Peer-Reviewed Publications

2013

Solely Supported by CEES

C. J. Barile and A. A. Gewirth, “Investigating the Li-O2 Battery in an Ether-Based Electrolyte Using Differential Electrochemical Mass Spectrometry Batteries and Energy Storage,” J. Electrochem. Soc., 160(4), A549–A552 (2013).

J. Bhattacharya and C. Wolverton, “Relative Stability of Normal vs. Inverse Spinel for 3d Transition Metal Oxides as Lithium Intercalation Cathodes,” Phys. Chem. Chem. Phys., 17, 6486–6498 (2013).

B. J. Blaiszik, A. R. Jones, N. R. Sottos, and S. R. White, “Microencapsulation for a Liquid Metal for Self-Healing Applications.” J. Microencapsulation, (2013), submitted.

D. J. Comstock and J. W. Elam , “Mechanistic Study of Lithium Aluminum Oxide Atomic Layer Deposition,” J. Phys. Chem. C, 117(4), 1677–1683 (2013).

T. T. Fister, J. Goldman, B. Long, R. Nuzzo, A. Gewirth, and P. Fenter, “X-ray Diffraction Microscopy of Lithiated Silicon Microstructures,” Appl. Phys. Lett., 102, 131903 (2013).

J. L. Goldman, M. W. Cason, D. J. Wetzel, H. Vieker, A. Beyer, A. Gölzhauser, A. A. Gewirth, and R. G. Nuzzo, “Strain Evolution and Electrochemical Rate Capabilities in Micropore-modified Encapsulated Silicon Electrodes,” submitted for review.

L. A. Huff, J. L. Rapp, L. Zhu, and A. A. Gewirth, “Identifying Lithium-Air Battery Discharge Products through 6Li Solid-State MAS and 1H-13C Solution NMR Spectroscopy,” J. Power Sources, 235, 87–94 (2013).

J. Kaitz and J. S. Moore, “Functional Phthalaldehyde Polymers by Copolymerization with Substituted Benzaldehydes,” Macromolecules, 46, 608–612 (2013).

S. Kirklin, B. Meredig, and C. Wolverton, “High-Throughput Computational Screening of New Li-Ion Battery Anode Materials,” Adv. Energy Mater., 3, 252–262 (2013).

A. L. Lipson and M. C. Hersam, “Conductive Scanning Probe Characterization and Nanopatterning of Electronic and Energy Materials,” J. Phys. Chem. C, (2013).

V. G. Pol, J. Wen, K. C. Lau, S. Callear, D. T. Bowron, C.-K. Lin, S. A. Deshmukh, S. Sankaranarayanan, L. A. Curtiss, W. I. F. David, D. J. Miller, and M. M. Thackeray, “Probing the Evolution and Morphology of Hard Carbon Spheres,” Carbon, (2013), submitted.

H. Tavassol, M. K. Y. Chan, M. Catarello, J. P. Greeley, D. G. Cahill, and A. A. Gewirth, “Surface Coverage and SEI Induced Electrochemical Surface Stress Changes during Li Deposition in Li-ion Battery Anodes,” J. Electrochem. Soc, 160(6), A888–A896 (2013).

W. Weng, Z. Zhang, J. A. Schlueter, and K. Amine, “Synthesis and Electrochemical Property of Sulfone-functionalized Imidazolium Ionic Liquid Electrolytes,” Electrochim. Acta, 92, 392–396 (2013).

W. Weng, V. G. Pol, and K. Amine, “Ultrasound Assisted Design of Sulfur/Carbon Cathodes with Partially Fluorinated Ether Electrolytes for Highly Efficient Li/S Batteries,” Adv. Mater., 25, 1608–1615 (2013).

Supported by CEES and Other Agencies

A. Abouimrane, S. A. Odom, H. Tavassol, M. V. Schulmerich, H. Wu, R. Bhargava, A. A. Gewirth, J. S. Moore, and K. Amine, “3-Hexylthiophene as a Stabilizing Additive for High Voltage Cathodes in Lithium-Ion Batteries,” J. Electrochem. Soc., 160, A268–A271 (2013).

R. S. Assary, J. Lu, P. Du, X. Luo, Z. Zhang, Y. Ren, L. A. Curtiss, and K. Amine, “Oxygen Crossover Effect at the Anode of a Li-O2 Battery Using an Ether-based Solvent: New Insights from Density Functional Studies and In-situ/Ex-situ Measurements,” ChemSusChem, 6, 51–55 (2013).

C. M. Berg and D. D. Dlott, “Vibrational Sum-Frequency Generation Spectroscopy of Interfacial Dynamics.” In Vibrational Spectroscopy of Electrically-Charged Interfaces; Wieckowski, A., Korzeniewski, C., Braunschweig, B., Eds.; Wiley: Hoboken, N.J., in press (2013).

P. Du, J. Lu, K.-C. Lau, X. Luo, J. Barenõ, X. Zhang, Y. Ren, Z. Zhang, L. A. Curtiss, Y.-K.Sun, and K. Amine, “Compatibility Lithium Salts with the Solvent of the Non-aqueous Electrolyte in Li-O2 Batteries,” Phys. Chem. Chem. Phys. (2013), accepted.

T. T. Fister, P. H. Fuoss, D. D. Fong, J. A. Eastman, C. Folkman, S. O. Hruszkewycz, M. Highland, H. Zhou, and P. Fenter, “Surface Diffraction on a Psi-circle Diffractometer Using the χ-axis Geometry,” J. Appl. Crystallogr., (2013).

C. M. Folkman, M. J. Highland, E. Perret, S. K. Kim, T. T. Fister, H. Zhou, P. M. Baldo, S. Seifert, J. A. Eastman, P. H. Fuoss, and D. D. Fong, “Modular Instrument Mounting System for Variable Environment in Operando X-ray Experiments,” Rev. of Scientific Instruments, 84, 025111(1–7) (2013).

S. Grindy, B. Meredig, S. Kirklin, J. E. Saal, and C. Wolverton, “Approaching Chemical Accuracy with Density Functional Calculations: Diatomic Energy Corrections,” Phys. Rev. B, 87, 075150(1–8) (2013).

S. Hao and C. Wolverton, “Lithium Transport in Amorphous Al2O3 and AlF3 for Discovery of Battery Coatings,” J. Phys. Chem. C., (2013).

S. Kramer, B. Beiermann, S. R. White, and N. R. Sottos, “Simultaneous Observation of Phase-stepped Photoelastic Images Using Diffraction Gratings,” Proc. of the 2012 Annual Conference on Experimental and Applied Mechanics, 3, 327–332 (2013).

J. Lu, H.-G. Jung, K.-C. Lau, Z. Zhang, J. A. Schlueter, P. Du, R. S. Assary, J. Greeley, G. A. Ferguson, H.-H. Wang, J. Hassoun, H. Iddir, J. Zhou, L. Zuin, Y. Hu, Y.-K. Sun, B. SCrosati, L. A. Curtiss, and K. Amine, “Evidence for Magnetism in Lithium-O2 Discharge Product,” ChemSusChem (2013), accepted.

J. Lu, Y. Lei, K. C. Lau, X. Luo, P. Du, J. Wen, R. Assary, U. Das, D. Miller, J. W. Elam, L. A. Curtiss, and K. Amine, “A Novel Nanoscale Cathode Architecture for Low Charge Overpotentials in Li-O2 Batteries,” Nat. Mater., (2013), submitted.

G. N. Parsons, J. W. Elam, S. Haukka, H. Jeon, W. M. M. Kessels, M. Leskela, P. Poodt, M. Ritala, and S. M. Rossnagel, “History of Atomic Layer Deposition and its Relationship with the American Vacuum Society,” J. Vac. Sci. Technol., A, (2013), submitted.

M. N. Silberstein, C. M. Kingsbury, K> Min, B. Beiermann, N. Aluru, S. R. White, and N. R. Sottos, “Multiscale Modeling of Mechanoresponsive Polymers,” Proc. of the 2012 Annual Conference on Experimental and Applied Mechanics, 2, 37–39 (2013).

J. P. Townsend, Y.-Y. Chang, X. Lou, M. Merino, S. J. Kirklin, J. W. Doak, A. Issa, C. Wolverton, S. N. Tkachev, P. Dera, and S. D. Jacobsen  “Stability and equation of state of post-aragonite BaCO3,” Phys. Chem. Minerals, 40, 447–453 (2013).

L. Trahey, N. K. Karan, M. K. Y. Chan, J. Lu, Y. Ren, J. Greeley, M. Balasubramanian, A. K. Burrell, L. A. Curtiss, and M. M. Thackeray, "Synthesis, Characterization, and Structural Modeling of High-Capacity, Dual Functioning MnO2 Electrode/Electrocatalysts for Li-O2 Cells," Adv. Energy Mater., 3, 75–84 (2013).

X. Zhang, I. Belharouak, L. Li, Y. Lei, J. W. Elam, A. Nie, X. Chen, R. S. Yassar, and R. L. Axelbaum, “Structural and Electrochemical Study of Al2O3 and TiO2 Coated Li1.2Ni0.13Mn0.54Co0.13O2 Cathode Material Using ALD,” accepted by Adv. Energy Mater. (2013).

2012

Solely Supported by CEES

M. Baginska, B. J. Blaiszik, R. J. Merriman, N. R. Sottos, J. S.Moore, and S. R. White, “Autonomic Shutdown of Lithium-Ion Batteries Using Thermoresponsive Microcapsules,” Adv. Ener. Mat., 2, 583–590 (2012).

B. J. Blaiszik, S. L. B. Kramer, M. E. Grady, D. A. McIlroy, S. Kang, S. R. White, and N. R. Sottos, “Autonomic Restoration of Electrical Conductivity,” Adv. Mater., 24, 398–401 (2012).

M. Chan, C. Wolverton, and J. Greeley, “First Principles Simulations of the Electrochemical Lithiation and Delithiation of Faceted Crystalline Silicon,” J. Am. Chem. Soc., 134(35), 14362-14374 (2012).

S. Chattopadhyay, A. L. Lipson, H. J. Karmel, J. D. Emery, T. T. Fister, P. A. Fenter, M. C. Hersam, and M. J. Bedzyk, “In Situ X-ray Study of the Solid Electrolyte Interphase (SEI) Formation on Graphene as a Model Li-ion Battery Anode,” Chem. Mater., 24(15), 3038–3043 (2012).

D. J. Comstock and J. W. Elam, “Atomic Layer Deposition of Ga2O3 Films Using Trimethylgallium and Ozone,” Chem. Mater., 24, 4011–4018 (2012).

D. J. Comstock, J. W. Elam, M. J. Pellin, and M. C. Hersam, “High Aspect Ratio Nanoneedle Probes with an Integrated Electrode at the Tip Apex,” Rev. Sci. Instrum., 83, 113704 (2012).

T. Fister, B. Long, A. Gewirth, B. Shi, S-S. Lee, L. Assoufid, and P. Fenter, “Real-Time Observations of Interfacial Lithiation in a Metal Silicide Thin Film,” J. Phys Chem. C, 116, 22341–22345 (2012).

C. M. Hayner, X. Zhao, and H. H. Kung, “Materials for Rechargeable Lithium Ion Batteries,” Ann. Rev. Chem. Biomolec. Eng., 3, 445–471 (2012).

L. Jaber-Ansari and M. C. Hersam, “Solution-processed Graphene Materials and Composites,” MRS Bull., 37, 1167–1175 (2012).

A. L. Lipson, S. Chattopadhyay, H. J. Karmel, T. T. Fister, J. D. Emery, V. P. Dravid, M. M. Thackeray, P. A. Fenter, M. J. Bedzyk, and M. C. Hersam, “Enhanced Lithiation of Doped 6H Silicon Carbide (0001) via High Temperature Vacuum Growth of Epitaxial Graphene,” J. Phys. Chem. C, 116, 20949 (2012).

P. Mukherjee, A. Lagutchev, and D. D. Dlott, “In Situ Probing of Solid-Electrolyte Interfaces with Nonlinear Coherent Vibrational Spectroscopy,” J. Electrochem. Soc., 159, A244–A252 (2012).

P. Mukherjee, A. Lagutchev, and D. D. Dlott, “Solid Electrolyte Interfaces and Interphases in Lithium Batteries: In Situ Studies Using Nonlinear Optical Probes,” MRS Online Proceedings Library, 1388(1–6) (2012).

V. Pol, J. M. Calderon-Moreno, and M. M. Thackeray, “Autogenic Synthesis of SnO₂ Materials and Their Structural, Electrochemical, and Optical Properties,” J. Solid State Chem., 196, 21–28 (2012).

W. Weng, Z. Zhang, A. Abouimrane, P. C. Redfern, L. A. Curtiss, and K. Amine, “Smart Polymeric Cathode Material with Intrinsic
Overcharge Protection Based on a 2,5-Di- tert -butyl-1,4-dimethoxybenzene Core Structure,” Adv. Func. Mater., 22(21), 4485–4492 (2012).

X. Zhao, C. M. Hayner, M. C. Kung, and H. H. Kung, “Photothermal-assisted Fabrication of Iron Fluoride/Graphene Composite Paper Cathodes for High-energy Lithium-ion Batteries,” Chem. Comm., 46, 9909–9911 (2012).

Supported by CEES and Other Agencies

N. K. Karan, M. Balasubramanian, T. T. Fister, A. K. Burrell, and P. Du, “Bulk-sensitive Characterization of the Discharged Products in Li-O2 Batteries by Non-resonant Inelastic X-ray Scattering,” J. Phys. Chem. C., 116, 18132–18138 (2012).

S. Kramer, B. Beiermann, D. Davis, N. R. Sottos, S. R. White, and J. S. Moore, “Characterization of Mechanochemically Active Polymers Using Combined Photoelasticity and Fluorescence Measurements,” Proc. of the 2011 Annual Conference on Experimental and Applied Mechanics, 4, 167–178 (2012).

Y. Lei, J. Lu, Y. Qin, T. Wu, X. Zhang, P. Du, J. Lu, Y. Ren, J. Miller, J. Elam, and K. Amine, “Synthesis of Porous Carbon Supported Palladium Nanoparticle Catalysts by Atomic Layer Deposition: Application for Rechargeable Lithium-Air Battery,” submitted to Adv. Func. Mater. (2012).

J. Luo, X. Zhao, J. Wu, H. D. Jang, H. Kung, and J. Huang, “Crumpled Graphene-Encapsulated Si Nanoparticles for Lithium Ion Battery Anodes,” J. Phys. Chem. Lett., 3 (13), 1824–1829 (2012).

S. A. Odom, S. Chayanupatkul, B. J. Blaiszik, O. Zhao, A. C. Jackson, P. V. Braun, N. R. Sottos, S. R. White, and J. S. Moore, “A Self-healing Conductive Ink,” Adv. Mater., 24, 2578–2581 (2012).

S. A. Odom, T. P. Tyler, M. M. Caruso, J. A. Ritchey, M. V. Schulmerich, S. J. Robinson, R. Bhargava, N. R. Sottos, S. R. White, M. C. Hersam, and J. S. Moore, “Autonomic Restoration of Electrical Conductivity using Polymer-stabilized Carbon Nanotube and Graphene Microcapsules,” Appl. Phys. Lett., 101, 043106 (2012).

D. Shin, C. Wolverton, J. R. Croy, M. Balasubramanian, S.-H. Kang, C. M. Lopez Rivera, and M. M. Thackeray, “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 (2012).

H. Tavassol, J. W. Buthker, G. A. Ferguson, L. A. Curtiss, and A. A. Gewirth, “Solvent Oligomerization during SEI Formation on Model Systems for Li-ion Battery Anodes,” J. Electrochem. Soc., 159(6), A730 (2012).

M. M. Thackeray, C. M. Wolverton and E. D. Isaacs, “Electrical Energy Storage for Transportation – Approaching the Limits of, and Going Beyond, Lithium-Ion Batteries,” Energy Environ. Sci., 5, 7854–7863 (2012).

2011

Solely Supported by CEES

M. K. Y. Chan, E. L. Shirley, N. K. Karan, M. Balasubramanian, J. P. Greeley, and T. Fister, “Structure of Lithium Peroxide,” J. Phys. Chem. Lett., 2(19) 2483–2486 (2011).

M. K. Y. Chan, B. Long, A. Gewirth and J. Greeley, “The First-cycle Electrochemical Lithiation of Crystalline Ge-Dopant and Orientation Dependence, and Comparison with Si,” J. Phys. Chem. Lett., 2, 3092 (2011).

T. T. Fister, M. Schmidt, C. S. Johnson, M. Slater, E. Shirley, M. K. Y. Chan, and P. Fenter, “Electronic Structures of Lithium Battery Interphase Compounds: Comparison between Inelastic X-ray Scattering Measurements and Theory,” J. Chem. Phys., 135, 224513 (2011).

J. L. Goldman, M. W. Cason, and R. G. Nuzzo, “Fully-Integrated High Energy and Power Density Lithium-ion Batteries Using Strain-Tolerant High Capacity Silicon Anodes,” submitted.

J. L. Goldman, B. R. Long, A. A. Gewirth, and R. G. Nuzzo, “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).

K. C. Lau, L. A. Curtiss, and J. Greeley, “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).

B. R. Long, M. K. Y. Chan, J. P. Greeley, and A. A. Gewirth, “Dopant Modulated Li Insertion in Si for Battery Anodes,” J. Phys. Chem. C, 115, 18916–18921 (2011).

X. Zhao, C. M. Hayner, M. C. Kung, and H. H. Kung, “In-Plane Vacancy-Enabled High-Power Si-Graphene Composite Electrode for Lithium-Ion Batteries,” Adv. Energy Mater., 1(6), 1079–1084 (2011).

X. Zhao, C. M. Hayner, and H. H. Kung, “Self-assembled Lithium Manganese Oxide and Carbon Nanotube/Graphene Composites as Cathode Material for High-performance Lithium-ion Batteries,” J. Mater. Chem., 21(43), 17297–17303 (2011).

X. Zhao, C. M. Hayner, M. C. Kung, and H. H. Kung, “Flexible Holey Graphene Paper Electrodes with Enhanced Rate Capability for Energy Storage Applications,” ACS Nano, 5 (11), 8739–8749 (2011).

Supported by CEES and Other Agencies

J. M. P. Alaboson, Q. H. Wang, J. D. Emery, A. L. Lipson, M. J. Bedzyk, J. W. Elam, M. J. Pellin, and M. C. Hersam, “Seeding Atomic Layer Deposition of High-k Dielectrics on Epitaxial Graphene with Organic Self-assembled Monolayers,” ACS Nano., 5, 5223 (2011).

J. W. Elam, N. P. Dasgupta, and F. B. Prinz, “ALD for Clean Energy Conversion, Utilization, and Storage,” MRS Bull., 36, 899–906, (2011).

J. D. Emery, Q. H. Wang, M. Zarrouati, P. Fenter, M. C. Hersam, and M J. Bedzyk, “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 (2011).

A. P. Esser-Kahn, S. A. Odom, N. R. Sottos, S. R. White, and J. S. Moore, “Triggered Release of Encapsulated Contents,” Macromolecules, 44, 5539–5553 (2011).

A. L. Lipson, R. S. Ginder, and M. C. Hersam, “Nanoscale In Situ Characterization of Li-ion Battery Electrochemistry via Scanning Ion Conductance Microscopy,” Adv. Mater., 23, 5613–5617 (2011).

V. G. Pol and M. M. Thackeray, “Spherical Carbon Particles and Carbon Nanotubes Prepared by Autogenic Reactions: Evaluation as Anodes in Lithium Electrochemical Cells,” Energy Environ. Sci., 4, 1904–1912 (2011).

B. A. Rosen, J. L. Haan, P. Mukherjee, B. Braunschweig, W. Zhu, A. Salehi-Khojin, D. D. Dlott, and R. I. Masel, “Metals with Cation Monolayers as Bifunctional Catalysts for CO₂ Conversion to CO,” J. Phys Chem., (2011), submitted.

L. Trahey, H. H. Kung, M. M. Thackeray, and J. T. Vaughey, “Effect of Electrode Dimensionality and Morphology on the Performance of Cu₂Sb Thin Film Electrodes for Li-Ion Batteries,” Eur. J. Inorg. Chem., 3984–3988 (2011).

W. Weng, Z. Zhang, J. Lu, and K. Amine, “A Disiloxane-functionalized Phosphonium-based Ionic Liquid as Electrolyte for Lithium-ion Batteries,” Chem. Commun., 47, 2011, 11969–11971.

2010

Solely Supported by CEES

H. Iddir and L. A. Curtiss, “Li-Ion Diffusion Mechanisms in Bulk Monoclinic Li₂CO₃ Crystal from Density Functional Studies,”J. Phys. Chem. C, 114, 20903–20906 (2010).

Supported by CEES and Other Agencies

B. J. Blaiszik, S. L. B. Kramer, S. C. Olugebefola, J. S. Moore, N. R. Sottos, and S. R. White, “Self-healing Polymers and Composites,” Annu. Rev. Mater. Res., 40, 179–211 (2010).

A. P. Esser-Kahn, N. R. Sottos, S. R. White, and J. S. Moore, “Programmable Microcapsules from Self-Immolative Polymers,” J. Am. Chem. Soc., 132, 10266–10268 (2010).

J. K. Lee, K. B. Smith, C. M. Hayner, and H. H. Kung, “Silicon Nanoparticles-Graphene Paper Composites for Li Ion Battery Anodes,” Chem. Commun., 46, 2025 (2010).

S. A. Odom, M. M. Caruso, A. D. Finke, A. R. Prokup, J. A. Ritchey, J. R. Leonard, S. R. White, N. R. Sottos, and J. S. Moore, “Restoration of Conductivity with TTF-TCNQ Charge-Transfer Salts,” Adv. Func. Mater., 20, 1721–1727 (2010).

V. G. Pol, S.-H. Kang, J. Calderon-Moreno, C. S. Johnson, and M. M. Thackeray, “Autogenic Reactions for Preparing Carbon-encapsulated, Nanoparticulate TiO₂ Electrodes for Lithium-ion Batteries,” J. Power Sources, 195, 5039–5043 (2010).

Z. Xue, A. D. Finke, and J. S. Moore, “Synthesis of Hyperbranched Poly(m-phenylene)s via Suzuki Polycondensation of a Branched AB2 Monomer,” Macromolecules, 43, 9277 (2010).

April 2013