Publications 1999 2017

  • 32 h-Index
  • 101 Article
  • 13 Conference contribution
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2017

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

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

Autoradiography
Electrodes
Methacholine Compounds
Edema Disease of Swine
Alcuronium

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

lithium
Addison Disease
cathodes
cycles
Coumestrol
2 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

Osteoradionecrosis
Oxygen vacancies
Ostertagiasis
Anthralin
Density functional theory

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

Butylene Glycols
electric batteries
solid state
Methacholine Compounds
Directed Tissue Donation
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: Contribution to journalArticle

Model
Diffuse interface
Phase field
Segregation
Thermodynamics
11 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

silicon dioxide
field theory (physics)
Ergothioneine
aluminum oxides
lithium
5 Citations
Interphase
Electrolytes
Electrodes
Prepaid Group Practice
Metals
13 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

Prepaid Group Practice
solid electrolytes
Solid electrolytes
Methacholine Compounds
Health Maintenance Organizations
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: Contribution to journalArticle

Lithium
Prepaid Group Practice
Solid electrolytes
Electric space charge
Directed Tissue Donation
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: Contribution to journalArticle

solid electrolytes
Prepaid Group Practice
Solid electrolytes
metals
Metals
9 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

Acetabularia
coatings
Autoradiography
gradients
electrodes
7 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

Electrolytes
electrolyte
Cathodes
Carbuncle
Coumestrol
22 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
Prepaid Group Practice
Lithium
lithium fluorides
solid electrolytes
2 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
Osteoradionecrosis
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: Contribution to journalArticle

Capacitance
Mainframe Computers
Graphene
Electrodes
Autoradiography
13 Citations
electrodes
Electrodes
Autoradiography
defects
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: Contribution to journalArticle

Anthralin
Electrodeposition
electrodeposition
Verbal Reinforcement
Carbuncle
3 Citations
Feline Sarcoma Viruses
Spontaneous Fractures
Autoradiography
Electrodes
Ostertagiasis
2014
9 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

alpha-Crystallin B Chain
Separators
Carbocyclic Acids
Acridines
Tensile stress
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: Contribution to journalArticle

alpha-Crystallin B Chain
Separators
Cimetidine
Carbamyl Phosphate
Dinitrophenols
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: Contribution to journalArticle

Autopsy
Anodes
anodes
Anthralin
Traffic Accidents
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: Contribution to journalArticle

44 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
Traffic Accidents
Autoradiography
Electrodes
elastic properties
10 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
Experiments
Common Bile Duct Diseases
Epichlorohydrin
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: Contribution to journalArticle

oxidation
Avian Leukosis
Nanowires
Aluminum
Oxides
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: Contribution to journalArticle

temperature
Acetanilides
Temperature
separators
alpha-Crystallin B Chain
9 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

Feline Sarcoma Viruses
coatings
energy
Acetabularia
African Swine Fever Virus
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: Contribution to journalArticle

Polypropylenes
Carbonates
Nanofibers
Separators
alpha-Crystallin B Chain
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: Contribution to journalArticle

Carbon nanotubes
Silicon
strings
carbon nanotubes
silicon
56 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

Prepaid Group Practice
Solid electrolytes
solid electrolytes
Feline Sarcoma Viruses
Arthroscopy
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: Contribution to journalArticle

carbon
Carbon nanofibers
electric batteries
anodes
silicon
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: Contribution to journalArticle

Autoradiography
Electrodes
electrodes
Aldosterone
Lithium
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

coatings
Coatings
Acetabularia
Friction
coefficient of friction
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: Contribution to journalArticle

Composite materials
Electrolytes
Ions
Temperature
Acetanilides
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: Contribution to journalArticle

nanowires
modulus of elasticity
oxides
tensile deformation
elastic deformation
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: Contribution to journalArticle

Edema Disease of Swine
Diamonds
Carbon
Common Bile Duct Diseases
Acetabularia
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: Contribution to journalArticle

electrodes
Autoradiography
Electrodes
Alginates
Binders
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
Graphene
adatoms
graphene
Alcohol Deterrents
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

Enzymes
cells
Cracks
cracks
Addison Disease
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: Contribution to journalArticle

Tungsten
Gold
Scanning Tunnelling Microscopy
Equipment Design
Semiconductors
123 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

Prepaid Group Practice
Interphase
Ion Transport
Electrolytes
Solid electrolytes
34 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: Contribution to journalArticle

Density functional theory
Acetanilides
Coccidiostats
Elastic moduli
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: Contribution to journalArticle

Phase field model
Electrolyte
Electrode
electrolytes
electrodes
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: Contribution to journalArticle

Addison Disease
Hemerythrin
Cestoda
Alkynes
Leukopenia
49 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: Contribution to journalArticle

Neutron Diffraction
Graphite
Lithium
Ions
Dilatation
2011
6 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: Contribution to journalArticle

Arabinofuranosylcytosine Triphosphate
Aluminum sheet
Acetanilides
Carbamyl Phosphate
Dinitrophenols

ECS Transactions: Preface

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

Research output: Contribution to journalArticle

2 Citations

First-principles study of void induced stresses at a diamond (100) grain boundary

Milas, I., Qi, Y., Sheldon, B. W. & Shenoy, V. B. Feb 1 2011 In : Journal of Applied Physics. 109, 3, 033518

Research output: Contribution to journalArticle

densification
grain boundaries
voids
diamonds
configurations