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Z. Shen, W. Bao, Z. Dang, He Li, R. Shang, M. Hu, Y. Wang*, J. Xie*, B. Qiao*, An Easy-to-Execute Data-Driven Method to Predict and Understand the Properties of Polymer Electrolytes based on Multivariate Linear Free Energy Relationship, submitted.
Z. Zhang, Z. Xu*, C. Shen, H. Zhao*, K. Wang, L. Cheng,Y. Wang, A computational model incorporating realistic microstructures for predicting effective thermal conductivity of polyimide nanofiber aerogel, submitted.
S. He, F. Xiao*, R. Hou, S. Zuo, Y. Zhou, X. Cai, Z. Li, Y. Wang, A. A. Catal, E. I. Galindo-Nava, X. Jin*, Accelerated learning and co-optimization of elastocaloric effect and stress hysteresis of elastocaloric alloys, submitted.
J. Huang, C. Li, H. Luo, L. Cheng, J. Gao, D. Jiang, G. Li, Z. Xu, D. Shin, Y. Wang, Y. Kim*, Solid-State Electrolytes for Lithium Metal Batteries: State‐of‐the‐Art and Perspectives, submitted.
R. Wang, J. Li, Y. Wang*, Atomistic Mechanisms of Ring Formation During Catalyzed Carbon Nanotube Growth, submitted.
J. Huang, L. Cheng, Z. Zhang, C. Li, K.-T. Bang, A. Liem, H. Luo, C. Hu, Y. M. Lee, Y. Wang*, Y. Kim*, Ionic Covalent Organic Framework and Poly(Ionic Liquid) Composite Electrolytes for All-Solid-State Lithium Metal Batteries, submitted.
Y. Yuan, D. Wang, Z. Zhang, K.-T. Bang, H. Chen, R. Wang, Y. Wang, Y. Kim*, Charge-Delocalized Triptycene-Based Ionic Porous Organic Polymers as Solid Electrolytes for Lithium-Metal Batteries, submitted.
Z. Zhang, H. Zhu, R. Yuan, S. Wang, Y. Wang, T. Fan, Y. Rezgui, D. Zhang, The Elastic Properties of Composites Reinforced by a 3D Voronoi Fibre Network with or without Missing Fibres, submitted.
Y. Yuan, Z. Zhang, Z. Zhang, K.-T. Bang, Y. Tian, Z. Dang, M. Gu, R. Wang, R. Tao, Y. Lu, Y. Wang, Y. Kim*, Highly Conductive Imidazolate Covalent Organic Frameworks with Ether Chains as Solid Electrolytes for Lithium Metal Batteries, Angew. Chem. Int. Ed., in press.
Z. Zhang#, H. Fang#, Z. Xu, J. Lv, Y. Shen, Y. Wang*, Multi-objective Generative Design of Three-Dimensional Composite Materials, APL Mach. Learn., 1(4), 046120 (2023).
C. Li, D. Wang, G. S. H. P. Ho, Z. Zhang, J. Huang, K. Bang, C. Y. Lau, S. Leu, Y. Wang, Y. Kim*, Anthraquinone-Based Silicate Covalent Organic Frameworks as Solid Electrolyte Interphase for High-Performance Lithium-Metal Batteries, J. Am. Chem. Soc., 145(45), 24603-24614 (2023).
Z. Zhang, P. Bai, Y. Xiao, Y. Guo*, Y. Wang*, Conformation-Induced Stiffening Effect of Crosslinked Polymer Thin Films, Commun. Physics, 6(1), 332 (2023).
Y. Deng#, Y. Wang#, K. Xu, Y. Wang*, A Lightweight Extendable Stacking Framework for Structure Classification in Atomistic Simulations, J. Chem. Theory Comput., 19(22), 8332-8339 (2023).
S. Peng, Y. Wang, M. Braun, Y. Yin, A. C. Meng, W. Tan, B. Saini, K. Severson, A. F. Marshall, K. Sytwu, J. Baniecki, J. Dionne, W. Cai and P. C. McIntyre*, Kinetics and Mechanism of Light-Induced Phase Separation in a Mixed-Halide Perovskite, Matter, 6(6), 2052-2065 (2023).
S. He, Y. Wang, Z. Zhang, F. Xiao*, S. Zuo, Y. Zhou, X. Cai, X. Jin*, Interpretable Machine Learning Workflow for Evaluation of the Transformation Temperatures of TiZrHfNiCoCu High Entropy Shape Memory Alloys, Mater. Design, 225, 111513 (2023).
Z. Wang, J. Wu, Y. Wang*, Revealing Atomistic Mechanisms of Gold-Catalyzed Germanium Growth Using Molecular Dynamics Simulations, J. Phys. Chem. C, 126(44), 18867-18875 (2022).
P. Li, Z. Sun, Y. Wang, R. Razaq, Y. Gao, S. Bo*, Overpotential-Regulated Stable Cycling of a Thin Magnesium Metal Anode, ACS Appl. Mater. Interfaces, 14(27), 31435-31447 (2022).
T. Xie, A. France-Lanord, Y. Wang, J. Lopez, Michael M. Stolberg, M. Hill, G. M. Leverick, R. Gomez-Bombarelli, J. A. Johnson, Y. Shao-Horn and Jeffrey C. Grossman*, Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties, Nat. Commun., 13(1), 1-10 (2022).
A. Jana, T. Zhu, Y. Wang, J. J. Adams, L. Kearney, A. Naskar, J. C. Grossman and N. Ferralis*, Atoms to Fibers: identifying novel processing methods in the synthesis of pitch-based carbon fibers, Sci. Adv., 8(11), eabn1905 (2022).
J. Chen, Y. Wang, W. Xu, Y. Wen, G. H. Ryu, J. C. Grossman, J. H. Warner*, Atomic Structure of Dislocations and Grain Boundaries in Two-Dimensional PtSe2, ACS Nano, 15(10), 16748-16759 (2021).
A. C. Meng, Y. Wang, M. R. Braun, J. Z. Lentz, S. Peng, H. Cheng, A. F. Marshall, W. Cai, P. C. McIntyre*, Bending and Precipitate Formation Mechanisms in Epitaxial Ge-Core/GeSn-Shell Nanowires, Nanoscale, 13, 17547-17555 (2021).
B. Huang*, R. R. Rao, S. You, K. H. Myint, Y. Song, Y. Wang, W. Ding, L. Giordano, Y. Zhang, T. Wang, S. Muy, Y. Katayama, J. C. Grossman, A. P. Willard, K. Xu, Y. Jiang and Yang Shao-Horn*, Cation- and pH- dependent hydrogen evolution and oxidation reaction kinetics, JACS Au, 1(10), 1674-1687 (2021).
B. Jin#,*, Y. Wang#, C. Jin, R. Tang*, Revealing Au13 as elementary clusters during the early formation of Au nanocrystal, J. Phys. Chem. Lett., 12, 5938-5943 (2021).
B. Huang*, K. H. Myint, Y. Wang, Y. Zhang, R, R Rao, J. Sun, S. Muy, Y. Katayama, J. C. Garcia, D. Fraggedakis, J. C. Grossman, M. Z. Bazant, K. Xu, A. P. Willard* and Y. Shao-Horn*, Cation-Dependent Interfacial Structures and Kinetics for Outer-Sphere Electron-Transfer Reactions, J. Phys. Chem. C, 125(8), 4397-4411 (2021).
P. Wang, R. Lu, A. France-Lanord, Y. Wang, J. C. Grossman* and T. M. Swager*, Cyclobutene Based Macrocycles, Mater. Chem. Front., 4, 3529-3538 (2020).
A. C. Meng, M. R. Braun, Y. Wang, S. Peng, W. Tan, J. Z. Lentz, M. Xue, A. Pakzad, A. F. Marshall, J. S. Harris, W. Cai, and P. C. McIntyre*, Growth Mode Control for Direct-Gap Core/Shell Ge/GeSn Nanowire Light Emission, Mater. Today, 40, 101-113 (2020).
Y. Wang, Tomas Sikola and Miroslav Kolibal*, Collector Droplet Behavior during Formation of Nanowire Junctions, J. Phys. Chem. Lett., 11, 6498-6504 (2020).
Y. Yin, N. R. Bertin, Y. Wang, Z. Bao and W. Cai*, Topological Origin of Strain Induced Damage of Elastomers by Bond Breaking, Extreme Mech. Lett., 40, 100883 (2020).
T. W. Nam, M. Kim, Y. Wang, G. Y. Kim, W. Choi, H. Lim, K. M. Song, D. Y. Jeon, J. C. Grossman and Y. S. Jung*, Thermodynamic-Driven Full-Colour Quantum Dot Patterning for Light-Emitting Diodes beyond the Eye-Limiting Resolution, Nat. Commun., 11, 3040 (2020).
Y. Wang#,*, T. Xie#, A. France-Lanord, A. Berkley, J. A. Johnson, Y. Shao-Horn and J. C. Grossman*, Toward Designing Highly Conductive Polymer Electrolytes by Machine Learning Assisted Coarse-Grained Molecular Dynamics, Chem. Mater., 32(10), 4144-4151 (2020).
A. France-Lanord, Y. Wang, T. Xie, Y. Shao-Horn, and J. C. Grossman*, Modelling the Effect of Chemical Variations on Lithium Transport in Poly(ethylene oxide)-Based Polymer Electrolytes at High Salt Concentration, Chem. Mater., 32(1), 121-126 (2020).