Publications 1999 2018

  • 35 h-Index
  • 110 Article
  • 14 Conference contribution
  • 2 Review article
  • 1 Chapter
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Conference contribution
2017
1 Citations

First-principles studies of oxygen vacancy interactions and their impact on oxygen vacancy formation and migration in lanthanum strontium ferrite

Das, T., Nicholas, J. D. & Qi, Y. May 30 2017 ECS Transactions. 1 ed. Electrochemical Society Inc., Vol. 78, p. 2807-2814 8 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Oxygen vacancies
Lanthanum
Strontium
Ferrite
Polarons
2016

Synergetic effects of inorganic components in solid electrolyte interphase on high cycle efficiency of lithium ion batteries

Zhang, Q., Lu, P., Liu, Z., Verbrugge, M. W., Xiao, X., Pan, J., Cheng, Y. T., Sheldon, B. W. & Qi, Y. 2016 Battery Congress 2016. Global Automotive Management Council

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Solid electrolytes
Lithium
Ions
Ionic conductivity
Electric space charge
2015

Computational insights into high strain rate self-stiffening mechanism in nacre

Liu, J., Li, X. & Qi, Y. 2015 Proceedings of the American Society for Composites - 30th Technical Conference, ACS 2015. DEStech Publications

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Nacre
Stacking faults
Strain rate
Armor
Twinning

From material modeling to Li-ion Battery life prediction - A closer look at the degradation mechanisms

Qi, Y. 2015 Battery Congress 2015, Papers and Presentations. Global Automotive Management Council, p. 75-90 16 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Degradation
Lithium-ion batteries
2014
5 Citations

Understanding and predicting the lithium dendrite formation in Li-Ion batteries: Phase field model

Zhang, H. W., Liu, Z., Liang, L., Chen, L., Qi, Y., Harris, S. J., Lu, P. & Chen, L. Q. 2014 ECS Transactions. 8 ed. Electrochemical Society Inc., Vol. 61, p. 1-9 9 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Lithium
Dendrites (metallography)
Interfacial energy
Ions
Separators
2011
4 Citations

Using atomic layer deposition to hinder solvent decomposition in lithium ion batteries: First principles modeling and experimental study

Leung, K., Qi, Y., Zavadil, K., Jong, Y. S. & Dillon, A. C. 2011 ACS National Meeting Book of Abstracts.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Atomic layer deposition
Oxides
Decomposition
Carbonates
Ethylene
2010
2 Citations

Improvement of the Pt/graphene interface adhesion by metallic adatoms for fuel cell applications

Sen, F. G., Qi, Y. & Alpas, A. T. 2010 Materials Research Society Symposium Proceedings. Vol. 1213, p. 1-6 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Adatoms
Graphite
Graphene
adatoms
fuel cells

Tribology of fluorinated diamond-like carbon coatings: First principles calculations and sliding experiments

Sen, F. G., Qi, Y. & Alpas, A. T. 2010 Proceedings - International Brazilian Conference on Tribology. p. 560-570 11 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Diamond
Tribology
Diamonds
Carbon
Coatings
2008

Surface stability and electronic structure of hydrogen and fluorine terminated diamond surfaces: A first principles investigation

Sen, F. G., Qi, Y. & Alpas, A. T. 2008 Materials Research Society Symposium Proceedings. Vol. 1130, p. 92-97 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

surface stability
Diamond
Fluorine
Electronic structure
fluorine
2007

Multiscale modeling in automobile materials research: For engines, door panels and fuel cells

Qi, Y. 2007 ACS National Meeting Book of Abstracts.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Automobile materials
Aluminum
Fuel cells
Engines
Grain boundary sliding
2006

Mesoscale simulation of morphology in hydrated perfluorosulfonic acid membranes

Wescott, J. T., Qi, Y., Subramanian, L. & Capehart, T. W. 2006 Materials Research Society Symposium Proceedings. Vol. 885, p. 45-50 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Membranes
Acids
Fluorocarbons
Mean field theory
Water
2001
4 Citations

Molecular dynamics simulations of supercooled liquid metals and glasses

Lee, H. J., Qi, Y., Strachan, A., Cagin, T., Goddard, W. A. & Johnson, W. L. 2001 Materials Research Society Symposium - Proceedings. Inoue, A., Yavari, A. R., Johnson, W. & Dauskardt, R. (eds.). Vol. 644

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Liquid metals
Molecular dynamics
Glass
Computer simulation
Liquids
1999
46 Citations

Calculation of mechanical, thermodynamic and transport properties of metallic glass formers

Cagm, T., Kimura, Y., Yue, Q., Li, H., Ikeda, H., Johnson, W. L. & Goddard, W. A. 1999 Materials Research Society Symposium - Proceedings. Materials Research Society, Vol. 554, p. 43-48 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Binary alloys
Metallic glass
Transport properties
Liquid Crystals
Thermodynamic properties
3 Citations

Deformation behavior of FCC crystalline metallic nanowires under high strain rates

Qi, Y., Dceda, H., Cagin, T., Samwer, K., Johnson, W. L. & Goddard, W. A. 1999 Materials Research Society Symposium - Proceedings. Materials Research Society, Vol. 554, p. 367-372 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Nanowires
Strain rate
Crystalline materials
Crystals
Tensile strain