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Found 88 results
Author Title Type [ Year(Asc)]
Filters: Author is Yue Qi  [Clear All Filters]
2020
J. Park, Phongpreecha, T., Nicholas, J. D., and Qi, Y., “Enhanced liquid metal wetting on oxide surfaces via patterned particles”, Acta Materialia, vol. 199, pp. 551 - 560, 2020.
H. - K. Tian, Chakraborty, A., A. Talin, A., Eisenlohr, P., and Qi, Y., “Evaluation of The Electrochemo-Mechanically Induced Stress in All-Solid-State Li-Ion Batteries”, Journal of The Electrochemical Society, vol. 167, p. 090541, 2020.
Y. Qi, Ban, C., and Harris, S. J., “A New General Paradigm for Understanding and Preventing Li Metal Penetration through Solid Electrolytes”, Joule, vol. 4, pp. 2599 - 2608, 2020.
Y. Lin, Zheng, J., Wang, C., and Qi, Y., “The origin of the two-plateaued or one-plateaued open circuit voltage in Li–S batteries”, Nano Energy, vol. 75, p. 104915, 2020.
2019
J. Liu, Wang, Q., and Qi, Y., “Atomistic simulation of the formation and fracture of oxide bifilms in cast aluminum”, Acta Materialia, vol. 164, pp. 673 - 682, 2019.
2018
T. Das, Nicholas, J. D., Sheldon, B. W., and Qi, Y., “Anisotropic chemical strain in cubic ceria due to oxygen-vacancy-induced elastic dipoles”, Physical Chemistry Chemical Physics, vol. 20, pp. 15293–15299, 2018.
H. Kang Tian, Xu, B., and Qi, Y., “Computational study of lithium nucleation tendency in Li7La3Zr2O12 (LLZO) and rational design of interlayer materials to prevent lithium dendrites”, Journal of Power Sources, vol. 392, pp. 79–86, 2018.
2017
L. Nation, Li, J., James, C., Qi, Y., Dudney, N., and Sheldon, B. W., “In situ stress measurements during electrochemical cycling of lithium-rich cathodes”, Journal of Power Sources, vol. 364, pp. 383–391, 2017.
S. Xiong, Li, Y., Sun, J., and Qi, Y., “Integrated Computation and Experimental Investigation on the Adsorption Mechanisms of Anti-Wear and Anti-Corrosion Additives on Copper”, Journal of Physical Chemistry C, vol. 121, pp. 21995–22003, 2017.
2016
M. E. Stournara, Kumar, R., Qi, Y., and Sheldon, B. W., “Ab initio diffuse-interface model for lithiated electrode interface evolution”, Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, vol. 94, 2016.
A. Ostadhossein, Kim, S. Yup, Cubuk, E. D., Qi, Y., and Van Duin, A. C. T., “Atomic Insight into the Lithium Storage and Diffusion Mechanism of SiO2/Al2O3 Electrodes of Lithium Ion Batteries: ReaxFF Reactive Force Field Modeling”, Journal of Physical Chemistry A, vol. 120, pp. 2114–2127, 2016.
Y. - X. Lin, Liu, Z., Leung, K., Chen, L. - Q., Lu, P., and Qi, Y., “Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components”, Journal of Power Sources, vol. 309, pp. 221–230, 2016.
J. Pan, Zhang, Q., Xiao, X., Cheng, Y. Tse, and Qi, Y., “Design of Nanostructured Heterogeneous Solid Ionic Coatings through a Multiscale Defect Model”, ACS Applied Materials and Interfaces, vol. 8, pp. 5687–5693, 2016.
C. James, Wu, Y., Sheldon, B. W., and Qi, Y., “The impact of oxygen vacancies on lithium vacancy formation and diffusion in Li2-xMnO3-δ”, Solid State Ionics, vol. 289, pp. 87–94, 2016.
S. Yup Kim, Ostadhossein, A., Van Duin, A. C. T., Xiao, X., Gao, H., and Qi, Y., “Self-generated concentration and modulus gradient coating design to protect Si nano-wire electrodes during lithiation”, Physical Chemistry Chemical Physics, vol. 18, pp. 3706–3715, 2016.
F. Wang, Lin, Y., Suo, L., Fan, X., Gao, T., Yang, C., Han, F., Qi, Y., Xu, K., and Wang, C., “Stabilizing high voltage LiCoO2 cathode in aqueous electrolyte with interphase-forming additive”, Energy and Environmental Science, vol. 9, no. 12, pp. 3666–3673, 2016.
Q. Zhang, Pan, J., Lu, P., Liu, Z., Verbrugge, M. W., Sheldon, B. W., Cheng, Y. Tse, Qi, Y., and Xiao, X., “Synergetic Effects of Inorganic Components in Solid Electrolyte Interphase on High Cycle Efficiency of Lithium Ion Batteries”, Nano Letters, vol. 16, pp. 2011–2016, 2016.
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.
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, Qi, Y., Van Duin, A. C. T., and Alpas, A. T., “Oxidation induced softening in Al nanowires”, Applied Physics Letters, vol. 102, 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
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
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.
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.
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.

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