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Found 134 results

Author Title Type [ Year

]

2015

M. W. Verbrugge, Qi, Y., Baker, D. R., and Cheng, Y. Tse, “Diffusion-Induced Stress within Core-Shell Structures and Implications for Robust Electrode Design and Materials Selection”, Electrochemical Engineering Across Scales: From Molecules to Processes, vol. 15, pp. 193–225, 2015.

S. Sun, Qi, Y., and Zhang, T. Yi, “Dissecting graphene capacitance in electrochemical cell”, Electrochimica Acta, vol. 163, pp. 296–302, 2015.

J. Pan, Cheng, Y. Tse, and Qi, Y., “General method to predict voltage-dependent ionic conduction in a solid electrolyte coating on electrodes”, Physical Review B-Condensed Matter, vol. 91, 2015.

L. Chen, Zhang, H. Wei, Liang, L. Yun, Liu, Z., Qi, Y., Lu, P., Chen, J., and Chen, L. Qing, “Modulation of dendritic patterns during electrodeposition: A nonlinear phase-field model”, Journal of Power Sources, vol. 300, pp. 376–385, 2015.

K. Jin Kim and Qi, Y., “Vacancies in Si Can Improve the Concentration-Dependent Lithiation Rate: Molecular Dynamics Studies of Lithiation Dynamics of Si Electrodes”, Journal of Physical Chemistry C, vol. 119, pp. 24265–24275, 2015.

2014

J. Chen, Sun, T., Qi, Y., and Li, X., “A coupled penetration-tension method for evaluating the reliability of battery separators”, ECS Electrochemistry Letters, vol. 3, 2014.

J. Chen, Yan, Y., Sun, T., Qi, Y., and Li, X., “Deformation and fracture behaviors of microporous polymer separators for lithium ion batteries”, RSC Advances, vol. 4, pp. 14904–14914, 2014.

M. E. Stournara, Qi, Y., and Shenoy, V. B., “From Ab initio calculations to multiscale design of Si/C core-shell particles for Li-ion anodes”, Nano Letters, vol. 14, pp. 2140–2149, 2014.

J. D. Nicholas, Qi, Y., Bishop, S. R., and Mukherjee, P. P., “Introduction to mechano-electro-chemical coupling in energy related materials and devices”, Journal of the Electrochemical Society, vol. 161, pp. Y11–Y12, 2014.

Y. Qi, Hector, L. G., James, C., and Kim, K. Jin, “Lithium concentration dependent elastic properties of battery electrode materials from first principles calculations”, Journal of the Electrochemical Society, vol. 161, pp. F3010–F3018, 2014.

D. J. Oliver, Paul, W., M. Ouali, E., Hagedorn, T., Miyahara, Y., Qi, Y., and Grütter, P. H., “One-to-one spatially matched experiment and atomistic simulations of nanometre-scale indentation”, Nanotechnology, vol. 25, 2014.

F. G. Sen, Alpas, A. T., Van Duin, A. C. T., and Qi, Y., “Oxidation-assisted ductility of aluminium nanowires”, Nature Communications, vol. 5, 2014.

J. Chen, Yan, Y., Sun, T., Qi, Y., and Li, X., “Probing the roles of polymeric separators in lithium-ion battery capacity fade at elevated temperatures”, Journal of the Electrochemical Society, vol. 161, 2014.

S. Yup Kim and Qi, Y., “Property evolution of Al2O3 coated and uncoated Si electrodes: A first principles investigation”, Journal of the Electrochemical Society, vol. 161, pp. F3137–F3143, 2014.

S. Yan, Xiao, X., Huang, X., Li, X., and Qi, Y., “Unveiling the environment-dependent mechanical properties of porous polypropylene separators”, Polymer (United Kingdom), vol. 55, pp. 6282–6292, 2014.

2013

C. Fu Sun, Karki, K., Jia, Z., Liao, H., Zhang, Y., Li, T., Qi, Y., Cumings, J., Rubloff, G. W., and Wang, Y., “A beaded-string silicon anode”, ACS Nano, vol. 7, pp. 2717–2724, 2013.

S. Shi, Qi, Y., Li, H., and Hector, L. G., “Defect thermodynamics and diffusion mechanisms in Li2CO 3 and implications for the solid electrolyte interphase in Li-ion batteries”, Journal of Physical Chemistry C, vol. 117, pp. 8579–8593, 2013.

J. Y. Howe, Burton, D. J., Qi, Y., Meyer, H. M., Nazri, M., G. Nazri, A., Palmer, A. C., and Lake, P. D., “Improving microstructure of silicon/carbon nanofiber composites as a Li battery anode”, Journal of Power Sources, vol. 221, pp. 455–461, 2013.

H. Zhang, Liu, X., Qi, Y., and Liu, V., “On the La2/3-xLi3xTiO3/Al 2O3 composite solid-electrolyte for Li-ion conduction”, Journal of Alloys and Compounds, vol. 577, pp. 57–63, 2013.

M. E. Stournara, Xiao, X., Qi, Y., Johari, P., Lu, P., Sheldon, B. W., Gao, H., and Shenoy, V. B., “Li segregation induces structure and strength changes at the amorphous Si/Cu interface”, Nano Letters, vol. 13, pp. 4759–4768, 2013.

F. G. Sen, Meng-Burany, X., Lukitsch, M. J., Qi, Y., and Alpas, A. T., “Low friction and environmentally stable diamond-like carbon (DLC) coatings incorporating silicon, oxygen and fluorine sliding against aluminum”, Surface and Coatings Technology, vol. 215, pp. 340–349, 2013.

F. G. Sen, Qi, Y., Van Duin, A. C. T., and Alpas, A. T., “Oxidation induced softening in Al nanowires”, Applied Physics Letters, vol. 102, 2013.

F. G. Sen, Qi, Y., and Alpas, A. T., “Tribology of fluorinated diamond-like carbon coatings: First principles calculations and sliding experiments”, Lubrication Science, vol. 25, pp. 111–121, 2013.

J. Chen, Liu, J., Qi, Y., Sun, T., and Li, X., “Unveiling the roles of binder in the mechanical integrity of electrodes for lithium-ion batteries”, Journal of the Electrochemical Society, vol. 160, 2013.

2012

F. G. Sen, Qi, Y., and Alpas, A. T., “Anchoring platinum on graphene using metallic adatoms: A first principles investigation”, Journal of Physics Condensed Matter, vol. 24, 2012.

Y. Qi, Xu, Q., and Van Der Ven, A., “Chemically induced crack instability when electrodes fracture”, Journal of the Electrochemical Society, vol. 159, 2012.

D. J. Oliver, Maassen, J., Ouali, M. El, Paul, W., Hagedorn, T., Miyahara, Y., Qi, Y., Guo, H., and Grütter, P., “Conductivity of an atomically defined metallic interface”, Proceedings of the National Academy of Sciences of the United States of America, vol. 109, pp. 19097–19102, 2012.

S. Shi, Lu, P., Liu, Z., Qi, Y., Hector, L. G., Li, H., and Harris, S. J., “Direct calculation of Li-ion transport in the solid electrolyte interphase”, Journal of the American Chemical Society, vol. 134, pp. 15476–15487, 2012.

S. Li Shang, Hector, L. G., Shi, S., Qi, Y., Wang, Y., and Liu, Z. Kiu, “Lattice dynamics, thermodynamics and elastic properties of monoclinic Li 2CO 3 from density functional theory”, Acta Materialia, vol. 60, pp. 5204–5216, 2012.

L. Liang, Qi, Y., Xue, F., Bhattacharya, S., Harris, S. J., and Chen, L. Qing, “Nonlinear phase-field model for electrode-electrolyte interface evolution”, Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, vol. 86, 2012.

B. W. Sheldon, Soni, S. K., Xiao, X., and Qi, Y., “Stress contributions to solution thermodynamics in Li-Si alloys”, Electrochemical and Solid-State Letters, vol. 15, no. 1, pp. A9-A11, 2012.

X. Li Wang, An, K., Cai, L., Feng, Z., Nagler, S. E., Daniel, C., Rhodes, K. J., Stoica, A. D., Skorpenske, H. D., Liang, C., Zhang, W., Kim, J., Qi, Y., and Harris, S. J., “Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction”, Scientific Reports, vol. 2, 2012.

2011

P. E. Krajewski, Hector, L. G., Qi, Y., Mishra, R. K., Sachdev, A. K., Bower, A. F., and Curtin, W. A., “Atoms to autos: A multi-scale approach to modeling aluminum deformation”, JOM, vol. 63, pp. 24–32, 2011.

N. Du, Qi, Y., Krajewski, P. E., and Bower, A. F., “The effect of solute atoms on aluminum grain boundary sliding at elevated temperature”, Metallurgical Transactions A (Physical Metallurgy and Materials Science), vol. 42, pp. 651–659, 2011.

I. Milas, Qi, Y., Sheldon, B. W., and Shenoy, V. B., “First-principles study of void induced stresses at a diamond (100) grain boundary”, Journal of Applied Physics, vol. 109, 2011.

F. G. Sen, Qi, Y., and Alpas, A. T., “Material transfer mechanisms between aluminum and fluorinated carbon interfaces”, Acta Materialia, vol. 59, pp. 2601–2614, 2011.

Y. Qi and Lai, Y. Hung, “Mesoscale modeling of the influence of morphology on the mechanical properties of proton exchange membranes”, Polymer (United Kingdom), vol. 52, pp. 201–210, 2011.

P. Johari, Qi, Y., and Shenoy, V. B., “The mixing mechanism during lithiation of Si negative electrode in Li-ion batteries: An Ab initio molecular dynamics study”, Nano Letters, vol. 11, pp. 5494–5500, 2011.

A. A. Gharam, Lukitsch, M. J., Qi, Y., and Alpas, A. T., “Role of oxygen and humidity on the tribo-chemical behaviour of non-hydrogenated diamond-like carbon coatings”, Wear, vol. 271, pp. 2157–2163, 2011.

K. Leung, Qi, Y., Zavadil, K. R., Jung, Y. Seok, Dillon, A. C., Cavanagh, A. S., Lee, S. Hee, and George, S. M., “Using atomic layer deposition to hinder solvent decomposition in lithium ion batteries: First-principles modeling and experimental studies”, Journal of the American Chemical Society, vol. 133, pp. 14741–14754, 2011.

2010

H. Guo, Qi, Y., and Li, X., “Adhesion at diamond/metal interfaces: A density functional theory study”, Journal of Applied Physics, vol. 107, 2010.

N. Du, Qi, Y., Krajewski, P. E., and Bower, A. F., “Aluminum R3 grain boundary sliding enhanced by vacancy diffusion”, Acta Materialia, vol. 58, pp. 4245–4252, 2010.

R. Deshpande, Qi, Y., and Cheng, Y. Tse, “Effects of concentration-dependent elastic modulus on diffusion-induced stresses for battery applications”, Journal of the Electrochemical Society, vol. 157, 2010.

V. B. Shenoy, Johari, P., and Qi, Y., “Elastic softening of amorphous and crystalline Li-Si Phases with increasing Li concentration: A first-principles study”, Journal of Power Sources, vol. 195, pp. 6825–6830, 2010.

H. Guo and Qi, Y., “Environmental conditions to achieve low adhesion and low friction on diamond surfaces”, Modelling and Simulation in Materials Science and Engineering, vol. 18, 2010.

Y. Qi and Harris, S. J., “In situ observation of strains during lithiation of a graphite electrode”, Journal of the Electrochemical Society, vol. 157, 2010.

S. J. Harris, Deshpande, R. D., Qi, Y., Dutta, I., and Cheng, Y. Tse, “Mesopores inside electrode particles can change the Li-ion transport mechanism and diffusion-induced stress”, Journal of Materials Research, vol. 25, pp. 1433–1440, 2010.

Y. Qi, Guo, H., Hector, L. G., and Timmons, A., “Threefold increase in the young's modulus of graphite negative electrode during lithium intercalation”, Journal of the Electrochemical Society, vol. 157, 2010.

2009

J. A. Yasi, Nogaret, T., Trinkle, D. R., Qi, Y., Hector, L. G., and Curtin, W. A., “Basal and prism dislocation cores in magnesium: Comparison of first-principles and embedded-atom-potential methods predictions”, Modelling and Simulation in Materials Science and Engineering, vol. 17, 2009.

D. K. Ward, Farkas, D., Lian, J., Curtin, W. A., Wang, J., Kim, K. S., and Qi, Y., “Engineering size-scaling of plastic deformation in nanoscale asperities”, Proceedings of the National Academy of Sciences of the United States of America, vol. 106, pp. 9580–9585, 2009.

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