructures as anodes for Li-ion batteries  J.. Solid State Electrochem., 17(12), 3015-3020 (2013).  [DOI: 10.1007/s10008-013-2148-6External link] [CEES]
1003.Lu, Jun; Lei, Yu; Lau, Kah Chun; Luo, Xiangyi; Du, Peng; Wen, Jianguo; Assary, Rajeev S.; Das, Ujjal; Miller, Dean J.; Elam, Jeffrey W.; Albishri, Hassan M.; El-Hady, D. Abd; Sun, Yang-Kook; Curtiss, Larry A; and Amine, Khalil  A Nanostructured Cathode Architecture for Low Charge Overpotential in Lithium-Oxygen Batteries  Nat. Comm., 4, 2383 (2013).  [DOI: 10.1038/ncomms3383External link] [CEES]
1004.Lu, Jun; Jung, Hun-Ji; Lau, Kah Chun; Zhang, Zhengcheng; Schlueter, J.A.; Du, Peng; Assary, Rajeev S.; Greeley, Jeffrey P; Ferguson, Glen A.; Wang, Hsien-Hau; Hassoun, Jusef; Iddir, H.; Zhou, Jigang; Zuin, Lucia; Hu, Yongfeng; Sun, Yang-Kook; Scrosati, Bruno; Curtiss, Larry A; and Amine, Khalil  Magnetism in Lithium–Oxygen Discharge Product  ChemSusChem, 6, 1196-1202 (2013).  [DOI: 10.1002/cssc.201300223External link] [CEES]
1005.Parsons, Gregory N.; Elam, Jeffrey W.; George, Steven M; Haukka, Suvi; Jeon, Hyeongtag; Kessels, W.M.M. (Erwin); Leskela, Markku; Poodt, Paul; Ritala, Mikko; and Rossenagel, Steven M.  History of atomic layer deposition and its relationship with the American Vacuum Society   J. Vac. Sci. Technol. A, 31(5), 050818-1-0508180-11 (2013).  [DOI: 10.1116/1.4816548External link] [CEES]
1006.Pol, Vilas G.; Wen, Jianguo; Lau, Kah Chun; Callear, Samantha; Bowron, Daniel T.; Lin, Chi-Kai; Deshmukh, Sanket A.; Sankaranarayanan, Subramanian; Curtiss, Larry A; David, William I.F.; Miller, Dean J.; and Thackeray, Michael  Probing the evolution and morphology of hard carbon spheres  Carbon, , (2013).  [DOI: 10.1016/j.carbon.2013.10.059External link] [CEES]
1007.Saal, James E.; Kirklin, Scott; Aykol, Muratahan; Meredig, Bryce; and Wolverton, Christopher  Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)  JOM, 65, 1501 (2013).  [DOI: 10.1007/s11837-013-0755-4External link] [CEES]
1008.Seisenbaeva, Gulaim A.; Nedelec, Jean- Marie; Daniel, Geoffrey; Tiseanu, Carmen; Parvulescu, Vasile; Pol, Vilas G.; Abrego, Luis; and Kessler, Vadim G.  Mesoporous Anatase TiO2 Nanorods as Thermally Robust Anode Materials for Li-Ion Batteries: Detailed Insight into the Formation Mechanism  Chemistry, 19(51), 17439-17444 (2013).  [DOI: 10.1002/chem.201303283External link] [CEES]
1009.Tavassol, Hadi; Chan, Maria K. Y.; Catarello, Maria; Greeley, Jeffrey P; Cahill, D.G.; and Gewirth, Andrew A.  Surface coverage and SEI induced electrochemical surface stress changes during Li deposition in Li-ion battery anodes  J. Electrochem. Soc., 160, A888-A896 (2013).  [DOI: 10.1149/2.068306jesExternal link] [CEES]
1010.Thackeray, Michael; Chan, Maria K. Y.; Trahey, Lynn; Kirklin, Scott; and Wolverton, Christopher  A Vision for Designing High Energy, Hybrid Li-Ion/Li-O2 Cells  J. Phys. Chem. Lett., 4, 3607 (2013).  [DOI: 10.1021/jz4018464External link] [CEES]
1011.Townsend, Joshua P; Chang, Yun-Yuan; Lou, Xiaoting; Merino, Miguel; Kirklin, Scott; Doak, J W; Issa, Ahmed; Wolverton, Christopher; Tkachev, Sergey N; Dera, Przemyslaw; and Jacobsen, Steven D.  Stability and equation of state of post-aragonite BaCO3  Physics and Chemistry of Minerals, 40, 447-453 (2013).  [DOI: 10.1007/s00269-013-0582-8External link] [CEES]
1012.Trahey, Lynn; Karan, Naba K; Chan, Maria K. Y.; Lu, Jun; Ren, Yang ; Greeley, Jeffrey P; Balasubramanian, M.; Burrell, Anthony K.; Curtiss, Larry A; and Thackeray, Michael  Synthesis, Characterization, and Structural Modeling of High-Capacity, Dual Functioning MnO2 Electrode/Electrocatalysts for Li-O2 Cells  Adv. Energy Mater., 3, (2013).  [DOI: 10.1002/aenm.201200037External link] [CEES]
1013.Weng, Wei; Pol, Vilas G.; and Amine, Khalil  Ultrasound Assisted Design of Sulfur/Carbon Cathodes with Partially Fluorinated Ether Electrolytes for Highly Efficient Li/S Batteries  Adv. Mater., 25, 1608-1615 (2013).  [DOI: 10.1002/adma.201204051External link] [CEES]
1014.Weng, Wei; Zhang, Zhengcheng; Schlueter, J.A.; and Amine, Khalil  Synthesis and electrochemical property of sulfone-functionalized imidazolium ionic liquid electrolytes  Electrochim. Acta, 92, 392-396 (2013).  [DOI: 10.1016/j.electacta.2013.01.040External link] [CEES]
1015.Zhan, Chun; Kropf, Jeremy; Wu, Tianpin; Jansen, Andrew N.; Sun, Yang-Kook; Qiu, Xinping; and Amine, Khalil  Mn(II) deposition on anodes and its effects on capacity fade in spinel lithium manganate–carbon systems  Nat. Comm., , (2013).  [DOI: 10.1038/ncomms3437External link] [CEES]
1016.Zhang, Xiaofeng; Belharouak, Ilias; Li, Li; Lei, Yu; Elam, Jeffrey W.; Nie, Anmin; Chen, Xinqi; Yassar, Reza S.; and Axelbaum, Richard L.  Structural and Electrochemical Study of Al2O3 and TiO2 Coated Li1.2Ni0.13Mn0.54Co0.13O2 Cathode Material Using ALD  Adv. Energy Mater., 3, 1299-1307 (2013).  [DOI: 10.1002/aenm.201300269External link] [CEES]
1017.Allen, J.; Green, W. H.; Li, Y.; Guo, H.; and Suleymanov, Y.  FULL DIMENSIONAL QUANTUM RATE COEFFICIENTS AND KINETIC ISOTOPE EFFECTS FROM RING POLYMER MOLECULAR DYNAMICS FOR A SEVEN-ATOM REACTION OH + CH4 → CH3 + H2O  Journal of Chemical Physics, 138, 22103 (2013).  [DOI: 10.1063/1.4811329External link] [CEFRC]
1018.Brumfield, B.; Sun, Wenting; Ju, Yiguang; and Wysocki, G.  Direct In Situ Quantification of HO2 from a Flow Reactor  The Journal of Physical Chemistry Letters, 4, 872–876 (2013).  [DOI: 10.1021/jz400143cExternal link] [CEFRC]
1019.Camacho, J.; Lieb, S.; and Wang, Hai  Evolution of size distributions of nascent soot in n- and i-butanol flames  Proc. Combust. Inst, 34, 1853-1860 (2013).  [DOI: 10.1016/j.proci.2012.05.100External link] [CEFRC]
1020.Campbell, M. F.; Davidson, David F.; Hanson, Ronald K.; and Westbrook, Charles K.  Ignition Delay Times of Methyl Oleate and Methyl Linoleate Behind Reflected Shock Waves  Proc. Combust. Inst, 34, 419–425 (2013).  [DOI: 10.1016/j.proci.2012.05.084External link] [CEFRC]
1021.Dames, Enoch; and Golden, D. M.  Master equation modeling of the unimolecular decompositions of hydroxymethyl (CH2OH) and methyoxy (CH3O) radicals to formaldehyde (CH2O)+H  Journal of Physical Chemistry, 117, 7686-96 (2013).  [DOI: 10.1021/jp404836mExternal link] [CEFRC]
1022.Dames, Enoch; and Wang, Hai  Isomerization kinetics of benzylic and methylphenyl type radicals in single-ring aromatics  Proc. Combust. Inst, 34, 307–314 (2013).  [DOI: 10.1016/j.proci.2012.05.014External link] [CEFRC]
1023.Dempsey, A.; Walker, N.; Gingrich, E.; and Reitz, R. D.  COMPARISON OF LOW TEMPERATURE COMBUSTION STRATEGIES FOR ADVANCED COMPRESSION IGNITION ENGINES WITH A FOCUS ON CONTROLLABILITY  Combustion Science and Technology, 186, 210-241 (2013).  [DOI: 10.1080/00102202.2013.858137External link] [CEFRC]
1024.Dempsey, A.; Walker, N.; and Reitz, R. D.  Effect of Cetane Improvers on Gasoline, Ethanol, and Methanol Reactivity and the Implications for RCCI Combustion  SAE Int. J. Fuels Lubr, 6, 170-187 (2013).  [DOI: 10.4271/2013-01-1678External link] [CEFRC]
1025.Dempsey, A.; Walker, N.; and Reitz, R. D.  Effect of Piston Bowl Geometry on Dual Fuel Reactivity Controlled Compression Ignition (RCCI) in a Light-Duty Engine Operated with Gasoline/Diesel and Methanol/Diesel  SAE Int. J. Engines, 6, 78-100 (2013).  [DOI: 10.4271/2013-01-0264External link] [CEFRC]
1026.Dievart, P. ; Won, Sang Hee; Gong, J.; Dooley, S.; and Ju, Yiguang  A Comparative Study of Chemical Kinetic Characteristics of Methyl Esters in Diffusion Flame Extinction  Proc. Combust. Inst, 34, 821-829 (2013).  [DOI: 10.1016/j.proci.2012.06.180External link] [CEFRC]
1027.El-Asrag, J. A.; and Ju, Yiguang  Direct Numerical Simulations of Exhaust Gas Recirculation on Multistage Autoignition in the Negative Temperature Combustion Regime for A Stratified Flow by Using H2O2 Addition  Combustion Theory and Modeling, 17, 316-334 (2013).  [DOI: 10.1080/13647830.2013.764020External link] [CEFRC]
1028.Gou, Xiaolong; Chen, Z.; Sun, Wenting; and Ju, Yiguang  A Dynamic Adaptive Chemistry Scheme with Error Control for Combustion Modeling with a Large Detailed Mechanism  Combustion and Flame, 160, 225-231 (2013).  [DOI: 10.1016/j.combustflame.2012.10.015External link] [CEFRC]
1029.Guo, Huijin; Sun, Wenting; Haas, F. M.; Dryer, F. L. ; and Ju, Yiguang  Measurements of H2O2 in Low Temperature Dimethyl Ether Oxidation  Proc. Combust. Inst, 34, 573-581 (2013).  [DOI: 10.1016/j.proci.2012.05.056External link] [CEFRC]
1030.Hansen, N.; Merchant, S. S.; Harper, M. R.; and Green, W. H.  The Predictive Capability of an Automatically Generated Combustion Chemistry Mechanism: Chemical Structures of Premixed iso-Butanol Flames  Combust. Flame, 160, 2343-2351 (2013).  [DOI: 10.1016/j.combustflame.2013.05.013External link] [CEFRC]
1031.Heyne, J. S.; Dooley, S.; and Dryer, F. L.  Dehydration Rate Measurements for tertiary-Butanol in a Variable Pressure Flow Reactor  J. Phys. Chem. A, 117, 8997–9004 (2013).  [DOI: 10.1021/jp404143fExternal link] [CEFRC]
1032.Heyne, J. S.; and Dryer, F. L.  Uncertainty Analysis in the Use of Chemical Thermometry: A Case Study with Cyclohexene  J. Phys. Chem. A, 117, 5401–5406 (2013).  [DOI: 10.1021/jp402982yExternal link] [CEFRC]
1033.Jalan, A.; Alecu, I. M.; Meana-Paneda, R.; Aguilera-Iparraguirre, J.; Yang, K. R. ; Merchant, S. S.; Truhlar, D. G.; and Green, W. H.  NEW PATHWAYS FOR FORMATION OF ACIDS AND CARBONYL PRODUCTS IN LOW-TEMPERATURE OXIDATION: THE KORCEK DECOMPOSITION OF Γ-KETOHYDROPEROXIDES  Journal of the American Chemical Society, 135, 11100-11114 (2013).  [DOI: 10.1021/ja4034439External link] [CEFRC]
1034.Jalan, A.; West, R. H.; and Green, W. H.  An Extensible Framework for Capturing Solvent Effects in Computer Generated Kinetic Models  Journal of Physical Chemistry, 117, 2955–2970 (2013).  [DOI: 10.1021/jp310824hExternal link] [CEFRC]
1035.Kéromnès, A.; Metcalfe, W. K.; Heufer, K. A.; Donohoe, N.; Das, A. K.; Sung, C. J.; Herzler, J.; Naumann, C.; Griebel, P.; Mathieu, O.; Krejci, M. C.; Petersen, E. L.; Pitz, W. J.; and Curran, H. J.  An Experimental and Detailed Chemical Kinetic Modelling Study of Hydrogen and Syngas Mixtures at Elevated Pressures  Combustion and Flame, 160, 995-1011 (2013).  [DOI: 10.1016/j.combustflame.2013.01.001External link] [CEFRC]
1036.Kim, H. H.; Won, Sang Hee; Santner, J.; Chen, Z.; and Ju, Yiguang  Measurements of the Critical Initiation Radius and Unsteady Propagation of n-Decane/Air Premixed Flames  Proc. Combust. Inst, 34, 929-936 (2013).  [DOI: 10.1016/j.proci.2012.07.035External link] [CEFRC]
1037.Lam, K. Y.; Davidson, David F.; and Hanson, Ronald K.  A Shock Tube Study of H2+OH→H2O+H using OH Laser Absorption  International Journal of Chemical Kinetics, 45, 363-373 (2013).  [DOI: 10.1002/kin.20771External link] [CEFRC]
1038.Lefkowitz, J. K.; Won, Sang Hee; Fenard, Y.; and Ju, Yiguang  Uncertainty Assessment of Species Measurements in Acetone Counterflow Diffusion Flames  Proc. Combust. Inst, 34, 813-820 (2013).  [DOI: 10.1016/j.proci.2012.05.055External link] [CEFRC]
1039.Li, S.; Dames, Enoch; Davidson, David F.; and Hanson, Ronald K.  HIGH-TEMPERATURE MEASUREMENTS OF THE REACTIONS OF OH WITH ETHYLAMINE AND DIMETHYLAMINE  Journal Physical Chemistry A, 118, 70–77 (2013).  [DOI: 10.1021/jp411141wExternal link] [CEFRC]
1040.Li, Yongle; Suleymanov, Y.; Li, Jun; Green, W. H.; and Guo, Hua  Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X= H, D, Mu) reactions from ring polymer molecular dynamics  Journal of Physical Chemistry, 138, (2013).  [DOI: 10.1063/1.4793394External link] [CEFRC]
1041.Liu, D.; Santner, J.; Togbe, C.; Felsmann, D.; Koppmann, J.; Lackner, A.; Yang, Xueliang; Shen, Xiaobo; Ju, Yiguang; and Kohse-Hoinghaus, K.  FLAME STRUCTURE AND KINETIC STUDIES OF CARBON DIOXIDE-DILUTED DIMETHYL ETHER FLAMES AT REDUCED AND ELEVATED PRESSURES  Combustion and Flame, 160, 2654-2668 (2013).  [DOI: 10.1016/j.combustflame.2013.06.032External link] [CEFRC]
1042.Merchant, S. S.; Zanoelo, E. F.; Speth, R. L.; Harper, M. R.; Van Geem, K. M.; and Green, W. H.  COMBUSTION AND PYROLYSIS OF ISO-BUTANOL: EXPERIMENTAL AND CHEMICAL KINETIC MODELING STUDY  Combustion & Flame, 160, 1907-1929 (2013).  [DOI: 10.1016/j.combustflame.2013.04.023External link] [CEFRC]
1043.Niemeyer, K. E.; and Sung, C. J.  Recent Progress and Challenges in Exploiting Graphics Processors in Computational Fluid Dynamics  The Journal of Supercomputing, , (2013).  [DOI: 10.1007/s11227-013-1015-7External link] [CEFRC]
1044.Nikraz, S.; and Wang, Hai  Dye sensitized solar cells prepared by flames stabilized on a rotating surface  Proceedings of the Combustion Institute, 34, 2171-2178 (2013).  [DOI: 10.1016/j.proci.2012.06.069External link] [CEFRC]
1045.Park, O.; Veloo, Peter S.; and Egolfopoulos, Fokion N.  Flame studies of C2 hydrocarbons  Proc. Combust. Inst, 34, 711-718 (2013).  [DOI: 10.1016/j.proci.2012.06.159External link] [CEFRC]
1046.Pope, Stephen B.  Small scales, many species and the manifold challenges of turbulent combustion  Proc. Combust. Inst, 34, 1-31 (2013).  [DOI: 10.1016/j.proci.2012.09.009External link] [CEFRC]
1047.Reitz, R. D.  Directions in Internal Combustion Engine Research  Combustion and Flame, 160, 1-8 (2013).  [DOI: 10.1016/j.combustflame.2012.11.002External link] [CEFRC]
1048.Ren, W.; Dames, Enoch; Hyland, D.; Davidson, David F.; and Hanson, Ronald K.  Shock Tube Study of Methanol, Methyl Formate Pyrolysis: CH3OH and CO Time-History Measurements  Combustion and Flame, 160, 2669-2679 (2013).  [DOI: 10.1016/j.combustflame.2013.06.016External link] [CEFRC]
1049.Ren, W.; Lam, K. Y.; Pyun, S. H.; Farooq, A.; Davidson, David F.; and Hanson, Ronald K.  Shock Tube/Laser Absorption Studies of the Decomposition of Methyl Formate  Proc. Combust. Inst, 34, 453–461 (2013).  [DOI: 10.1016/j.proci.2012.05.071External link] [CEFRC]
1050.Rosado-Reyes, C.; Tsang, W.; Alecu, I. M.; Merchant, S. S.; and Green, W. H.  DEHYDRATION OF ISOBUTANOL AND THE ELIMINATION OF WATER FROM FUEL ALCOHOLS  Journal of Physical Chemistry, , (2013).  [DOI: 10.1021/jp4045513External link] [CEFRC]
1051.Santner, J.; Dryer, F. L. ; and Ju, Yiguang  The Effects of Water Dilution on Hydrogen, Syngas, and Ethylene Flames at Elevated Pressure  Proc. Combust. Inst, 34, 719-726 (2013).  [DOI: 10.1016/j.proci.2012.06.065External link] [CEFRC]
1052.Sarathy, S. M.; Park, S.; Weber, B. W.; Wang, W.; Veloo, Peter S.; Davis, A. C.; Togbe, C.; Westbrook, Charles K.; Park, O.; Luo, Z.; Oehlschlaeger, M A.; Egolfopoulos, Fokion N.; Lu, T. F.; Pitz, W. J.; Sung, C. J.; and Dagaut, P.  A Comprehensive Experimental and Modeling Study of Iso-Pentanol Combustion  Combustion and Flame, 160, 2712-2728 (2013).  [DOI: 10.1016/j.combustflame.2013.06.022External link] [CEFRC]
1053.Schenk, M.; Lieb, S.; Vieker, Henning; Beyer, Andre; Golzhauser, Armin; Wang, Hai; Kohse-Hoinghaus, K.; and ,  IMAGING NANOCARBON MATERIALS: SOOT PARTICLES IN FLAMES ARE NOT STRUCTURALLY HOMOGENEOUS  ChemPhysChem, 14, 3248 – 3254 (2013).  [DOI: 10.1002/cphc.201300581External link] [CEFRC]
1054.Speth, R. L.; MacNamara, S.; Green, W. H.; and Strang, G.  BALANCED SPLITTING AND REBALANCED SPLITTING  SIAM Journal on Numerical Analysis, 51, 3084–3105 (2013).  [DOI: 10.1137/120878641External link] [CEFRC]
1055.Stranic, I.; Pyun, S. H.; Davidson, David F.; and Hanson, Ronald K.  Multi-Species Measurements in 2-Butanol and i-Butanol Pyrolysis behind Reflected Shock Waves  Combustion and Flame, 160, 1012-1019 (2013).  [DOI: 10.1016/j.combustflame.2013.01.015External link] [CEFRC]
1056.Suleymanov, Y.; Allen, Joshua; and Green, W. H.  RPMDrate: bimolecular chemical reaction rates from ring polymer molecular dynamics  Computer Physics Communication, 184, 833-840 (2013).  [DOI: 10.1016/j.cpc.2012.10.017External link] [CEFRC]
1057.Valiev, D.; Zhu, D. L.; Bansal, G.; Kolla, H.; Law, C. K.; and Chen, J. H.  Pulsating instability of externally forced premixed counterflow  Combust. Flame, 160, 285-294 (2013).  [DOI: 10.1016/j.combustflame.2012.10.014External link] [CEFRC]
1058.Veloo, Peter S.; Dagaut, P.; Togbe, C.; Dayma, G.; Sarathy, S. M.; Westbrook, Charles K.; and Egolfopoulos, Fokion N.  Experimental and Modeling Study of the Oxidation of n- and iso-Butanal  Combust. Flame, 160, 1606-1626 (2013).  [DOI: 10.1016/j.combustflame.2013.03.018External link] [CEFRC]
1059.Veloo, Peter S.; Dagaut, P.; Togbe, C.; Dayma, G.; Sarathy, S. M.; Westbrook, Charles K.; and Egolfopoulos, Fokion N.  Jet-stirred reactor and flame studies of propanal oxidation  Proc. Combust. Inst, 34, 599-606 (2013).  [DOI: 10.1016/j.proci.2012.06.138External link] [CEFRC]
1060.Wang, H.; Yao, M.; and Reitz, R. D.  DEVELOPMENT OF A REDUCED PRIMARY REFERENCE FUEL (PRF) MECHANISM FOR IC ENGINE COMBUSTION SIMULATIONS  Energy and Fuels, 27, 7843–7853 (2013).  [DOI: 10.1021/ef401992eExternal link] [CEFRC]
1061.Wang, Xianming; and Law, C. K.  An analysis of the explosion limits of hydrogen-oxygen mixtures  Journal of Chemical Physics, 138, (2013).  [DOI: 10.1063/1.4798459External link] [CEFRC]
1062.Wang, Haifeng; Juddoo, M.; Starner, S. H.; Masri, A. R.; and Pope, Stephen B.  A novel transient turbulent jet flame for studying turbulent combustion  Proc. Combust. Inst, 34, 1251–1259 (2013).  [DOI: 10.1016/j.proci.2012.06.021External link] [CEFRC]
1063.Weber, B. W.; and Sung, C. J.  Comparative Autoignition Trends in the Butanol Isomers at Elevated Pressure  Energy and Fuels, 27, 1688-1698 (2013).  [DOI: 10.1021/ef302195cExternal link] [CEFRC]
1064.Westbrook, Charles K.; Yang, B. ; Cool, T. A.; Hansen, N.; and Kohse-Hoinghaus, K.  Photoionization Mass Spectrometry and Modeling Study of Premixed Flames of Three Unsaturated C5H8O2 Esters  Proc. Combust. Inst, 34, 443-451 (2013).  [DOI: 10.1016/j.proci.2012.05.034External link] [CEFRC]
1065.Wu, F. J.; and Law, C. K.  An experimental and mechanistic study on the laminar flame speed, Markstein length and flame chemistry of the butanol isomers  Combustion and Flame, 160, 2744-2756 (2013).  [DOI: 10.1016/j.combustflame.2013.06.015External link] [CEFRC]
1066.Wu, F. J.; Jomaas, G.; and Law, C. K.  An experimental investigation on self-acceleration of cellular spherical flames  Proc. Combust. Inst, 34, 937-945 (2013).  [DOI: 10.1016/j.proci.2012.05.068External link] [CEFRC]
1067.Yang, Y.; Pope, Stephen B.; and Chen, J. H.  Empirical Low-Dimensional Manifolds in Composition Space  Combustion and Flame, 160, 1967-1980 (2013).  [DOI: 10.1016/j.combustflame.2013.04.006External link] [CEFRC]
1068.Yang, Y.; Wang, H.; Pope, Stephen B.; and Chen, J. H.  Large-eddy simulation/PDF modeling of a non-premixed CO/H2 temporally evolving jet flame  Proc. Combust. Inst, 34, 1241-1249 (2013).  [DOI: 10.1016/j.proci.2012.08.015External link] [CEFRC]
1069.Yoo, C. S.; Luo, Z.; Lu, T. F.; Kim, H.; and Chen, J. H.  A DNS study of ignition characteristics of a lean iso-octane/air mixture under HCCI and SACI conditions  Proc. Combust. Inst, 34, 2985-2993 (2013).  [DOI: 10.1016/j.proci.2012.05.019External link] [CEFRC]
1070.Zhang, Peng; Klippenstein, S. J.; and Law, C. K.  Ab initio kinetics for the decomposition of hydroxybutyl and butoxy radicals of n-butanol  Journal of Physical Chemistry A, 117, 1890-1906 (2013).  [DOI: 10.1021/jp400155zExternal link] [CEFRC]
1071.Zhang, H.; Hawkes, E. R.; Chen, J. H.; and Kook, S.  A numerical study of the autoignition of dimethyl ether with temperature inhomogeneities  Proc. Combust. Inst, 34, 803-812 (2013).  [DOI: 10.1016/j.proci.2012.07.026External link] [CEFRC]
1072.Zhao, P.; and Law, C. K.  The role of global and detailed kinetics in the first-stage ignition delay in NTC-affected phenomena  combustion and flame, 160, 2352-2358 (2013).  [DOI: 10.1016/j.combustflame.2013.06.009External link] [CEFRC]
1073.Zheng, J.; and Truhlar, D. G.  INCLUDING TORSIONAL ANHARMONICITY IN CANONICAL AND MICROCANONICAL REACTION PATH CALCULATIONS  Journal of Chemical Theory and Computation, 9, 2875-2881 (2013).  [DOI: 10.1021/ct400231qExternal link] [CEFRC]
1074.Zheng, J.; Meana-Paneda, R.; and Truhlar, D. G.  MSTOR VERSION 2013: A NEW VERSION OF THE COMPUTER CODE FOR THE MULTISTRUCTURAL TORSIONAL ANHARMONICITY WITH A COUPLED TORSIONAL POTENTIAL  Computer Physics Communications, 184, 2032-2033 (2013).  [DOI: 10.1016/j.cpc.2013.03.011External link] [CEFRC]
1075.Zheng, J.; Seal, P.; and Truhlar, D. G.  Role of Conformational Structures and Torsional Anharmonicity in Controlling Chemical Reaction Rates and Relative Yields: Butanal + HO2 Reactions  Chemical Science, 4, 200-212 (2013).  [DOI: 10.1039/c2sc21090hExternal link] [CEFRC]
1076.Zheng, J.; and Truhlar, D. G.  Quantum Thermochemistry: Multi-Structural Method with Torsional Anharmonicity Based on a Coupled Torsional Potential  Journal of Chemical Theory and Computation, 9, 1356-1367 (2013).  [DOI: 10.1021/ct3010722External link] [CEFRC]
1077.Zhou, C. W.; Klippenstein, S. J.; Simmie, J. M.; and Curran, H. J.  Theoretical kinetics for the decomposition of iso-butanol and related (CH3)2CH + CH2OH reactions  Proc. Combust. Inst, 34, 501-509 (2013).  [DOI: 10.1016/j.proci.2012.06.034External link] [CEFRC]
1078.Zhu, Y.; Davidson, David F.; and Hanson, Ronald K.  1-Butanol Ignition Delay Times at Low Temperatures: An Application of the constrained-Reaction-Volume Strategy  Combustion and Flame, , (2013).  [DOI: 10.1016/j.combustflame.2013.06.028External link] [CEFRC]
1079.Bartynski, Andrew N.; Trinh, Cong; Panda, Anurag; Lassiter, Brian E; Bergemann, Kevin; Zimmerman, Jeramy D.; Forrest, Stephen R.; and Thompson, Mark E.  A Fullerene-Based Organic Exciton Blocking Layer with High Electron Conductivity  Nano Lett., 13 (7), 3315–3320 (2013).  [DOI: 10.1021/nl401531tExternal link] [CEN]
1080.Chi, Chun-Yung; Chang, Chia-Chi; Hu, Shu; Yeh, Ting-Wei; Cronin, Stephen B.; and Dapkus, P. Daniel  Twin-Free GaAs Nanosheets by Selective Area Growth: Implications for Defect-Free Nanostructures  Nano Lett., 13 (6), 2506–2515 (2013).  [DOI: 10.1021/nl400561jExternal link] [CEN]
1081.Couderc, Elsa; Greaney, Matthew J.; Brutchey, Richard L.; and Bradforth, Stephen E.  Direct Spectroscopic Evidence of Ultrafast Electron Transfer from a Low Band Gap Polymer to CdSe Quantum Dots in Hybrid Photovoltaic Thin Films  J. Am. Chem Soc., 135 (49), 18418–18426 (2013).  [DOI: 10.1021/ja406884hExternal link] [CEN]
1082.Dhar, Purnim; Khlyabich, Petr P.; Burkhart, Beate; Roberts, Sean T.; Malyk, S; Thompson, Barry C.; and Benderskii, Alexander  Annealing Induced Changes in the Molecular Orientation of Poly-3-hexylthiophene at Buried Interfaces  J Phys Chem C, 117, 15213-15220 (2013).  [DOI: "Annealing Induced Changes in the Molecular Orientation of Poly-3-hexylthiophene at Buried InterfacesExternal link] [CEN]
1083.Dongseok, Kang; Arab, Shermin; Cronin, Stephen B.; Li, Xiuling; Rogers, John A.; and Yoon, Jongseung  Carbon-doped GaAs single junction solar microcells grown in multilayer epitaxial assemblies  App. Phys. Lett., 102(25), 253902 (2013).  [DOI: 10.1063/1.4812399External link] [CEN]
1084.Feng, Xinjian ; Luzanov, A. V.; and Krylov, Anna I.  Fission of Entangled Spins: An Electronic Structure Perspective  J. Phys. Chem. Lett., 4, 3845 (2013).  [DOI: J. Phys. Chem. Lett.External link] [CEN]
1085.Greaney, Matthew J.; Araujo, Jose; Burkhart, Beate; Thompson, Barry C.; and Brutchey, Richard L.  1. Novel Semi-Rando and Alternating Copolymer Hybrid Solar Cells Utilizing CdSe as Versatile Acceptors  Chemical Communications, 49, 8602-8604 (2013).  [DOI: 10.1039/C3CC44536DExternal link] [CEN]
1086.Hattori, Shinnosuke; Mou, Weiwei; Rajak, P; Shimojo, Fuyuki; and Nakano, Aiichiro  Interfacial design for reducing charge recombination in photovoltaics  Applied Physics Letters, 102(9), 093302: 1-5 (2013).  [DOI: 10.1063/1.4794983External link] [CEN]
1087.Hu, Shu; Chi, Chun-Yung; Fountaine, Katherine T.; Yao, Maoqing; Atwater, Harry A.; Dapkus, P. Daniel; Lewis, Nathan S.; and Zhou, Chongwu  Optical, electrical, and solar energy-conversion properties of gallium arsenide nanowire-array photoanodes  Energy Environ. Sci., Advance Article, (2013).  [DOI: 10.1039/C3EE40243FExternal link] [CEN]
1088.Huang, Ningfeng; Martinez, L.J.; and Povinelli, Michelle L.  Tuning the transmission lineshape of a photonic-crystal slab guided resonance mode by polarization control  Opt Express, 21(18), 20675-82 (2013).  [DOI: 10.1364/OE.21.020675External link] [CEN]
1089.Khlyabich, Petr P.; Burkhart, Beate; Rudenko, Andrey; and Thompson, Barry C.  Optimization and Simplification of Polymer-Fullerene Solar Cells through Polymer and Active Layer Design (Feature Article)  Polymer, 54, 5267-5298 (2013).  [DOI: 10.1016/j.polymer.2013.07.053External link] [CEN]
1090.Kunaseth, Manaschai; Richards, David F.; Glosli, James N.; Kalia, Rajiv K.; Nakano, Aiichiro; and Vashishta, Priya  Analysis of scalable data-privatization threading algorithms for hybrid MPI/OpenMP parallelization of molecular dynamics  Journal of Supercomputing, 66, 406-430 (2013).  [DOI: 10.1007/s11227-013-0915-xExternal link] [CEN]
1091.Li, Kejia; Khlyabich, Petr P.; Burkhart, Beate; Thompson, Barry C.; and Campbell, Joe C.  INFLUENCE OF EXCITON DIFFUSION AND CHARGE-TRANSFER STATE DISSOCIATION EFFICIENCY ON THE SHORT-CIRCUIT CURRENT DENSITIES IN SEMI-RANDOM DONOR/ACCEPTOR POLYMER:FULLERENE SOLAR CELLS  J. Phys. Chem C, 117(4), 6940-6948 (2013).  [DOI: 10.1021/jp311930mExternal link] [CEN]
1092.Mastron, Joseph N.; Roberts, Sean T.; McAnally, R. Eric; Thompson, Mark E.; and Bradforth, Stephen E.  Aqueous Colloidal Acene Nanoparticles: A New Platform for Studying Singlet Fission  J. Phys. Chem. B, 117 (49), 15519–15526 (2013).  [DOI: 10.1021/jp4057972External link] [CEN]
1093.Mou, Weiwei; Hattori, Shinnosuke; Rajak, P; Shimojo, Fuyuki; and Nakano, Aiichiro  Nanoscopic mechanisms of singlet fission in amorphous molecular solid  Appl. Phys. Lett., 102(17), 173301 (2013).  [DOI: 10.1063/1.4795138External link] [CEN]
1094.Peng, Liu; Tan, Guangming; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Fan, Dongrui; Zhang, Hao; and Song, Fenglong  Scalability study of molecular dynamics simulation on Godson-T many-core architecture  Journal of Parallel and Distributed Computing, 73(11), 1469–1482 (2013).  [DOI: 10.1016/j.jpdc.2012.07.007External link] [CEN]
1095.Rolin, Cedric; and Forrest, Stephen R.  Diffusion Coefficients of Fluorescent Organic Molecules in Inert Gases  App. Phys. Lett., 103(4), 041911 (2013).  [DOI: 10.1063/1.4816960External link] [CEN]
1096.Rudenko, Andrey; Noh, Sangtaik; and Thompson, Barry C.  Influence of selenophene on the properties of semi-random polymers and their blends with PC61BM  Nanotechnology, 24, 484002 (2013).  [DOI: 10.1088/0957-4484/24/48/484002External link] [CEN]
1097.Rudenko, Andrey; Wiley, Calvin A; Tannaci, John F; and Thompson, Barry C.  OPTIMIZATION OF DIRECT ARYLATION POLYMERIZATION (DARP) CONDITIONS FOR THE SYNTHESIS OF P3HT  J. Polym. Sci., Part A: Polym. Chem., Early View, (2013).  [DOI: 10.1002/pola.26655External link] [CEN]
1098.Sarkissian, Raymond; Roberts, Sean T.; Yeh, Ting-Wei; Das, Saptaparna; Bradforth, Stephen E.; O'Brien, John; and Dapkus, P. Daniel  Photon quenching in InGaN quantum well light emitting devices  Appl. Phys. Lett., 103(4), 041123 (2013).  [DOI: 10.1063/1.4816757External link] [CEN]
1099.Seyedi, Mir Ashkan; Yao, Maoqing; O'Brien, John; Wang, S. Y.; and Dapkus, P. Daniel  Large area, low capacitance, GaAs nanowire photodetector with a transparent Schottky collecting junction  Appl. Phys. Lett., 103(25), 251109 (2013).  [DOI: 10.1063/1.4852136External link] [CEN]
1100.Shimamura, K; Yuan, Zaoshi; Shimojo, Fuyuki; and Nakano, Aiichiro  Effects of twins on the electronic properties of GaAs  Applied Physics Letters, 103(2), 022105 (2013).  [DOI: 10.1063/1.4811746External link] [CEN]
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