Publications 1999 2018

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  • 110 Article
  • 14 Conference contribution
  • 2 Review article
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2018
Tamper resistant packaging
Yttria stabilized zirconia
Wetting
Silver
Adhesion
Tamper resistant packaging
dendrites
interlayers
tendencies
Lithium
1 Citations

From Microparticles to Nanowires and Back: Radical Transformations in Plated Li Metal Morphology Revealed via in Situ Scanning Electron Microscopy

Yulaev, A., Oleshko, V., Haney, P., Liu, J., Qi, Y., Talin, A. A., Leite, M. S. & Kolmakov, A. Mar 14 2018 In : Nano Letters. 18, 3, p. 1644-1650 7 p.

Research output: Contribution to journalArticle

Indium plating
Lithium deposits
Lithium compounds
lithium compounds
Electric batteries

Nanoscale Protection Layers to Mitigate Degradation in High-Energy Electrochemical Energy Storage Systems

Lin, C. F., Qi, Y., Gregorczyk, K., Lee, S. B. & Rubloff, G. W. Jan 16 2018 In : Accounts of Chemical Research. 51, 1, p. 97-106 10 p.

Research output: Contribution to journalArticle

Energy storage
Degradation
Electrodes
Electrolytes
Ions
2017
2 Citations

Atomistic Origin of Deformation Twinning in Biomineral Aragonite

Liu, J., Huang, Z., Pan, Z., Wei, Q., Li, X. & Qi, Y. Mar 9 2017 In : Physical Review Letters. 118, 10, 105501

Research output: Contribution to journalArticle

aragonite
twinning
stacking fault energy
attack
sliding
4 Citations

Atomistic Simulation Derived Insight on the Irreversible Structural Changes of Si Electrode during Fast and Slow Delithiation

Kim, K. J., Wortman, J., Kim, S. Y. & Qi, Y. Jul 12 2017 In : Nano Letters. 17, 7, p. 4330-4338 9 p.

Research output: Contribution to journalArticle

Aluminum Oxide
Silicon
Delamination
Molecular dynamics
Durability
5 Citations

How Solid-Electrolyte Interphase Forms in Aqueous Electrolytes

Suo, L., Oh, D., Lin, Y., Zhuo, Z., Borodin, O., Gao, T., Wang, F., Kushima, A., Wang, Z., Kim, H. C., Qi, Y., Yang, W., Pan, F., Li, J., Xu, K. & Wang, C. Dec 27 2017 In : Journal of the American Chemical Society. 139, 51, p. 18670-18680 11 p.

Research output: Contribution to journalArticle

Interphase
Solid electrolytes
Electrolytes
Ions
Electrochemical Techniques
3 Citations

In situ stress measurements during electrochemical cycling of lithium-rich cathodes

Nation, L., Li, J., James, C., Qi, Y., Dudney, N. & Sheldon, B. W. Oct 1 2017 In : Journal of Power Sources. 364, p. 383-391 9 p.

Research output: Contribution to journalArticle

stress measurement
Stress measurement
Lithium
Cathodes
lithium

Integrated Computation and Experimental Investigation on the Adsorption Mechanisms of Anti-Wear and Anti-Corrosion Additives on Copper

Xiong, S., Li, Y., Sun, J. & Qi, Y. Oct 12 2017 In : Journal of Physical Chemistry C. 121, 40, p. 21995-22003 9 p.

Research output: Contribution to journalArticle

Copper
corrosion
Wear of materials
Corrosion
Adsorption
9 Citations

Long-range charge transfer and oxygen vacancy interactions in strontium ferrite

Das, T., Nicholas, J. D. & Qi, Y. 2017 In : Journal of Materials Chemistry A. 5, 9, p. 4493-4506 14 p.

Research output: Contribution to journalArticle

Strontium
Oxygen vacancies
Ferrite
Charge transfer
Vacancies

Polaron size and shape effects on oxygen vacancy interactions in lanthanum strontium ferrite

Das, T., Nicholas, J. D. & Qi, Y. Jan 1 2017 In : Journal of Materials Chemistry A. 5, 47, p. 25031-25043 13 p.

Research output: Contribution to journalArticle

Lanthanum compounds
Enzyme electrodes
Iron compounds
Polarons
Oxygen vacancies
2 Citations

Simulation of the effect of contact area loss in all-solid-state Li-ion batteries

Tian, H. K. & Qi, Y. 2017 In : Journal of the Electrochemical Society. 164, 11, p. E3512-E3521

Research output: Contribution to journalArticle

electric batteries
solid state
Contacts (fluid mechanics)
ions
simulation
2016
2 Citations

Ab initio diffuse-interface model for lithiated electrode interface evolution

Stournara, M. E., Kumar, R., Qi, Y. & Sheldon, B. W. Jul 11 2016 In : Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 94, 1, 012802

Research output: Contribution to journalArticle

Diffuse Interface
Electrode
electrodes
Phase Field
Segregation
22 Citations

Atomic Insight into the Lithium Storage and Diffusion Mechanism of SiO2/Al2O3 Electrodes of Lithium Ion Batteries: ReaxFF Reactive Force Field Modeling

Ostadhossein, A., Kim, S. Y., Cubuk, E. D., Qi, Y. & Van Duin, A. C. T. Apr 7 2016 In : Journal of Physical Chemistry A. 120, 13, p. 2114-2127 14 p.

Research output: Contribution to journalArticle

Lithium
Silicon Dioxide
field theory (physics)
electric batteries
lithium
2 Citations

Computational analysis of coupled anisotropic chemical expansion in Li2-XMnO3-δ

James, C., Wu, Y., Sheldon, B. & Qi, Y. Jan 1 2016 In : MRS Advances. 1, 15, p. 1037-1042 6 p.

Research output: Contribution to journalArticle

Vacancies
expansion
Lithium
Oxygen vacancies
lithium
23 Citations
Solid electrolytes
Electrolytes
Electrodes
Metals
Passivation
25 Citations

Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components

Lin, Y. X., Liu, Z., Leung, K., Chen, L. Q., Lu, P. & Qi, Y. Mar 31 2016 In : Journal of Power Sources. 309, p. 221-230 10 p.

Research output: Contribution to journalArticle

Electron tunneling
Solid electrolytes
solid electrolytes
electron tunneling
electric batteries
8 Citations

Design of Nanostructured Heterogeneous Solid Ionic Coatings through a Multiscale Defect Model

Pan, J., Zhang, Q., Xiao, X., Cheng, Y. T. & Qi, Y. Mar 2 2016 In : ACS Applied Materials and Interfaces. 8, 8, p. 5687-5693 7 p.

Research output: Contribution to journalArticle

Carbon Monoxide
Lithium
Solid electrolytes
Coatings
Defects
21 Citations

Interfacial study on solid electrolyte interphase at Li metal anode: Implication for Li dendrite growth

Liu, Z., Qi, Y., Lin, Y. X., Chen, L., Lu, P. & Chen, L. Q. 2016 In : Journal of the Electrochemical Society. 163, 3, p. A592-A598

Research output: Contribution to journalArticle

Dendrites (metallography)
Solid electrolytes
solid electrolytes
dendrites
Anodes
16 Citations

Self-generated concentration and modulus gradient coating design to protect Si nano-wire electrodes during lithiation

Kim, S. Y., Ostadhossein, A., Van Duin, A. C. T., Xiao, X., Gao, H. & Qi, Y. Feb 7 2016 In : Physical Chemistry Chemical Physics. 18, 5, p. 3706-3715 10 p.

Research output: Contribution to journalArticle

wire
Wire
coatings
Coatings
gradients
22 Citations

Stabilizing high voltage LiCoO2 cathode in aqueous electrolyte with interphase-forming additive

Wang, F., Lin, Y., Suo, L., Fan, X., Gao, T., Yang, C., Han, F., Qi, Y., Xu, K. & Wang, C. Dec 1 2016 In : Energy and Environmental Science. 9, 12, p. 3666-3673 8 p.

Research output: Contribution to journalArticle

electrolyte
Electrolytes
Cathodes
Electric potential
Anodes
43 Citations

Synergetic Effects of Inorganic Components in Solid Electrolyte Interphase on High Cycle Efficiency of Lithium Ion Batteries

Zhang, Q., Pan, J., Lu, P., Liu, Z., Verbrugge, M. W., Sheldon, B. W., Cheng, Y. T., Qi, Y. & Xiao, X. Mar 9 2016 In : Nano Letters. 16, 3, p. 2011-2016 6 p.

Research output: Contribution to journalArticle

lithium fluorides
Solid electrolytes
solid electrolytes
Carbon Monoxide
electric batteries
6 Citations

The impact of oxygen vacancies on lithium vacancy formation and diffusion in Li2-xMnO3-δ

James, C., Wu, Y., Sheldon, B. W. & Qi, Y. Jun 1 2016 In : Solid State Ionics. 289, p. 87-94 8 p.

Research output: Contribution to journalArticle

Oxygen vacancies
Lithium
Vacancies
lithium
oxygen
2015
10 Citations

Dissecting graphene capacitance in electrochemical cell

Sun, S., Qi, Y. & Zhang, T. Y. May 1 2015 In : Electrochimica Acta. 163, p. 296-302 7 p.

Research output: Contribution to journalArticle

Graphite
Electrochemical cells
Graphene
Capacitance
Fermi level
23 Citations
Ionic conduction
Solid electrolytes
solid electrolytes
lithium fluorides
coatings
20 Citations

Modulation of dendritic patterns during electrodeposition: A nonlinear phase-field model

Chen, L., Zhang, H. W., Liang, L. Y., Liu, Z., Qi, Y., Lu, P., Chen, J. & Chen, L. Q. Dec 30 2015 In : Journal of Power Sources. 300, p. 376-385 10 p.

Research output: Contribution to journalArticle

Electrodeposition
electrodeposition
Surface morphology
Modulation
modulation
4 Citations
Vacancies
Molecular dynamics
molecular dynamics
Electrodes
electrodes
2014
15 Citations

A coupled penetration-tension method for evaluating the reliability of battery separators

Chen, J., Sun, T., Qi, Y. & Li, X. 2014 In : ECS Electrochemistry Letters. 3, 6

Research output: Contribution to journalArticle

Separators
Tensile stress
Explosions
Hazards
27 Citations

Deformation and fracture behaviors of microporous polymer separators for lithium ion batteries

Chen, J., Yan, Y., Sun, T., Qi, Y. & Li, X. 2014 In : RSC Advances. 4, 29, p. 14904-14914 11 p.

Research output: Contribution to journalArticle

Separators
Polymers
Tensile testing
Crack tips
Stretching
16 Citations

From Ab initio calculations to multiscale design of Si/C core-shell particles for Li-ion anodes

Stournara, M. E., Qi, Y. & Shenoy, V. B. Apr 9 2014 In : Nano Letters. 14, 4, p. 2140-2149 10 p.

Research output: Contribution to journalArticle

Debonding
Anodes
anodes
Ions
Fracture energy
2 Citations

Introduction to mechano-electro-chemical coupling in energy related materials and devices

Nicholas, J. D., Qi, Y., Bishop, S. R. & Mukherjee, P. P. 2014 In : Journal of the Electrochemical Society. 161, 11, p. Y11-Y12

Research output: Contribution to journalArticle

energy
63 Citations

Lithium concentration dependent elastic properties of battery electrode materials from first principles calculations

Qi, Y., Hector, L. G., James, C. & Kim, K. J. 2014 In : Journal of the Electrochemical Society. 161, 11, p. F3010-F3018

Research output: Contribution to journalArticle

electrode materials
Lithium
electric batteries
elastic properties
lithium
11 Citations

One-to-one spatially matched experiment and atomistic simulations of nanometre-scale indentation

Oliver, D. J., Paul, W., El Ouali, M., Hagedorn, T., Miyahara, Y., Qi, Y. & Grütter, P. H. Jan 17 2014 In : Nanotechnology. 25, 2, 025701

Research output: Contribution to journalArticle

Indentation
Plastics
Surface defects
Nanoindentation
Gold
15 Citations

Oxidation-assisted ductility of aluminium nanowires

Sen, F. G., Alpas, A. T., Van Duin, A. C. T. & Qi, Y. Jun 2 2014 In : Nature Communications. 5, 3959

Research output: Contribution to journalArticle

Nanowires
Aluminum
ductility
Oxides
Ductility
10 Citations

Probing the roles of polymeric separators in lithium-ion battery capacity fade at elevated temperatures

Chen, J., Yan, Y., Sun, T., Qi, Y. & Li, X. 2014 In : Journal of the Electrochemical Society. 161, 9

Research output: Contribution to journalArticle

separators
Separators
electric batteries
lithium
polypropylene
18 Citations

Property evolution of Al2O3 coated and uncoated Si electrodes: A first principles investigation

Kim, S. Y. & Qi, Y. 2014 In : Journal of the Electrochemical Society. 161, 11, p. F3137-F3143

Research output: Contribution to journalArticle

Energy barriers
Electrodes
electrodes
coatings
Coatings
18 Citations

Unveiling the environment-dependent mechanical properties of porous polypropylene separators

Yan, S., Xiao, X., Huang, X., Li, X. & Qi, Y. Nov 18 2014 In : Polymer (United Kingdom). 55, 24, p. 6282-6292 11 p.

Research output: Contribution to journalArticle

Polypropylenes
Separators
Carbonates
Nanofibers
Mechanical properties
2013
59 Citations

A beaded-string silicon anode

Sun, C. F., Karki, K., Jia, Z., Liao, H., Zhang, Y., Li, T., Qi, Y., Cumings, J., Rubloff, G. W. & Wang, Y. Mar 26 2013 In : ACS Nano. 7, 3, p. 2717-2724 8 p.

Research output: Contribution to journalArticle

Carbon Nanotubes
Silicon
Carbon nanotubes
Anodes
anodes
71 Citations

Defect thermodynamics and diffusion mechanisms in Li2CO 3 and implications for the solid electrolyte interphase in Li-ion batteries

Shi, S., Qi, Y., Li, H. & Hector, L. G. May 2 2013 In : Journal of Physical Chemistry C. 117, 17, p. 8579-8593 15 p.

Research output: Contribution to journalArticle

Solid electrolytes
solid electrolytes
electric batteries
Carbon Monoxide
Thermodynamics
40 Citations

Improving microstructure of silicon/carbon nanofiber composites as a Li battery anode

Howe, J. Y., Burton, D. J., Qi, Y., Meyer, H. M., Nazri, M., Nazri, G. A., Palmer, A. C. & Lake, P. D. Jan 1 2013 In : Journal of Power Sources. 221, p. 455-461 7 p.

Research output: Contribution to journalArticle

Carbon nanofibers
Silicon
electric batteries
Anodes
anodes
41 Citations

Li segregation induces structure and strength changes at the amorphous Si/Cu interface

Stournara, M. E., Xiao, X., Qi, Y., Johari, P., Lu, P., Sheldon, B. W., Gao, H. & Shenoy, V. B. 2013 In : Nano Letters. 13, 10, p. 4759-4768 10 p.

Research output: Contribution to journalArticle

Electrodes
Lithium
electrodes
lithium
sliding
24 Citations

Low friction and environmentally stable diamond-like carbon (DLC) coatings incorporating silicon, oxygen and fluorine sliding against aluminum

Sen, F. G., Meng-Burany, X., Lukitsch, M. J., Qi, Y. & Alpas, A. T. Jan 25 2013 In : Surface and Coatings Technology. 215, p. 340-349 10 p.

Research output: Contribution to journalArticle

Diamond
Fluorine
Silicon
Aluminum
fluorine
9 Citations

On the La2/3-xLi3xTiO3/Al 2O3 composite solid-electrolyte for Li-ion conduction

Zhang, H., Liu, X., Qi, Y. & Liu, V. 2013 In : Journal of Alloys and Compounds. 577, p. 57-63 7 p.

Research output: Contribution to journalArticle

Solid electrolytes
Ions
Electrolytes
Composite materials
Calcination
23 Citations

Oxidation induced softening in Al nanowires

Sen, F. G., Qi, Y., Van Duin, A. C. T. & Alpas, A. T. Feb 4 2013 In : Applied Physics Letters. 102, 5, 051912

Research output: Contribution to journalArticle

softening
nanowires
oxidation
modulus of elasticity
tensile deformation
10 Citations

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

Sen, F. G., Qi, Y. & Alpas, A. T. Mar 2013 In : Lubrication Science. 25, 2, p. 111-121 11 p.

Research output: Contribution to journalArticle

Diamond
Tribology
Diamonds
Carbon
Coatings
47 Citations

Unveiling the roles of binder in the mechanical integrity of electrodes for lithium-ion batteries

Chen, J., Liu, J., Qi, Y., Sun, T. & Li, X. 2013 In : Journal of the Electrochemical Society. 160, 9

Research output: Contribution to journalArticle

integrity
Binders
electric batteries
lithium
Electrodes
2012
11 Citations

Anchoring platinum on graphene using metallic adatoms: A first principles investigation

Sen, F. G., Qi, Y. & Alpas, A. T. Jun 6 2012 In : Journal of Physics Condensed Matter. 24, 22, 225003

Research output: Contribution to journalArticle

Adatoms
Graphite
Platinum
Graphene
adatoms
8 Citations

Chemically induced crack instabilitywhen electrodes fracture

Qi, Y., Xu, Q. & Van Der Ven, A. 2012 In : Journal of the Electrochemical Society. 159, 11

Research output: Contribution to journalArticle

cracks
Cracks
Electrodes
electrodes
cells
14 Citations

Conductivity of an atomically defined metallic interface

Oliver, D. J., Maassen, J., El Ouali, M., Paul, W., Hagedorn, T., Miyahara, Y., Qi, Y., Guo, H. & Grütter, P. Nov 20 2012 In : Proceedings of the National Academy of Sciences of the United States of America. 109, 47, p. 19097-19102 6 p.

Research output: Contribution to journalArticle

Tungsten
Gold
Scanning Tunnelling Microscopy
Equipment Design
Semiconductors
145 Citations

Direct calculation of Li-ion transport in the solid electrolyte interphase

Shi, S., Lu, P., Liu, Z., Qi, Y., Hector, L. G., Li, H. & Harris, S. J. Sep 19 2012 In : Journal of the American Chemical Society. 134, 37, p. 15476-15487 12 p.

Research output: Contribution to journalArticle

Interphase
Ion Transport
Solid electrolytes
Electrolytes
Ions