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Computational Materials Science
Qi Research Group

Representative Publications before 2015 (Google Scholar)

Metals and Mechanical Properties:

Tuning Ideal Tensile Strengths and Intrinsic Ductility of bcc Refractory Alloys
L. Qi, D. C. Chrzan, Physics Review Letters, 112 (2014) 115503

PLACE HOLDER

The microstructure of dislocated martensitic steel: Theory
L. Qi, A.G. Khachaturyan, J.W. Morris Jr., Acta Materialia, 76 (2014) 23

PLACE HOLDER

Electrocatalysis and Fuel Cells:

Adsorbate interactions on surface lead to a flattened Sabatier volcano plot in reduction of oxygen
L. Qi, J. Li, Journal of Catalysis, 295 (2012) 59

PLACE HOLDER

Icosahedral Platinum Alloy Nanocrystals with Enhanced Electrocatalytic Activities
J. Wu, L. Qi, H. You, A. Gross, J. Li, H. Yang, Journal of the American Chemical Society, 134 (2012) 11880

PLACE HOLDER

Multiscale modeling of electrocatalysis
L. Qi (2009) (Doctoral dissertation, University of Pennsylvania)

Graphene:

In situ observation of graphene sublimation and multi-layer edge reconstructions
J.Y. Huang, F. Ding, B. I. Yakobson, P. Lu, L. Qi, J. Li, Proceedings of the National Academy of Sciences, 106 (2009) 10103

PLACE HOLDER