Skip to main content

MSCE Publications

Publications

You are here

Found 12 results

Author Title Type [ Year

]

Filters: Author is Hector, Louis G. [Clear All Filters]

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.

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.

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.

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.

2007

Q. Zhang, Qi, Y., Hector, L. G., Cagin, T., and Goddard, W. A., “Origin of static friction and its relationship to adhesion at the atomic scale”, Physical Review B-Condensed Matter, vol. 75, 2007.

Y. Qi and Hector, L. G., “Planar stacking effect on elastic stability of hexagonal boron nitride”, Applied Physics Letters, vol. 90, 2007.

2005

Q. Zhang, Qi, Y., Hector, L. G., Cagin, T., and Goddard, W. A., “Atomic simulations of kinetic friction and its velocity dependence at Al/Al and α-Al2O3/α-Al2O3 interfaces”, Physical Review B-Condensed Matter, vol. 72, 2005.

Y. Qi, Hector, L. G., Ooi, N., and Adams, J. B., “A first principles study of adhesion and adhesive transfer at Al(1 1 1)/graphite(0 0 0 1)”, Surface Science, vol. 581, pp. 155–168, 2005.

2004

Y. Qi and Hector, L. G., “Adhesion and adhesive transfer at aluminum/diamond interfaces: A first-principles study”, Physical Review B-Condensed Matter, vol. 69, 2004.

Q. Zhang, Cagin, T., Van Duin, A., Goddard, W. A., Qi, Y., and Hector, L. G., “Adhesion and nonwetting-wetting transition in the Al/α-Al 2O3 interface”, Physical Review B-Condensed Matter, vol. 69, pp. 454231–4542311, 2004.

2003

Y. Qi and Hector, L. G., “Hydrogen effect on adhesion and adhesive transfer at aluminum/diamond interfaces”, Physical Review B-Condensed Matter, vol. 68, pp. 2014031–2014034, 2003.