Ju Li

  • Battelle Energy Alliance Professor of Nuclear Science and Engineering and Professor of Materials Science and Engineering
  • B.S. in Physics, 1994, University of Science and Technology of China
  • Ph.D. in Nuclear Engineering, 2000, MIT

Ceramics; Computational Materials Science; Condensed Matter Physics; Electrochemistry; Electronic Materials; Energy Storage; Environment; Corrosion and Environmental Effects; Manufacturing; Materials Processing; Fracture, Fatigue, and Failure of Materials; Mechanical Behavior of Materials; Metallurgy; Nanotechnology; Nanomechanics; Phase Transformations; Semiconductors; Structural Materials; Composites; Thermodynamics; Transport Phenomena

Ju Li

Research

Overcoming Timescale Challenges in Atomistic Simulations

Atomistic and first-principles modeling, which describe the world as assembly of atoms and electrons, provide the most fundamental answer to problems of materials. However, they also suffer the most severe timescale limitations.  For instance, in molecular dynamics (MD) simulations, in order to resolve atomic vibrations, the integration time step is limited to hundredth of a picosecond, and therefore the simulation duration is limited to sub-microsecond due to computational cost. Although a nanosecond simulation is often enough (surprisingly) for many physical and chemical properties, it is usually insufficient for predicting microstructural evolution and thermo-mechanical properties of materials. There is clearly a timescale barrier between science-based simulations and practical demands such as understanding plant reliability and nuclear waste storage.

Energy Storage and Conversion

A close coupling of in situ experimental observations with modeling has proven to be a powerful paradigm for understanding materials behavior [Science 330 (2010) 1515; Nature 463 (2010) 335].  Based on such fundamental understandings, we are developing novel nanostructured materials for energy storage and conversion, in applications such as batteries, fuel cells and hydrogen-embrittlement resistant steels.

Materials in Extreme Environments and Far from Equilibrium

Materials in nuclear fission and fusion applications often involve exceptionally high stresses, high temperature and high radiation flux. We study the effects of radiation on microstructure and thermal, electrical and mass transport properties. The concept of fictive temperature(s) that characterize out-of-equilibrium materials is an intriguing statistical mechanics problem, with applications in glasses and even in soft biological materials.

Publications

2020

C. Wang, Zhao, X. -P., Liu, F. -F., Chen, Y., Xia, X. -H., and Li, J., “Dendrimer-Au Nanoparticle Network Covered Alumina Membrane for Ion Rectification and Enhanced Bioanalysis”, Nano Letters. American Chemical Society (ACS), 2020.
K. Chen et al., “Rafting‐Enabled Recovery Avoids Recrystallization in 3D‐Printing‐Repaired Single‐Crystal Superalloys”, Advanced Materials. Wiley, p. 1907164, 2020.
Q. Yu et al., “Sacrificial Polypropylene Carbonate Membrane for Dispersing Nanoparticles and Preparing Artificial Solid Electrolyte Interphase on Li Metal Anode”, ACS Applied Materials & Interfaces. American Chemical Society (ACS), 2020.
C. T. Sousa et al., “Gradient-morph LiCoO2 single crystals with stabilized energy density above 3400 W h L−1”, Energy & Environmental Science. Royal Society of Chemistry (RSC), 2020.
S. K. Elsaidi et al., “Radiation-resistant metal-organic framework enables efficient separation of krypton fission gas from spent nuclear fuel”, Nature Communications, vol. 11, no. 1. Springer Science and Business Media LLC, 2020.
X. Yao et al., “Protonic solid-state electrochemical synapse for physical neural networks”, Nature Communications, vol. 11, no. 1. Springer Science and Business Media LLC, 2020.
Y. Huang et al., “Lithium Manganese Spinel Cathodes for Lithium‐Ion Batteries”, Advanced Energy Materials. Wiley, p. 2000997, 2020.
H. Xu, Zhou, J., Wang, H., and Li, J., “Giant Photonic Response of Mexican-Hat Topological Semiconductors for Mid-Infrared to THz Applications”, The Journal of Physical Chemistry Letters. American Chemical Society (ACS), 2020.
Z. Zhu et al., “Stabilized Co‐Free Li‐Rich Oxide Cathode Particles with An Artificial Surface Prereconstruction”, Advanced Energy Materials. Wiley, p. 2001120, 2020.
B. J. Riley et al., “Metal-organic framework-polyacrylonitrile composite beads for xenon capture”, ACS Applied Materials & Interfaces. American Chemical Society (ACS), 2020.
J. Duan et al., “Is graphite lithiophobic or lithiophilic?”, National Science Review. Oxford University Press (OUP), 2020.
J. -P. Du, Geng, W. T., Arakawa, K., Li, J., and Ogata, S., “Hydrogen-Enhanced Vacancy Diffusion in Metals”, The Journal of Physical Chemistry Letters, vol. 11, no. 17. American Chemical Society (ACS), pp. 7015-7020, 2020.
J. Zhou, Zhang, S., and Li, J., “Normal-to-topological insulator martensitic phase transition in group-IV monochalcogenides driven by light”, NPG Asia Materials, vol. 12, no. 1. Springer Science and Business Media LLC, 2020.
J. Lee et al., “Kinetic Rejuvenation of Li-Rich Li-Ion Battery Cathodes upon Oxygen Redox”, ACS Applied Energy Materials, vol. 3, no. 8. American Chemical Society (ACS), pp. 7931-7943, 2020.
Y. Chen et al., “Li metal deposition and stripping in a solid-state battery via Coble creep”, Nature, vol. 578, no. 7794. Springer Science and Business Media LLC, pp. 251-255, 2020.
C. Li, Patra, J., Li, J., Rath, P. C., Lin, M. ‐H., and Chang, J. ‐K., “A Novel Moisture‐Insensitive and Low‐Corrosivity Ionic Liquid Electrolyte for Rechargeable Aluminum Batteries”, Advanced Functional Materials. Wiley, p. 1909565, 2020.

2019

A. Singh et al., “Near-infrared optical properties and proposed phase-change usefulness of transition metal disulfides”, Applied Physics Letters, vol. 115, no. 16. AIP Publishing, p. 161902, 2019.
H. Xu, Zhou, J., Li, Y., Jaramillo, R., and Li, J., “Optomechanical control of stacking patterns of h-BN bilayer”, Nano Research, vol. 12, no. 10. Springer Science and Business Media LLC, pp. 2634-2639, 2019.
C. Su et al., “Waterproof molecular monolayers stabilize 2D materials”, Proceedings of the National Academy of Sciences. Proceedings of the National Academy of Sciences, p. 201909500, 2019.
W. Xue et al., “FSI-inspired solvent and “full fluorosulfonyl” electrolyte for 4V-class lithium-metal batteries”, Energy & Environmental Science. Royal Society of Chemistry (RSC), 2019.
M. Yoon et al., “Unveiling Nickel Chemistry in Stabilizing High‐Voltage Cobalt‐Rich Cathodes for Lithium‐Ion Batteries”, Advanced Functional Materials. Wiley, p. 1907903, 2019.
Z. Zhu et al., “Gradient Li-rich oxide cathode particles immunized against oxygen release by a molten salt treatment”, Nature Energy, vol. 4, no. 12. Springer Science and Business Media LLC, pp. 1049-1058, 2019.
H. Fan et al., “Nanocrystalline Li–Al–Mn-Si Foil as Reversible Li Host: Electronic Percolation and Electrochemical Cycling Stability”, Nano Letters. American Chemical Society (ACS), 2019.

2018

J. Zhou, Xu, H., Li, Y., Jaramillo, R., and Li, J., “Opto-Mechanics Driven Fast Martensitic Transition in Two-Dimensional Materials”, Nano Letters, vol. 18. pp. 7794-7800, 2018.

2017

D. Feng, Ge, Z. -H., Chen, Y. -X., Li, J., and He, J., “Hydrothermal synthesis of SnQ (Q = Te, Se, S) and their thermoelectric properties”, Nanotechnology, vol. 28. p. 455707, 2017.
Y. Zheng, Wang, Y., Lu, Y., Hu, Y. -S., and Li, J., “A high-performance sodium-ion battery enhanced by macadamia shell derived hard carbon anode”, Nano Energy, vol. 39. pp. 489-498, 2017.
P. Zhao, Li, J., Hwang, J., and Wang, Y., “Influence of nanoscale structural heterogeneity on shear banding in metallic glasses”, Acta Materialia, vol. 134. pp. 104-115, 2017.
W. Xue et al., “Double-oxide sulfur host for advanced lithium-sulfur batteries”, Nano Energy, vol. 38. pp. 12-18, 2017.
S. Zhang, Zhao, K., Zhu, T., and Li, J., “Electrochemomechanical degradation of high-capacity battery electrode materials”, Progress in Materials Science, vol. 89. pp. 479-521, 2017.
M. -J. Lee, Lho, E., Bai, P., Chae, S., Li, J., and Cho, J., “Low-Temperature Carbon Coating of Nanosized Li1.015Al0.06Mn1.925O4 and High-Density Electrode for High-Power Li-Ion Batteries”, Nano Letters, vol. 17. pp. 3744-3751, 2017.
W. -Z. Han et al., “Helium Nanobubbles Enhance Superelasticity and Retard Shear Localization in Small-Volume Shape Memory Alloy”, Nano Letters, vol. 17. pp. 3725-3730, 2017.
B. Y. Guan, Kushima, A., Yu, L., Li, S., Li, J., and Lou, X. W., “Coordination Polymers Derived General Synthesis of Multishelled Mixed Metal-Oxide Particles for Hybrid Supercapacitors”, Advanced Materials, vol. 29. p. 1605902, 2017.
Y. Dong, Qi, L., Li, J., and Chen, I. -W., “A computational study of yttria-stabilized zirconia: I. Using crystal chemistry to search for the ground state on a glassy energy landscape”, Acta Materialia, vol. 127. pp. 73-84, 2017.
K. Liu, Bai, P., Bazant, M. Z., Wang, C. -A., and Li, J., “A soft non-porous separator and its effectiveness in stabilizing Li metal anodes cycling at 10 mA cm(-2) observed in situ in a capillary cell”, Journal of Materials Chemistry A, vol. 5. pp. 4300-4307, 2017.
S. -H. Li, Han, W. -Z., Li, J., Ma, E., and Shan, Z. -W., “Small-volume aluminum alloys with native oxide shell deliver unprecedented strength and toughness”, Acta Materialia, vol. 126. pp. 202-209, 2017.
Y. Dong, Qi, L., Li, J., and Chen, I. -W., “A computational study of yttria-stabilized zirconia: II. Cation diffusion”, Acta Materialia, vol. 126. pp. 438-450, 2017.
M. Wu et al., “Conetronics in 2D metal-organic frameworks: double/half Dirac cones and quantum anomalous Hall effect”, 2d Materials, vol. 4. p. 015015, 2017.
N. Xu, Han, W., Wang, Y., Li, J., and Shan, Z., “Nanoscratching of copper surface by CeO2”, Acta Materialia, vol. 124. pp. 343-350, 2017.
A. Kushima et al., “Liquid cell transmission electron microscopy observation of lithium metal growth and dissolution: Root growth, dead lithium and lithium flotsams”, Nano Energy, vol. 32. pp. 271-279, 2017.
S. Wang et al., “Ti3+-free three-phase Li4Ti5O12/TiO2 for high-rate lithium ion batteries: Capacity and conductivity enhancement by phase boundaries”, Nano Energy, vol. 32. pp. 294-301, 2017.
G. Xu, Yan, Q. -B., Kushima, A., Zhang, X., Pan, J., and Li, J., “Conductive graphene oxide-polyacrylic acid (GOPAA) binder for lithium-sulfur battery”, Nano Energy, vol. 31. pp. 568-574, 2017.

2016

L. Yang et al., “Chestnut-like SnO2/C nanocomposites with enhanced lithium ion storage properties”, Nano Energy, vol. 30. pp. 885-891, 2016.
L. Zhou et al., “Synthesis of High-Quality Large-Area Homogenous 1T \textquoteright MoTe2 from Chemical Vapor Deposition”, Advanced Materials, vol. 28. p. 9526 - +, 2016.
Q. -J. Li, Li, J., Shan, Z. -W., and Ma, E., “Strongly correlated breeding of high-speed dislocations”, Acta Materialia, vol. 119. pp. 229-241, 2016.
J. Zhang, Mao, Y., Wang, D., Li, J., and Wang, Y., “Accelerating ferroic ageing dynamics upon cooling”, Npg Asia Materials, vol. 8. p. e319, 2016.
X. Liu, Gu, J., Shen, Y., and Li, J., “Crystal metamorphosis at stress extremes: how soft phonons turn into lattice defects”, Npg Asia Materials, vol. 8. p. e320, 2016.
S. Huang et al., “In-Plane Optical Anisotropy of Layered Gallium Telluride”, Acs Nano, vol. 10. pp. 8964-8972, 2016.
X. Ding et al., “Enhanced electrochemical performance promoted by monolayer graphene and void space in silicon composite anode materials”, Nano Energy, vol. 27. pp. 647-657, 2016.
Z. Han et al., “On-chip chalcogenide glass waveguide-integrated mid-infrared PbTe detectors”, Applied Physics Letters, vol. 109. p. 071111, 2016.
Z. Zhu et al., “Anion-redox nanolithia cathodes for Li-ion batteries”, Nature Energy, vol. 1. p. 16111, 2016.
Y. -C. Wang et al., “In situ TEM study of deformation-induced crystalline-to-amorphous transition in silicon”, Npg Asia Materials, vol. 8. p. e291, 2016.
M. -S. Ding et al., “Radiation-Induced Helium Nanobubbles Enhance Ductility in Submicron-Sized Single-Crystalline Copper”, Nano Letters, vol. 16. pp. 4118-4124, 2016.
A. Ishii, Li, J., and Ogata, S., “Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation”, acknowledges support by KAKENHI Grant Nos. 23246025 (Scientific Research (A)), 22102003 (Scientific Research on Innovative Area), and 25630013 (Challenging Exploratory Research), and Elements Strategy Initiative for Structural Materials (ESISM). JL, vol. 82. pp. 32-43, 2016.
X. Wang et al., “Sample size effects on strength and deformation mechanism of Sc75Fe25 nanoglass and metallic glass”, Scripta Materialia, vol. 116. pp. 95-99, 2016.
H. Wang, Gou, G., and Li, J., “Ruddlesden-Popper perovskite sulfides A(3)B(2)S(7): A new family of ferroelectric photovoltaic materials for the visible spectrum”, Nano Energy, vol. 22. pp. 507-513, 2016.
K. P. So et al., “Dispersion of carbon nanotubes in aluminum improves radiation resistance”, Nano Energy, vol. 22. pp. 319-327, 2016.
X. Ling et al., “Parallel Stitching of 2D Materials”, Advanced Materials, vol. 28. pp. 2322-2329, 2016.
Y. -M. Chen et al., “Ultra-large suspended graphene as a highly elastic membrane for capacitive pressure sensors”, Nanoscale, vol. 8. pp. 3555-3564, 2016.
S. Hao et al., “Retaining Large and Adjustable Elastic Strains of Kilogram-Scale Nb Nanowires”, Acs Applied Materials & Interfaces, vol. 8. pp. 2917-2922, 2016.
C. Wu, Wang, H., Zhang, J., Gou, G., Pan, B., and Li, J., “Lithium-Boron (Li-B) Monolayers: First-Principles Cluster Expansion and Possible Two-Dimensional Superconductivityle”, Acs Applied Materials & Interfaces, vol. 8. pp. 2526-2532, 2016.
N. -qiang Zhang, Zhu, Z. -liang, Xu, H., Mao, X. -ping, and Li, J., “Oxidation of ferritic and ferritic-martensitic steels in flowing and static supercritical water”, Corrosion Science, vol. 103. pp. 124-131, 2016.
X. Ge, Gu, C., Yin, Z., Wang, X., Tu, J., and Li, J., “Periodic stacking of 2D charged sheets: Self-assembled superlattice of Ni-Al layered double hydroxide (LDH) and reduced graphene oxide”, Nano Energy, vol. 20. pp. 185-193, 2016.
R. He et al., “Coupling and Stacking Order of ReS2 Atomic Layers Revealed by Ultralow-Frequency Raman Spectroscopy”, Nano Letters, vol. 16. pp. 1404-1409, 2016.
J. Luo et al., “Size-Dependent Brittle-to-Ductile Transition in Silica Glass Nanofibers”, Nano Letters, vol. 16. pp. 105-113, 2016.
Y. Wang et al., “Does p-type ohmic contact exist in WSe2-metal interfaces?”, Nanoscale, vol. 8. pp. 1179-1191, 2016.
F. Tantakitti et al., “Energy landscapes and functions of supramolecular systems”, Nature Materials, vol. 15. pp. 469-476, 2016.

2015

A. Kushima, Koido, T., Fujiwara, Y., Kuriyama, N., Kusumi, N., and Li, J., “Charging/Discharging Nanomorphology Asymmetry and Rate-Dependent Capacity Degradation in Li-Oxygen Battery”, Nano Letters, vol. 15. pp. 8260-8265, 2015.
W. Li and Li, J., “Piezoelectricity in two-dimensional group-III monochalcogenides”, Nano Research, vol. 8. pp. 3796-3802, 2015.
X. Wang et al., “Growth Conditions Control the Elastic and Electrical Properties of ZnO Nanowires”, Nano Letters, vol. 15. pp. 7886-7892, 2015.
Z. -J. Wang et al., “Cyclic deformation leads to defect healing and strengthening of small-volume metal crystals”, Proceedings of the National Academy of Sciences of the United States of America, vol. 112. pp. 13502-13507, 2015.
Z. Li, Zhang, J. T., Chen, Y. M., Li, J., and Lou, X. W., “Pie-like electrode design for high-energy density lithium-sulfur batteries”, Nature Communications, vol. 6. p. 8850, 2015.
S. Li et al., “The interaction of dislocations and hydrogen-vacancy complexes and its importance for deformation-induced proto nano-voids formation in alpha-Fe”, International Journal of Plasticity, vol. 74. pp. 175-191, 2015.
W. Guo, Wang, Z., and Li, J., “Diffusive versus Displacive Contact Plasticity of Nanoscale Asperities: Temperature- and Velocity-Dependent Strongest Size”, Nano Letters, vol. 15. pp. 6582-6585, 2015.
X. Qian, Kawai, M., Goto, H., and Li, J., “Effect of twin boundaries and structural polytypes on electron transport in GaAs”, Computational Materials Science, vol. 108. pp. 258-263, 2015.
D. -G. Xie, Wang, Z. -J., Sun, J., Li, J., Ma, E., and Shan, Z. -W., “In situ study of the initiation of hydrogen bubbles at the aluminium metal/oxide interface”, Nature Materials, vol. 14. p. 899 - +, 2015.
X. Qian, Wang, Y., Li, W., Lu, J., and Li, J., “Modelling of stacked 2D materials and devices”, 2d Materials, vol. 2. p. 032003, 2015.
H. Li et al., “Optoelectronic crystal of artificial atoms in strain-textured molybdenum disulphide (vol 6, 7381, 2015)”, Nature Communications, vol. 6. p. 8080, 2015.
S. Li et al., “High-rate aluminium yolk-shell nanoparticle anode for Li-ion battery with long cycle life and ultrahigh capacity”, Nature Communications, vol. 6. p. 7872, 2015.
J. Li, “Diffusive origins”, Nature Materials, vol. 14. pp. 656-657, 2015.
C. -C. Wang et al., “Ultrafast shape change and joining of small-volume materials using nanoscale electrical discharge”, Nano Research, vol. 8. pp. 2143-2151, 2015.
W. -Z. Han et al., “From "Smaller is Stronger" to "Size-Independent Strength Plateau": Towards Measuring the Ideal Strength of Iron”, Advanced Materials, vol. 27. pp. 3385-3390, 2015.
H. Li et al., “Optoelectronic crystal of artificial atoms in strain-textured molybdenum disulphide”, Nature Communications, vol. 6. p. 7381, 2015.
M. Wakeda, Saida, J., Li, J., and Ogata, S., “Controlled Rejuvenation of Amorphous Metals with Thermal Processing”, Scientific Reports, vol. 5. p. 10545, 2015.
Y. Zhang et al., “Multiple stiffening effects of nanoscale knobs on human red blood cells infected with Plasmodium falciparum malaria parasite”, Proceedings of the National Academy of Sciences of the United States of America, vol. 112. pp. 6068-6073, 2015.
G. Wu et al., “Directing the Deformation Paths of Soft Metamaterials with Prescribed Asymmetric Units”, Advanced Materials, vol. 27. p. 2747 - +, 2015.
X. L. Wang et al., “Plasticity of a scandium-based nanoglass”, Scripta Materialia, vol. 98. pp. 40-43, 2015.
C. Wang et al., “Slurryless Li2S/Reduced Graphene Oxide Cathode Paper for High-Performance Lithium Sulfur Battery”, Nano Letters, vol. 15. pp. 1796-1802, 2015.
X. Qian, Fu, L., and Li, J., “Topological crystalline insulator nanomembrane with strain-tunable band gap”, Nano Research, vol. 8. pp. 967-979, 2015.
Z. He, Sheng, Y., Rong, Y., Lee, G. -D., Li, J., and Warner, J. H., “Layer-Dependent Modulation of Tungsten Disulfide Photoluminescence by Lateral Electric Fields”, Acs Nano, vol. 9. pp. 2740-2748, 2015.
A. Kushima, Qian, X., Zhao, P., Zhang, S., and Li, J., “Ripplocations in van der Waals Layers”, Nano Letters, vol. 15. pp. 1302-1308, 2015.
K. He et al., “Transitions from Near-Surface to Interior Redox upon Lithiation in Conversion Electrode Materials”, Nano Letters, vol. 15. pp. 1437-1444, 2015.
Y. Wang et al., “All-Metallic Vertical Transistors Based on Stacked Dirac Materials”, Advanced Functional Materials, vol. 25. pp. 68-77, 2015.
H. Zong, Ding, X., Lookman, T., Li, J., and Sun, J., “Uniaxial stress-driven coupled grain boundary motion in hexagonal close-packed metals: A molecular dynamics study”, Acta Materialia, vol. 82. pp. 295-303, 2015.
H. Zong, Ding, X., Lookman, T., Li, J., and Sun, J., “Uniaxial stress-driven coupled grain boundary motion in hexagonal close-packed metals: A molecular dynamics study”, Acta Materialia, vol. 82. pp. 295-303, 2015.

2014

J. Niu et al., “In Situ Observation of Random Solid Solution Zone in LiFePO4 Electrode”, Nano Letters, vol. 14. pp. 4005-4010, 2014.

2012

Y. J. Zhang et al., “Perpendicular exchange bias of [Pt/Co](n)/CoO multilayer on ordered nanosphere arrays”, Journal of Applied Physics, vol. 111. p. 053925, 2012.
Y. J. Zhang et al., “Perpendicular exchange bias of [Pt/Co](n)/CoO multilayer on ordered nanosphere arrays”, Journal of Applied Physics, vol. 111. 2012.

2004

T. Zhu, Li, J., Van Vliet, K. J., Ogata, S., Yip, S., and Suresh, S., “Predictive modeling of nanoindentation-induced homogeneous dislocation nucleation in copper”, Journal of the Mechanics and Physics of Solids, vol. 52. pp. 691-724, 2004.
J. Li, Zhu, T., Yip, S., Van Vliet, K. J., and Suresh, S., “Elastic criterion for dislocation nucleation”, Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, vol. 365. pp. 25-30, 2004.
K. J. Van Vliet, Li, J., Zhu, T., Choi, Y. J., Yip, S., and Suresh, S., Defect nucleation - Predictions through nanoscale experiments and computations, vol. 115. 2004.

2003

Y. Choi, Van Vliet, K. J., Li, J., and Suresh, S., “Size effects on the onset of plastic deformation during nanoindentation of thin films and patterned lines”, Journal of Applied Physics, vol. 94. pp. 6050-6058, 2003.
K. J. Van Vliet, Li, J., Zhu, T., Yip, S., and Suresh, S., “Quantifying the early stages of plasticity through nanoscale experiments and simulations”, Physical Review B, vol. 67. 2003.
T. Zhu, Li, J., Van Vliet, K. J., Yip, S., and Suresh, S., Simulation of nanoindentation via interatomic potential finite element method. 2003.

2002

J. Li, Van Vliet, K. J., Zhu, T., Yip, S., and Suresh, S., “Atomistic mechanisms governing elastic limit and incipient plasticity in crystals”, Nature, vol. 418. pp. 307-310, 2002.