Argonne National Laboratory

2016 Publications

A

Agarwal V., and Metiu H. I., "Energy of Oxygen-Vacancy Formation on Oxide Surfaces: Role of the Spatial Distribution," J. Phys. Chem. C, 120, 2320-2323, (2016) (Link)

Arges C. G., Kambe Y., Suh H., Ocola L. E., and Nealey P. F., "Perpendicularly Aligned, Anion Conducting Nanochannels in Block Copolymer Electrolyte Films," Chem. Mater., 28, 1377-1389, (2016) (Link)

Asadi M., Kumar B., Liu C., Phillips P., Yasaei P., Behranginia A., Zapol P., Klie R. F., Curtiss L. A., and Salehi-khojin A., "Cathode Based on Molybdenum Disulfide Nanoflakes for Lithium-Oxygen Batteries," ACS Nano, 10, 2167-2175, (2016) (Link)

Ashuri M., He Q., Liu Y., Zhang K., Emani S. V., Sawicki M. S., Shamie J. S., and Shaw L. L., "Hollow Silicon Nanospheres Encapsulated with a Thin Carbon Shell: An Electrochemical Study," Electrochem. Acta, 215, 126-141, (2016) (Link)

Back to top

B

Barkholtz H. M., Gallagher J. R., Li T., Liu Y., Winans R. E., Miller J. T., Liu D., and Xu T., "Lithium Assisted "Dissolution-Alloying" Synthesis of Nanoalloys from Individual Bulk Metals," Chem. Mater., 28, 2267-2277, (2016) (Link)

Behranginia A., Asadi M., Liu C., Yasaei P., Kumar B., Phillips P., Foroozan T., Waranius J. C., Kim K., Abiade J. T., Klie R. F., Curtiss L. A., and Salehi-khojin A., "Highly Efficient Hydrogen Evolution Reaction Using Crystalline Layered Three-Dimensional Molybdenum Disulfides Grown on Graphene Film," Chem. Mater., 28, 549-555, (2016) (Link)

Bugaris D. E., Malliakas C. D., Chung D., and Kanatzidis M. G., "Metallic Borides, La2Re3B7 and La3Re2B5, Featuring Extensive Boron-Boron Bonding," Inorg. Chem., 55, 1664-1673, (2016) (Link)

Bukowski B. C., and Greeley J. P., "Scaling Relationships for Molecular Adsorption and Dissociation in Lewis Acid Zeolites," J. Phys. Chem. C, 120, 6714-6722, (2016) (Link)

Back to top

C

Cammarata A., and Rondinelli J. M., "Microscopic Interactions Governing Phase Matchability in Nonlinear Optical Materials," J. Mater. Chem. C, 4, 5858-5863, (2016) (Link)

Cao Y., Meng X., and Elam J. W., "Atomic Layer Deposition of LixAlyS Solid-State Electrolytes for Stabilizing Lithium-Metal Anodes," ChemElectroChem, 3, 858-863, (2016) (Link)

Cecil T. W., Gades L. M., Madden T., Yan D., and Miceli A., "Tuning the Transition Temperature of WSix Alloys for Use in Cryogenic Microcalorimeters," J. Low Temp. Phys., 184, 17-22, (2016) (Link)

Chang A. Y., Cho Y., Chen K., Chen C., Kinaci A., Diroll B. T., Wagner M. J., Chan M. K., Lin H., and Schaller R. D., "Slow Organic-to-Inorganic Sub-Lattice Thermalization in Methylammonium Lead Halide Perovskites Observed by Ultrafast Photoluminescence," Adv. Eng. Mater., 6, 1600422 , (2016) (Link)

Che F., Ha S., and Mcewen J., "Elucidating the Role of the Electric Field at the Ni/YSZ Electrode: A DFT Study," J. Phys. Chem. C, 120, 14608-14620, (2016) (Link)

Che F., Su H., and Mcewen J., "Elucidating the Field Influence on the Energetics of the Methane Steam Reforming Reaction: A Density Functional Theory Study," Appl. Catal. B: Env., 195, 77-89, (2016) (Link)

Cherukara M. J., Narayanan B., Kinaci A., Sasikumar K., Gray S. K., Chan M. K., and Sankaranarayanan S., "Ab Initio-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures," J. Phys. Chem. Lett., 7, 3752-3759, (2016) (Link)

Cui Y., Kenworthy A. K., Edidin M., Divan R. S., Rosenmann D., and Wang P., " Analyzing Single Giant Unilamellar Vesicles With a Slotline-Based RF Nanometer Sensor," IEEE T. Micro. Theory, 64, 1339-1347, (2016) (Link)

Cunningham P. D., Souza Jr. J. B., Fedin I., She C., Lee B., and Talapin D. V., "Assessment of Anisotropic Semiconductor Nanorod and Nanoplatelet Heterostructures," ACS Nano, 10, 5769-5781, (2016) (Link)

Back to top

D

Deshmukh S. A., Narayanan B., Kamath G. K., Pol V. G., Wen J., Miller D. J., and Sankaranarayanan S., "Nanoscale Origin and Evolution of Kinetically Induced Defects in Carbon Spheres," Carbon, 96, 647-660, (2016) (Link)

Dharmapalan R., Mane A., Byrum K., Demarteau M. W., Elam J. W., May E., Wagner R., Walters D., Xia L., and Xie J., "MCP-based Photodetectors for Cryogenic Applications," J. Instrumentation, 11, C02019, (2016) (Link)

Dong R., Moore L., Aripova N., Willamson C., Schurz R., Liu Y., Ocola L. E., and Kuljanishvili I., "Bottom-up Direct Writing Approach for Controlled Fabrication of WS2/MoS2 Heterostructure Systems," RCS Adv., 6, 66589-66594, (2016) (Link)

Dong R., Moore L., Ocola L. E., and Kuljanishvili I., "Enabling Quality Interfaces with Mask-Free Approach to Selective Growth of MoS2/Graphene Stacked Structures," Adv. Mater. Interfaces, 3, 1600098, (2016) (Link)

Duncan D. S., Magyari-kope B., and Nishi Y., "Filament-Induced Anisotropic Oxygen Vacancy Diffusion and Charge Trapping Effects in Hafnium Oxide RRAM," IEEE Electr. Dev. Lett., 37, 400-403, (2016) (Link)

Duncan D. S., Magyari-kope B., and Nishi Y., "Hydrogen Doping in HfO2 Resistance Change Random Access Memory," Appl. Phys. Lett., 108, 043501-043501-5, (2016) (Link)

Back to top

E

Erdemir A., Ramirez G., Eryilmaz O. L., Narayanan B., Liao Y., Kamath G. K., and Sankaranarayanan S., "Carbon-based Tribofilms from Lubricating Oils," Nature, 536, 67-71, (2016) (Link)

Back to top

G

Galstyan A., Messaddeq S. H., Segre C. U., Galstian T., and Messaddeq Y., "Structural Analysis of Tm3 + Doped As-S-Ga Glasses by Raman and EXAFS Spectroscopy," J. Non-Cryst. Solids, 432, 487-492, (2016) (Link)

Gao L., Pal P. P., Seideman T., Guisinger N. P., and Guest J. R., "Current-Driven Hydrogen Desorption from Graphene: Experiment and Theory," J. Phys. Chem. Lett., 7, 486-494, (2016) (Link)

Gao Y., Harder R. J., Southworth S. H., Guest J. R., Scherer N. F., Yan Z., Ocola L. E., Pelton M. A., and Young L., "Bragg Diffraction from Sub-micron Particles Isolated by Optical Tweezers," AIP Conference Proceeding;, [1741], (AIP), (2016) (Link)

Gong J., Yang M., Ma X., Schaller R. D., Liu G., Kong L., Yang Y., Beard M. C., Lesslie M., Dai Y., Huang B., Zhu K., and Xu T., "Electron-Rotor Interaction in Organic-Inorganic Lead Iodide Perovskites Discovered by Isotope Effects," J. Phys. Chem. Lett., 7, 2879-2887, (2016) (Link)

Gu M., and Rondinelli J. M., "Ultrafast Band Engineering and Transient Spin Currents in Antiferromagnetic Oxides," Scientific Reports, 6, 25121 , (2016) (Link)

Guo P., Schaller R. D., Ketterson J. B., and Chang R. P., "Ultrafast Switching of Tunable Infrared Plasmons in Indium Tin Oxide Nanorod Arrays with Large Absolute Amplitude," Nature Photonics, 10, 267-273, (2016) (Link)

Guo P., Schaller R. D., Ocola L. E., Ketterson J. B., and Chang R. P., "Gigahertz Acoustic Vibrations of Elastically Anisotropic Indium-Tin-Oxide Nanorod Arrays," Nano Letters, 16, 5639-5646, (2016) (Link)

Back to top

H

Ha Y., Zeng Z., Cohen Y., Greeley J. P., and Gewirth A. A., "Electrochemical Surface Stress Development during CO and NO Oxidation on Pt," J. Phys. Chem. C, 120, 8683-8674, (2016) (Link)

Han F., Liu H., Malliakas C. D., Sturza M. I., Chung D., Wan X., and Kanatzidis M. G., "La1-xBi1+xS3 (x ~~ 0.08): An n-Type Semiconductor," Inorg. Chem., 55, 3547-3552, (2016) (Link)

Hensley A. J., Wang Y., and Mcewen J., "Adsorption of Guaiacol on Fe (110) and Pd (111) from First Principles," Surf. Sci., 648, 227-235, (2016) (Link)

Herron J. A., Morikawa Y., and Mavrikakis E., "Ab Initio Molecular Dynamics of Solvation Effects on Reactivity at Eelectrified Interfaces," Proc. Natl. Acad. Sci. USA, 113, E4937-E4945, (2016) (Link)

Holland M., Charles N., Rondinelli J. M., and Poeppelmeier K. R., "Reconstructive Transitions from Rotations of Rigid Heteroanionic Polyhedra," J. Am. Chem. Soc., 138, 11882-11889, (2016) (Link)

Hong S., and Rahman T. S., "Geometric and Electronic Structure and Magnetic Properties of Fe-Au Nanoalloys: Insights from ab Initio Calculations," Phys. Chem. Chem. Phys., 17, 28177-28185, (2016) (Link)

Hu Q., Aboustait M. B., Kim T., Ley M. T., Hanan J. C., Bullard J., Winarski R. P., and Rose V., "Direct Three-dimensional Observation of the Microstructure and Chemistry of C3S Hydration," Cement Concrete Res., 88, 157-169, (2016) (Link)

Hu Q., Aboustait M. B., Kim T., Ley M., Bullard J. W., Scherer G., Hanan J. C., Rose V., Winarski R. P., and Gelb J. D., "Direct Measurements of 3d Structure, Chemistry and Mass Density During the Induction Period of C3s Hydration," Cement Concrete Res., 89, 14-26, (2016) (Link)

Hu Z. W., and Winarski R. P., "In Situ 3-D Mapping of Pore Structures and Hollow Grains of Interplanetary Dust Particles with Phase Contrast X-ray Nanotomography," Macromol. Chem. Phys., 51, 1632-1642, (2016) (Link)

Hu Z., Ma B., Li M., Koritala R. E., and Balachandran U., "Ferroelectric PLZT Thick Films Grown by Poly(1-vinylpyrrolidone-co-vinyl acetate) (PVP/VA)-modified Sol-gel Process," Materials Research Bulletin, 75, 167-171, (2016) (Link)

Huang C., Kristoffersen H. H., Gong X., and Metiu H. I., "Reactions of Molten LiI with I2, H2O, and O2 Relevant to Halogen-Mediated Oxidative Dehydrogenation of Alkanes," J. Phys. Chem. C, 120, 4931-4936, (2016) (Link)

Humayun M., Divan R. S., Liu Y., Gundel L., Solomon P. A., and Paprotny I., "Novel Chemoresistive CH4 Sensor with 10 ppm Sensitivity Based on Multiwalled Carbon Nanotubes Functionalized with SnO2 Nanocrystals ," J. Vac. Sci. Technol. A, 34, 01A131-1-01A131-7, (2016) (Link)

Humayun M., Divan R. S., Stan L., Rosenmann D., Gosztola D. J., Gundel L., Solomon P. A., and Paprotny I., "Ubiquitous Low-cost Functionalized Multi-Walled Carbon Nanotube Sensors for Distributed Methane Leak Detection," IEEE Sensors Journal, PP, 1 -1, (2016) (Link)

Back to top

I

Incorvati J. T., Wan L. F., Key B., Zhou D., Liao C., Fuoco L., Holland M., Wang H., Prendergast D., Poeppelmeier K. R., and Vaughey J. T., "Reversible Magnesium Intercalation into a Layered Oxyfluoride Cathode," Chem. Mater., 28, 17-20, (2016) (Link)

Back to top

J

Jablonski M. L., Liu S., Winkler C. R., Damodaran A. R., Grinberg I., Martin L. W., Rappe A. M., and Taheri M. L., "Asymmetric Response of Ferroelastic Domain-Wall Motion Under Applied Bias," ACS Applied Materials & Interfaces, 8, 2935-2941, (2016) (Link)

Jiang W., Zhang W., Yu G., Jungfleisch M., Upadhyaya P., Somaily H. H., Pearson J. E., Tserkovnyak Y., Wang K. L., Heinonen O. G., G. E. Te Velthuis S., and Hoffmann A. F., "Mobile Néel Skyrmions at Room Temperature: Status and Future," AIP Advances, 6, 055602, (2016) (Link)

Jungfleisch M., Zhang W., Ding J., Jiang W., Sklenar J. N., Pearson J. E., Ketterson J. B., and Hoffmann A. F., "All-electrical Detection of Spin Dynamics in Magnetic Antidot Lattices by the Inverse Spin Hall Effect ," Appl. Phys. Lett., 108, 052403, (2016) (Link)

Jungfleisch M., Zhang W., Iacocca E., Sklenar J. N., Ding J., Jiang W., Zhang S., Pearson J. E., Novosad V., Ketterson J. B., Heinonen O. G., and Hoffmann A. F., "Dynamic Response of an Artificial Square Spin Ice," Phys. Rev. B, 93, 100401(R), (2016) (Link)

Jungfleisch M., Zhang W., Sklenar J. N., Ding J., Jiang W., Chang H., Fradin F. Y., Pearson J. E., Ketterson J. B., Novosad V., Wu M., and Hoffmann A. F., "Large Spin-Wave Bullet in a Ferrimagnetic Insulator Driven by the Spin Hall Effect," Phys. Rev. Lett., 116, 057601, (2016) (Link)

Jungfleisch M., Zhang W., Sklenar J. N., Jiang W., Pearson J. E., Ketterson J. B., and Hoffmann A. F., "Interface-driven Spin-torque Ferromagnetic Resonance by Rashba Coupling at the Interface Between Nonmagnetic Materials," Phys. Rev. B, 93, 224419-224423, (2016) (Link)

Back to top

K

Kandemir A., Yapicioglu H., Kinaci A., Cagin T., and Sevik C., "Thermal Transport Properties of MoS2 and MoSe2 Monolayers," Nanotechnology, 27, 055703-055708, (2016) (Link)

Kashiv Y., Austin Ii J. R., Lai B., Rose V., Vogt S., and El-muayed M., "Imaging Trace Element Distributions in Single Organelles and Subcellular Features," Scientific Reports, 6, 21437, (2016) (Link)

Kinaci A., Kado M., Rosenmann D., Ling C., Zhu G., Banerjee D., and Chan M. K., "Electronic Transport in VO2-Experimentally Calibrated Boltzmann Transport Modeling ," Appl. Phys. Lett., 107, 262108-1-262108-5, (2016) (Link)

Kirschner M. S., Lethiec C. M., Lin X., Schatz G. C., Chen L. X., and Schaller R. D., "Size-Dependent Coherent-Phonon Plasmon Modulation and Deformation Characterization in Gold Bipyramids and Nanojavelins," ACS Photonics, 3, 758-763, (2016) (Link)

Klinkova A., Ahmed A., Choueiri R. M., Guest J. R., and Kumacheva E., "Toward Rational Design of Palladium Nanoparticles with Plasmonically Enhanced catalytic performance," RSC Adv., 6, 47907-47911, (2016) (Link)

Kohler L., Hayes D., Hong J., Carter T. J., Shelby M. L., Fransted K. A., Chen L. X., and Mulfort K. L., "Synthesis, Structure, Ultrafast Kinetics, and Light-induced Dynamics of CuHETPHEN Chromophores ," Dalton T., 45, 9871-9883, (2016) (Link)

Kong L., Liu G., Gong J., Hu Q., Schaller R. D., Dera P., Zhang D., Liu Z., Yang W., Zhu K., Tang Y., Wang C., Wei S., Xu T., and Mao H., "Simultaneous Band-gap Narrowing and Carrier-lifetime Prolongation of Organic-inorganic Trihalide Perovskites," PNAS, 113, 8910-8915, (2016) (Link)

Kristoffersen H. H., and Metiu H. I., "Structure and Oxidizing Power of Single Layer α-V2O5 ," Top. Catal., 59, 809-816, (2016) (Link)

Kristoffersen H. H., and Metiu H. I., "Structure of V2O5.nH2O Xerogels," J. Phys. Chem. C, 120, 3986-3992, (2016) (Link)

Kulkarni A. R., Zhao Z., Siahrostami S., Norskov J. K., and Studt F., "Monocopper Active Site for Partial Methane Oxidation in Cu-Exchanged 8MR Zeolites," ACS Catal., 6, 6531-6536, (2016) (Link)

Kwon S., Chattopadhyay S., Koo B., Dos Santos Claro P. C., Shibata T., Requejo F. G., Giovanetti L. J., Liu Y., Johnson C. S., Prakapenka V. B., Lee B., and Shevchenko E. V., "Oxidation Induced Doping of Nanoparticles Revealed by in Situ X‑ray Absorption Studies," Nano Letters, 16, 3738-3747, (2016) (Link)

Back to top

L

Lanigan D. M., and Thimsen E. J., "Contact Radius and the Insulator-Metal Transition in Films Comprised of Touching Semiconductor Nanocrystals," ACS Nano, 10, 6744-6752, (2016) (Link)

Latta D. E., Kemner K. M., Mishra B., and Boyanov M. I., "Effects of Calcium and Phosphate on Uranium(IV) Oxidation: Comparison Between Nanoparticulate Uraninite and Amorphous UIV-phosphate," Geochim. Cosmochim. Acta, 174, 122-142, (2016) (Link)

Lee A., Elam J. W., and Darling S. B., "Membrane Materials for Water Purification: Design, Development, and Application," Environ. Sci. Water Res. Technol. , 20, 17-42, (2016) (Link)

Leng H., Loy J., Amin V. A., Weiss E. A., and Pelton M. A., "Electron Transfer from Single Semiconductor Nanocrystals to Individual Acceptor Molecules," Acc. Chem. Res., 1, 9-15, (2016) (Link)

Li X., Liu Y., Wan L., Li Z., Suh H., Ren J., Ocola L. E., Hu W., Ji S., and Nealey P. F., "Effect of Stereochemistry on Directed Self-Assembly of Poly(styrene-b-lactide) Films on Chemical Patterns," ACS Macro Lett, 5, 396-401, (2016) (Link)

Li Y., Schaller R. D., Zhu M., Walko D. A., Kim J., Ke X., Miao L., and Mao Z. Q., "Strong Lattice Correlation of Non-equilibrium Quasiparticles in a Pseudospin-1/2 Mott Insulator Sr2IrO4," Scientific Reports, 6, 19302, (2016) (Link)

Li Y., Xu R., Ren Y., Lu J., Wu H., Wang L., Miller D. J., Sun Y., Amine K., and Chen Z., "Synthesis of Full Concentration Gradient Cathode Studied by High Energy X-ray Diffraction," Nano Energy, 19, 522-531, (2016) (Link)

Li Z., Palacios E., Butun S., and Aydin K., "Ultrawide Angle, Directional Spectrum Splitting with Visible-Frequency Versatile Metasurfaces," Adv. Optical Mater., 4, 953-958, (2016) (Link)

Li Z., Wang W., Rosenmann D., Czaplewski D. A., Yang X., and Gao J., "All-metal Structural Color Printing Based on Aluminum Plasmonic Metasurfaces ," Optics Express, 24, 20472-20480, (2016) (Link)

Liang L., Mei Z., Kim Y., Ye B., Hofman G., Anitescu M., and Yacout A. M., "A Mesoscale Model for Fission-induced Recrystallization in U-7Mo Alloy," Computational Materials Science, 124, 228-237, (2016) (Link)

Lipson A. L., Han S., Kim S., Pan B., Sa N., Liao C., Fister T. T., Burrell A. K., Vaughey J. T., and Ingram B. J., "Nickel Hexacyanoferrate, a Versatile Intercalation Host for Divalent Ions from Nonaqueous Electrolytes," J. Power Sources, 325, 646-652, (2016) (Link)

Liu Q., Gao M., Liu Y., Okasinski J. S., Ren Y., and Sun Y., "Quantifying the Nucleation and Growth Kinetics of Microwave Nanochemistry Enabled by in Situ High-Energy X-ray Scattering," Nano Letters, 16, 715-720, (2016) (Link)

Logan J. M., Harder R. J., Li L., Haskel D., Chen P., Winarski R. P., Fuesz P. L., Schlagel D., Vine D., Benson C., and Mcnulty I. L., "Hard X-ray Polarizer to Enable Simultaneous Three-dimensional Nanoscale Imaging of Magnetic Structure and Lattice Strain," J. Synchrotron Rad., 23, 1210-1215, (2016) (Link)

Lohr T. L., Li Z., Surendran Assary R., Curtiss L. A., and Marks T. J., "Mono- and tri-ester Hydrogenolysis using Tandem Catalysis. Scope and Mechanism ," Energy Environ. Sci., 9, 550-564, (2016) (Link)

Lu J., Lee Y., Luo X., Lau K., Asadi M., Wang H., Brombosz S. M., Wen J., Zhai D., Chen Z., Miller D. J., Jeong Y., Park J., Fang Z., Kumar B., Salehi-khojin A., Sun Y., Curtiss L. A., and Amine K., "A Lithium-oxygen Battery Based on Lithium Superoxide," Nature, 529, 377-382, (2016) (Link)

Luo X., Lu J., Sohm E., Ma L., Wu T., Wen J., Qiu D., Xu Y., Ren Y., Miller D. J., and Amine K., "Uniformly Dispersed FeOx Atomic Clusters by Pulsed Arc Plasma Deposition: An Efficient Electrocatalyst for Improving the Performance of Li-O2 Battery," Nano Research, 9, 1913-1920, (2016) (Link)

Luo Y., Gamliel S., Nijem S., Aharon S., Holt M. V., Stripe B. D., Rose V., Bertoni De Merkle M. I., Etgar L., and Fenning D. P., "Spatially Heterogeneous Chlorine Incorporation in Organic-Inorganic Perovskite Solar Cells," Chem. Mater., 28, 6536-6543, (2016) (Link)

Back to top

M

Ma L., Luo X., Kropf A., Wen J., Wang X., Lee S., Myers D. J., Miller D. J., Wu T., Lu J., and Amine K., "Insight into the Catalytic Mechanism of Bimetallic Platinum-Copper Core-Shell Nanostructures for Nonaqueous Oxygen Evolution Reactions," Nano Letters, 16, 781-785, (2016) (Link)

Makarova O. V., Adams D. L., Divan R. S., Rosenmann D., Zhu P., Li S., Amstutz P., and Tang C., "Polymer Microfilters with Nanostructured Surfaces for the Culture of Circulating Cancer Cells," Mat. Sci. Eng. C, 66, 193-198, (2016) (Link)

Mane A. U., Allen A. J., Kanjolia R. K., and Elam J. W., "Indium Oxide Thin Films by Atomic Layer Deposition Using Trimethylindium and Ozone," J. Phys. Chem. C, 120, 9874-9883, (2016) (Link)

Mccarthy R. F., Weimer M. S., Haasch R. T., Schaller R. D., Hock A. S., and Martinson A. B., "Vxln(2-x)S3 Intermediate Band Absorbers Deposited by Atomic Layer Deposition," Chem. Mater., 28, 2033-2040, (2016) (Link)

Mcelhinny K. M., Gopalakrishnan G., Savage D. E., Czaplewski D. A., Lagally M. G., Holt M. V., and Evans P. G., "Synchrotron X-ray Thermal Diffuse Scattering Probes for Phonons in Si/SiGe/Si Trilayer Nanomembranes," MRS Advances, (2016) (Link)

Mcfarland E. W., and Metiu H. I., "Catalysis by Doped Oxides," Chem. Rev., 113, 4391-4427, (2016) (Link)

Mei Z., Liang L., Kim Y., Wiencek T., O'hare E., Yacout A. M., Hofman G., and Anitescu M., "Grain Growth in U-7Mo Alloy: A Combined First-principles and Phase Field Study," J. Nucl. Mater., 473, 300-308, (2016) (Link)

Mei Z., Yacout A., Kim Y., Hofman G., and Stan M., "First-principles Study of Transition-metal Nitrides as Diffusion Barriers Against Al," J. Nucl. Mater., 471, 208-213, (2016) (Link)

Merte L., Bai Y., Zeuthen H., Peng G., Lammich L., Besenbacher F., Mavrikakis E., and Wendt S., "Identification of O-rich Structures on Platinum(111)-supported Ultrathin Iron Oxide Films," Surf. Sci., 652, 261-268, (2016) (Link)

Miller D. J., Sheng H., Wang L., Wen J., Lu J., Amine K., Gilbert J. A., Klett M., Bareno J., Maroni V. A., and Abraham D. P., "Microstructural Evolution in Transition-metal-oxide Cathode Materials for Lithium-Ion Batteries," Microscopy and Microanalysis, 22, 1300-1301, (2016) (Link)

Ming Z., Figueroa-cosme L., Elnabawy A. O., Vara M., Yang X., Roling L. T., Chi M., Mavrikakis E., and Xia Y., "Synthesis and Characterization of Ru Cubic Nanocages with a Face-Centered Cubic Structure by Templating with Pd Nanocubes," Nano Letters, 16, 5310-5317, (2016) (Link)

Mishra R., Kim Y., He Q., Huang X., Kim S., Susner M. A., Bhattacharya A., Fong D. D., Pantelides S. T., and Borisevich A. Y., "Towards Spin-polarized Two-dimensional Electron Gas at a Surface of an Antiferromagnetic Insulating Oxide," Phys. Rev. B, 94, 045123, (2016) (Link)

Montemore M. M., Andreussi O., and Medlin J. W., "Hydrocarbon Adsorption in an Aqueous Environment: A Computational Study of Alkyls on Cu(111)," J. Chem. Phys., 145, 074702, (2016) (Link)

Moonshiram D., Guda A., Kohler L., Picon A., Guda S., Lehmann S., Zhang X., Southworth S. H., and Mulfort K. L., "Mechanistic Evaluation of a Nickel Proton Reduction Catalyst Using Time-Resolved X-ray Absorption Spectroscopy," J. Phys. Chem. C, 120, 20049-20057, (2016) (Link)

Mussell S. P., and Choudhury P., "Density Functional Theory Study of Iron Phthalocyanine Porous Layer Deposited on Graphene Substrate: A Pt-Free Electrocatalyst for Hydrogen Fuel Cells," J. Phys. Chem. C, 120, 5384-5391, (2016) (Link)

Back to top

N

Narayanan B., Deshmukh S. A., Shrestha L., Ariga K., Pol V. G., and Sankaranarayanan S., "Cavitation and Radicals Drive the Sonochemical Synthesis of Functional Polymer Spheres," Appl. Phys. Lett., 109, 041901, (2016) (Link)

Narayanan B., Kinaci A., Sen F. G., Davis M. J., Gray S. K., Chan M. K., and Sankaranarayanan S., "Describing the Diverse Geometries of Gold from Nanoclusters to Bulk-A First-Principles-Based Hybrid Bond-Order Potential," J. Phys. Chem. C, 120, 13787-13800, (2016) (Link)

Narayanan B., Sasikumar K., Mei Z., Kinaci A., Sen F. G., Davis M. J., Gray S. K., Chan M. K., and Sankaranarayanan S., "Development of a Modified Embedded Atom Force Field for Zirconium Nitride Using Multi-Objective Evolutionary Optimization," J. Phys. Chem. C, 120, 17475-17483, (2016) (Link)

Nayak S., Zhang H., Liu X., Feng S., Palo P., Nilsen-hamilton M., Akinc M., and Mallapragada S. K., "Protein Patterns Template Arrays of Magnetic Nanoparticles," RCS Adv., 6, 57048-57056, (2016) (Link)

Back to top

P

Pan B., Zhou D., Huang J., Zhang L., Burrell A. K., Vaughey J. T., Zhang Z., and Liao C., "2,5-Dimethoxy-1,4-Benzoquinone (DMBQ) as Organic Cathode for Rechargeable Magnesium-Ion Batteries," J. Electrochem. Soc., 163, A580-A583 , (2016) (Link)

Park J., Ahn Y., Tilka J. A., Sampson K. C., Savage D. E., Prance J. R., Simmons C. B., Lagally M. G., Coppersmith S. N., Eriksson M. A., Holt M. V., and Evans P. G., "Electrode-stress-induced Nanoscale Disorder in Si Quantum Electronic Devices ," APL Materials, 4, 066102 , (2016) (Link)

Paskiewicz D. M., Sichel-tissot R. J., Karapetrova E., Stan L., and Fong D. D., "Single-Crystalline SrRuO3 Nanomembranes: A Platform for Flexible Oxide Electronics," Nano Letters, 16, 534-542, (2016) (Link)

Peng R., Wu C., Baltrusaitis J., Dimitrijevic N. M., Rajh T., and Koodali R. T., "Solar Hydrogen Generation Over CdS Incorporated in Ti-MCM-48 Mesoporous Materials Under Visible Light Illumination," Intl. J. Hydrogen Energy, 41, 4106-4119, (2016) (Link)

Phatak C. M., Heinonen O. G., De Graef M., and Petford-long A. K., "Nanoscale Skyrmions in a Nonchiral Metallic Multiferroic: Ni2MnGa," Nano Letters, 16, 4141-4148, (2016) (Link)

Phatak C. M., Petford-long A. K., and De Graef M., "Recent Advances in Lorentz Microscopy," Curr. Opin. Solid State and Mat. Science, 20, 107-114, (2016) (Link)

Pilger F., Testino A., Carino A., Proff C., Kambolis A., Cervellino A., and Ludwig C., "Size Control of Pt Clusters on CeO2 Nanoparticles via an Incorporation-Segregation Mechanism and Study of Segregation Kinetics," ACS Catal., 6, 3688-3699, (2016) (Link)

Plauck A. D., Stangland E. E., Dumesic J. A., and Mavrikakis E., "Active Sites and M+echanisms for H2O2 Decomposition Over Pd Catalysts ," Proc. Natl. Acad. Sci. USA, 113, E1973-E1982, (2016) (Link)

Posada Arbelaez C. M., Ade P. A., Anderson A. J., Avva J., Ahmed Z., Arnold K. S., Austermann J., Bender A. N., Benson B. A., Bleem L., Byrum K., Carlstrom J. E., Carter F. W., Chang C., Cho H., Cukierman A., Czaplewski D. A., Ding J., Divan R. S., De Haan T., Dobbs M., Dutcher D., Everett W., Gannon R. N., Guyser R. J., Halverson N. W., Harrington N. L., Hattori K., Henning J. W., Hilton G. C., Holzapfel W. L., Huang N., Irwin K. D., Jeong O., Khaire T., Korman M., Kubik D. L., Kuo C., Lee A. T., Leitch E. M., Escudero S. L., Meyer S. S., Miller C. S., Montgomery J., Nadolski A., Natoli T. J., Nguyen H., Novosad V., Padin S., Pan Z., Pearson J. E., Rahlin A., Reichardt C. L., Ruhl J. E., Saliwanchik B., Shirley I., Sayre J. T., Shariff J. A., Shirokoff E. D., Stan L., Stark A. A., Sobrin J., Story K., Suzuki A., Tang Q. Y., Thakur R. B., Thompson K. L., Tucker C. E., Vanderlinde K., Vieira J. D., Wang G., Whitehorn N., Yefremenko V. G., and Yoon K., "Large Arrays of Dual-polarized Multichroic TES Detectors for CMB Measurements with the SPT-3G Receiver," Proc. SPIE 9914, Millimeter, Submillimeter, and Far-Infrared Detectors and Instrumentation for Astro;, [9914], edited by Wayne S. Holland; Jonas Zmuidzinas, (SPIE), (2016) (Link)

Back to top

R

Rangarajan S., and Mavrikakis E., "DFT Insights into the Competitive Adsorption of Sulfur- and Nitrogen-Containing Compounds and Hydrocarbons on Co-Promoted Molybdenum Sulfide Catalysts," ACS Catal., 6, 2904-2917, (2016) (Link)

Riha S. C., Koegel A. A., Meng X., Kim I., Cao Y., Pellin M. J., Elam J. W., and Martinson A. B., "Atomic Layer Deposition of MnS: Phase Control and Electrochemical Applications," ACS Applied Materials & Interfaces, 8, 2774-2780, (2016) (Link)

Rothwell S. L., Wang F., Liu G., Xu C., Feldman L. C., Conrad E. H., Guisinger N. P., and Cohen P. I., "Landau Level Splitting in Nitrogen-seeded Epitaxial Graphene," Carbon, 103, 299-304, (2016) (Link)

Ryder C. R., Wood J. D., Wells S. A., Yang Y., Jariwala D. M., Marks T. J., Schatz G. C., and Hersam M. C., "Covalent Functionalization and Passivation of Exfoliated Black Phosphorus via Aryl Diazonium Chemistry," Nature Chemistry, 8, 597-602, (2016) (Link)

Back to top

S

Sa N., Wang H., Proffit D. L., Lipson A. L., Key B., Liu M., Feng Z., Fister T. T., Ren Y., Sun C., Vaughey J. T., Fenter P. A., Persson K. A., and Burrell A. K., "Is Alpha-V2O5 a Cathode Material for Mg Insertion Batteries?," Journal of Power Sources, 323, 44-50, (2016) (Link)

Sakata K., Magyari-kope B., Gupta S., Nishi Y., Blom A., and Deak P., "The Effects of Uniaxial and Biaxial Strain on the Electronic Structure of Germanium," Calcif. Tissue Int., 112, 263-268, (2016) (Link)

Sankarasubramanian S., Singh N., Mizuno F., and Prakash J., "Ab Initio Investigation of the Oxygen Reduction Reaction Activity on Noble Metal (Pt, Au, Pd), Pt3M (M = Fe, Co, Ni, Cu) and Pd3M (M = Fe, Co, Ni, Cu) Alloy Surfaces, for Lisingle BondO2 Cells," J. Power Sources, 319, 202-209, (2016) (Link)

Sartorello G., Olivier N., Zhang J., Yue W., Gosztola D. J., Wiederrecht G. P., Wurtz G. A., and Zayats A. V., "Ultrafast Optical Modulation of Second- and Third-Harmonic Generation from Cut-Disk-Based Metasurfaces," ACS Photonics, 3, 1517-1522, (2016) (Link)

Scaranto J., and Mavrikakis E., "Density Functional Theory Studies of HCOOH Decomposition on Pd(111)," Surf. Sci., 650, 111-120, (2016) (Link)

Scaranto J., and Mavrikakis E., "HCOOH Decomposition on Pt(111): A DFT Study," Surf. Sci., 648, 201-211, (2016) (Link)

Segal-peretz T., Zhou C., Ren J., Dazai T., Ocola L. E., Divan R. S., and Nealey P. F., " Three Dimensional Assembly in Directed Self-assembly of Block Copolymers," Journal of Photopolymer Science and Technology, 29, 653-657, (2016) (Link)

Shuck C. E., Frazee M. A., Gillman A. S., Beason M. T., Gunduz I. E., Matois K., Winarski R. P., and Mukasyan A. S., " X-ray Nanotomography and Focused-ion-beam Sectioning for Qu-antitative Three-dimensional Analysis of Nanocomposites," J. Synchrotron Rad., 23, 990-996, (2016) (Link)

Singh H., Ramirez G., Eryilmaz O. L., Greco A., Doll G., and Erdemir A., "Fatigue Resistant Carbon Coatings for Rolling/sliding Contacts," Tribol. Int., 98, 172-178, (2016) (Link)

Sklenar J. N., Zhang W., Jungfleisch M., Jiang W., Saglam H., Pearson J. E., Ketterson J. B., and Hoffmann A. F., "Spin Hall Effects in Metallic Antiferromagnets - Perspectives for Future Spin-orbitronics ," AIP Advances, 6, 055603, (2016) (Link)

Smerdon J. A., Giebink N. C., Guisinger N. P., Darancet P. T., and Guest J. R., "Large Spatially-resolved Rectification in a Donor-acceptor Molecular Heterojunction," Nano Letters, 16, 2603-2607, (2016) (Link)

Smith K. A., Parrish R., Wei W., Liu Y., Li T., Hu Y., and Xiong H. N., "Disordered 3 D Multi-layer Graphene Anode Material from CO2 for Sodium-Ion Batteries," ChemSusChem, 9, 1397-1402, (2016) (Link)

Sturza M. I., Bugaris D. E., Malliakas C. D., Han F., Chung D., and Kanatzidis M. G., "Mixed Valent NaCu4Se3: A Two-Dimensional Metal," Inorg. Chem., 55, 4884-4890, (2016) (Link)

Su X., Lin C., Wang X., Maroni V. A., Ren Y., Johnson C. S., and Lu W., "A New Strategy to Mitigate the Initial Capacity Loss of Lithium Ion Batteries," J. Power Sources, 324, 150-157, (2016) (Link)

Sum H., Kennouche D. O., Yakal-kremski K. J., Suzuki T., Barnett S. A., Miller D. J., Yamaguchi T., Hamamoto K., and Yoshinobu Fujishiro Y., "Electrochemical and Microstructural Properties of Ni-(Y2O3)0.08(ZrO2)0.92-(Ce0.9Gd0.1)O1.95 Anode-supported Microtubular Solid Oxide Fuel Cells," Solid State Ionics, 285, 227-233, (2016) (Link)

Back to top

T

Tang J., and Liu B., "Reactivity of the Fe2O3(0001) Surface for Methane Oxidation: A GGA + U Study," J. Phys. Chem. C, 120, 6642-6650, (2016) (Link)

Tilka J. A., Park J., Ahn Y., Pateras A., Sampson K. C., Savage D. E., Prance J. R., Simmons C. B., Coppersmith S. N., Eriksson M. A., Agally M. G., Holt M. V., and Evans P. G., "Combining Experiment and Optical Simulation in Coherent X-ray Nanobeam Characterization of Si/SiGe Semiconductor Heterostructures ," J. Appl. Phys., 120, 015304-1-015304-7, (2016) (Link)

Townsend J. P., Tsuchiya J., Bina C. R., and Jacobsen S. D., "Water Partitioning Between Bridgmanite and Postperovskite in the Lowermost Mantle," Earth Planet Sci. Lett., 454, 20-27, (2016) (Link)

Tracey S. A., Xu L., Mavrikakis E., and Schauer J. J., "Heterogeneous Reduction Pathways for Hg(II) Species on Dry Aerosols: A First-Principles Computational Study," J. Phys. Chem. A, 120, 2106-2113, (2016) (Link)

Back to top

U

Ulvestad A. P., Sasikumar K., Kim J., Harder R. J., Maxey E., Clark J. N., Narayanan B., Deshmukh S. A., Ferrier N., Mulvaney P., Sankaranarayanan S., and Shpyrko O. G., "In-situ 3D Imaging of Catalysis Induced Strain in Gold Nanoparticles," J. Phys. Chem. Lett., 7, 3008-3013, (2016) (Link)

Back to top

V

Vissers D. R., Isheim D., Zhan C., Chen Z., Lu J., and Amine K., "Understanding Atomic Scale Phenomena within the Surface Layer of a Long-term Cycled 5 V Spinel Electrode," Nano Energy, 19, 297-306, (2016) (Link)

Vlaminck V. E., Yanez Parreno W. J., Hoffman J. D., Hoffmann A. F., and Niebieskikwiat D., "Tailoring Transport Properties of Phase-separated Manganite Films with Ordered Magnetic Nanostructures," Phys. Rev. B, 94, 064404, (2016) (Link)

Back to top

W

Wang Y. L., Thoutam L., Xiao Z. L., Shen B., Pearson J. E., Divan R. S., Ocola L. E., Crabtree G. W., and Kwok W., "Enhancing Superconducting Critical Current by Randomness," Phys. Rev. B, 93, 045111, (2016) (Link)

Wang Y., Xiao Z., Snezhko A., Xu J., Ocola L. E., Divan R. S., Pearson J. E., Crabtree G. W., and Kwok W., "Rewritable Artificial Magnetic Charge Ice," Science, 352, 962-966, (2016) (Link)

Wang Z., Raval Y., Tzeng T. R., Booth B., Flaherty B., Petreson D., Moore J., Rosenmann D., Divan R. S., Yu G., and Wang P., "Time Domain Detection and Differentiation of Single Particles and Cells with a Radio Frequency Interferometer," EEE Topical Conf. on Biomedical Wireless Technologies, Networks, and Sensing Systems (BioWireleSS);, (IEEE), (2016) (Link)

Warburton R. E., Iddir H., Curtiss L. A., and Greeley J. P., "Thermodynamic Stability of Low- and High-Index Spinel LiMn2O4 Surface Terminations," ACS Applied Materials & Interfaces, 8, 11108-11121, (2016) (Link)

Wibowo A. C., Malliakas C. D., Li H., Stoumpos C. C., Chung D., Wessels B. W., Arthur F. J., and Kanatzidis M. G., "An Unusual Crystal Growth Method of the Chalcohalide Semiconductor, β-Hg3S2Cl2: a New Candidate for Hard Radiation Detection," Cryst. Growth Des., 16, 2678-2684, (2016) (Link)

Wu G., Liu X., Chen X., Suh H., Li X., Ren J., Arges C. G., Li F., Jiang Z., and Nealey P. F., "Directed Self-Assembly of Hierarchical Supramolecular Block Copolymer Thin Films on Chemical Patterns ," Adv. Mater. Interfaces, 3, 1600048, (2016) (Link)

Wu S. M., Zhang W., Kc A., Borisov P., Pearson J. E., Jiang J., Lederman D., Hoffmann A. F., and Bhattacharya A., "Antiferromagnetic Spin Seebeck Effect ," Phys. Rev. Lett., 116, 097204, (2016) (Link)

Wu Y., Li L., Li Z., Kinaci A., Chan M. K., Sun Y., Guest J. R., Mcnulty I. L., Rajh T., and Liu Y., "Visualizing Redox Dynamics of a Single Ag/AgCl Heterogeneous Nanocatalyst at Atomic Resolution," ACS Nano, 10, 3738-3746, (2016) (Link)

Back to top

X

Xie F., Nguyen H., Leblanc H., Hughes L., Wang J., Wen J., Miller D. J., and Lascola K., "Long Term Reliability Study and Life Time Model of Quantum Cascade Lasers," Appl. Phys. Lett., 109, 121111, (2016) (Link)

Xie L., Zhao Q., Jensen K. F., and Kulik H. J., "Direct Observation of Early-Stage Quantum Dot Growth Mechanisms with High-Temperature Ab Initio Molecular Dynamics," J. Phys. Chem. C, 120, 2472-2483, (2016) (Link)

Xin L., Yang F., Rasouli S., Qiu Y., Li Z., Uzunoglu A., Sun C., Liu Y., Ferreira P., Li W., Ren Y., Stanciu L. A., and Xie J., "Understanding Pt Nanoparticle Anchoring on Graphene Supports through Surface Functionalization," ACS Catal., 6, 2642-2653, (2016) (Link)

Xu L., Yao X., Khan A., and Mavrikakis E., "Chloroform Hydrodechlorination over Palladium-Gold Catalysts: A First-Principles DFT Study," ChemCatChem, 8, 1739-1746, (2016) (Link)

Back to top

Y

Yan D., Cecil T. W., Gades L. M., Jacobsen C. J., Madden T., and Miceli A., "Processing of X-ray Microcalorimeter Data with Pulse Shape Variation using Principal Component Analysis," J. Low Temp. Phys., 184, 397-404, (2016) (Link)

Yang G., Fragner A., Koolstra G., Ocola L. E., Czaplewski D. A., Schoelkopf R. J., and Schuster D. I., "Coupling an Ensemble of Electrons on Superfluid Helium to a Superconducting Circuit," Phys. Rev. X, 6, 011031, (2016) (Link)

Yeh Y., Gorte R. J., Rangarajan S., and Mavrikakis E., "Adsorption of Small Alkanes on ZSM-5 Zeolites: Influence of Bronsted Sites," J. Phys. Chem. C, 120, 12132-12138, (2016) (Link)

Young J. A., and Rondinelli J. M., "Octahedral Rotation Preferences in Perovskite Iodides and Bromides," J. Phys. Chem. Lett., 7, 918-922, (2016) (Link)

Yu H., Young J., Wu H., Zhang W., Rondinelli J. M., and Halasyamani P. S., "Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2014 Family," J. Am. Chem. Soc., 138, 4984-4989, (2016) (Link)

Yu H., Zhang W., Young J. A., Rondinelli J. M., and Halasyamani P., "Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14," J. Am. Chem. Soc., 138, 88-91, (2016) (Link)

Back to top

Z

Zeng H., Jarvik R., Catausan G. R., Moldovan N. A., and Carlisle J. A., "Diamond Coated Artificial Cardiovascular Devices," Surf. Coat. Tech., 302, 420-425, (2016) (Link)

Zeng H., Yin W., Catausan G. R., Moldovan N. A., and Carlisle J. A., "Ultrananocrystalline Diamond Integration with Pyrolytic Carbon Components of Mechanical Heart Valves," Diamond and Related Materials, 61, 97-101, (2016) (Link)

Zeng X., Xu G., Li Y., Luo X., Maglia F., Bauer C. A., Lux S., Paschos O., Kim S., Lamp P., Lu J., Amine K., and Chen Z., "Kinetic Study of Parasitic Reactions in Lithium-Ion Batteries: A Case Study on LiNi0.6Mn0.2Co0.2O2," ACS Applied Materials & Interfaces, 8, 3446-3451, (2016) (Link)

Zeng Z., Natesan K., Cai Z., and Rink D. L., "Effects of Calcium in Ash on the Corrosion Performance of Ni-based Alloys in Simulated Oxy-fuel Environment," FUEL, 178, 10-22, (2016) (Link)

Zhang J., Das A., Surendran Assary R., Curtiss L. A., and Weitz E., "A Combined Experimental and Computational Study of the Mechanism of Fructose Dehydration to 5-hydroxymethylfurfural in Dimethylsulfoxide using Amberlyst 70, PO43-/niobic Acid, or Sulfuric Acid Catalysts," Appl. Catal. B: Env., 181, 874-887, (2016) (Link)

Zhang J., Papai M., Hirsch A., Jennings G., Kurtz C. A., Moller K. B., Lomoth R., Gosztola D. J., Zhang X., and Canton S. E., "Elucidating the Ultrafast Dynamics of Photoinduced Charge Separation in Metalloporphyrin-Fullerene Dyads Across the Electromagnetic Spectrum," J. Phys. Chem. C, 120, 19537-19546, (2016) (Link)

Zhang S., Petford-long A. K., and Phatak C. M., "Creation of Artificial Skyrmions and Antiskyrmions by Anisotropy Engineering," Scientific Reports, 648, 31248 , (2016) (Link)

Zhang W., Sklenar J. N., Hsu B. S., Jiang W., Jungfleisch M., Xiao J., Fradin F. Y., Liu Y., Pearson J. E., Ketterson J. B., Yang Z., and Hoffmann A. F., "Research Update: Spin Transfer Torques in Permalloy on Monolayer MoS2 ," APL Materials, 4, 032302, (2016) (Link)

Zhao Z., Kulkarni A. R., Vilella L., Norskov J. K., and Studt F., "Theoretical Insights into the Selective Oxidation of Methane to Methanol in Copper-Exchanged Mordenite," ACS Catal., 6, 3760-3766, (2016) (Link)

Zhou G., Chang J., Pu H., Shi K., Mao S., Sui X., Ren R., Cui S., and Chen J., "Ultrasensitive Mercury Ion Detection Using DNA-Functionalized Molybdenum Disulfide Nanosheet/Gold Nanoparticle Hybrid Field-Effect Transistor Device," ACS Sens., 1, 295-302, (2016) (Link)

Zhou Z., Grocke G. L., Yanguas-gil A., Wang X., Gao Y., Sun N., Howe B., and Chen X., "CoFe2/AI2O3/PMNPT Multiferroic Heterostructures by Atomic Layer Deposition ," Appl. Phys. Lett., 108, 182907, (2016) (Link)

Zhu Y., Cai Z., Chen P., Zhang Q., Highland M. J., Jung I., Walko D. A., Dufresne E. M., Jeong J., Samant M. G., Parkin S. S., Freeland J. W., Evans P. G., and Wen H., "Mesoscopic Structural Phase Progression in Photo-excited VO2 Revealed by Time-resolved X-ray Diffraction Microscopy," Scientific Reports, 6, 21999 , (2016) (Link)