Publications 1999 2017

  • 32 h-Index
  • 102 Article
  • 13 Conference contribution
  • 1 Chapter
Filter
Article
2017
1 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: Research - peer-reviewArticle

aragonite
twinning
stacking fault energy
attack
sliding
2 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: Research - peer-reviewArticle

Delamination
Molecular dynamics
Durability
Aluminum
Degradation

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: Research - peer-reviewArticle

stress measurement
lithium
cathodes
cycles
Stress measurement

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: Research - peer-reviewArticle

Copper
Wear of materials
Corrosion
Adsorption
corrosion
3 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: Research - peer-reviewArticle

Strontium
Oxygen vacancies
Ferrite
Charge transfer
Vacancies

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: Research - peer-reviewArticle

electric batteries
solid state
ions
simulation
Lithium-ion batteries
2016
1 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: Research - peer-reviewArticle

Diffuse Interface
Electrode
Model
electrodes
Phase Field
12 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: Research - peer-reviewArticle

field theory (physics)
electric batteries
lithium
silicon dioxide
electrodes
8 Citations
Solid electrolytes
Electrolytes
Electrodes
Metals
Passivation
14 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: Research - peer-reviewArticle

solid electrolytes
electron tunneling
electric batteries
electronics
ions
5 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: Research - peer-reviewArticle

Carbon Monoxide
Coatings
Defects
Lithium
lithium fluoride
11 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: Research - peer-reviewArticle

solid electrolytes
dendrites
anodes
metals
Dendrites (metallography)
11 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: Research - peer-reviewArticle

wire
coatings
gradients
electrodes
Wire
12 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: Research - peer-reviewArticle

Electrolytes
Cathodes
Electric potential
electrolyte
Anodes
23 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: Research - peer-reviewArticle

lithium fluorides
solid electrolytes
electric batteries
lithium
cycles
3 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: Research - peer-reviewArticle

Oxygen vacancies
Lithium
Vacancies
lithium
oxygen
2015
8 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: Research - peer-reviewArticle

Graphite
Electrochemical cells
Capacitance
Graphene
Electrodes
13 Citations
solid electrolytes
coatings
conduction
electrodes
defects
10 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: Research - peer-reviewArticle

Electrodeposition
Surface morphology
Modulation
Electrodes
Electric potential
3 Citations
Vacancies
Molecular dynamics
Electrodes
molecular dynamics
electrodes
2014
10 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: Research - peer-reviewArticle

Separators
Tensile stress
Explosions
Hazards
Hot Temperature
16 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: Research - peer-reviewArticle

Separators
Polymers
Lithium-ion batteries
Direction compound
Tensile testing
14 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: Research - peer-reviewArticle

Debonding
Anodes
Ions
anodes
ions
1 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: Research - peer-reviewArticle

47 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: Research - peer-reviewArticle

electrode materials
electric batteries
elastic properties
lithium
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: Research - peer-reviewArticle

Indentation
Plastics
Experiments
Surface defects
Nanoindentation
8 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: Research - peer-reviewArticle

Aluminum
Nanowires
Ductility
Oxidation
ductility
6 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: Research - peer-reviewArticle

separators
electric batteries
lithium
ions
temperature
12 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: Research - peer-reviewArticle

electrodes
Electrodes
coatings
energy
Energy barriers
10 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: Research - peer-reviewArticle

Polypropylenes
Separators
Mechanical properties
methyl carbonate
Carbonates
2013
57 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: Research - peer-reviewArticle

anodes
strings
silicon
Carbon Nanotubes
Silicon
58 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: Research - peer-reviewArticle

Solid electrolytes
Thermodynamics
Defects
Lithium-ion batteries
solid electrolytes
38 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: Research - peer-reviewArticle

electric batteries
anodes
microstructure
composite materials
carbon
35 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: Research - peer-reviewArticle

Electrodes
electrodes
lithium
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: Research - peer-reviewArticle

fluorine
sliding
friction
diamonds
aluminum
7 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: Research - peer-reviewArticle

Solid electrolytes
Ions
Composite materials
Electrolytes
Temperature
19 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: Research - peer-reviewArticle

softening
nanowires
oxidation
modulus of elasticity
oxides
9 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: Research - peer-reviewArticle

Diamond
Tribology
Carbon
Coatings
Experiments
36 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: Research - peer-reviewArticle

integrity
electric batteries
lithium
electrodes
ions
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: Research - peer-reviewArticle

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: Research - peer-reviewArticle

cracks
electrodes
cells
Cracks
Electrodes
12 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: Research - peer-reviewArticle

Tungsten
Gold
Scanning Tunnelling Microscopy
Equipment Design
Semiconductors
127 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: Research - peer-reviewArticle

Solid electrolytes
Ions
Interphase
Ion Transport
Electrolytes
35 Citations

Lattice dynamics, thermodynamics and elastic properties of monoclinic Li 2CO 3 from density functional theory

Shang, S. L., Hector, L. G., Shi, S., Qi, Y., Wang, Y. & Liu, Z. K. Aug 2012 In : Acta Materialia. 60, 13-14, p. 5204-5216 13 p.

Research output: Research - peer-reviewArticle

Lattice vibrations
Density functional theory
Elastic moduli
Thermodynamics
Temperature
23 Citations

Nonlinear phase-field model for electrode-electrolyte interface evolution

Liang, L., Qi, Y., Xue, F., Bhattacharya, S., Harris, S. J. & Chen, L. Q. Nov 26 2012 In : Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 86, 5, 051609

Research output: Research - peer-reviewArticle

Phase Field Model
Electrolyte
Electrode
Nonlinear Model
electrolytes
34 Citations

Stress contributions to solution thermodynamics in Li-Si alloys

Sheldon, B. W., Soni, S. K., Xiao, X. & Qi, Y. 2012 In : Electrochemical and Solid-State Letters. 15, 1

Research output: Research - peer-reviewArticle

Thermodynamics
thermodynamics
Free energy
Solubility
Electrodes
50 Citations

Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction

Wang, X. L., 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. & Harris, S. J. 2012 In : Scientific Reports. 2, 747

Research output: Research - peer-reviewArticle

Neutron Diffraction
Graphite
Lithium
Ions
Dilatation
2011
7 Citations

Atoms to autos: A multi-scale approach to modeling aluminum deformation

Krajewski, P. E., Hector, L. G., Qi, Y., Mishra, R. K., Sachdev, A. K., Bower, A. F. & Curtin, W. A. Nov 2011 In : JOM. 63, 11, p. 24-32 9 p.

Research output: Research - peer-reviewArticle

Aluminum sheet
Aluminum
Atoms
Tensile testing
Automobiles

ECS Transactions: Preface

Harris, S. J., Qi, Y., Lu, P. & Jiang, M. 2011 In : Unknown Journal. 35, 14

Research output: Research - peer-reviewArticle