#: equal contribution; *: corresponding author.
2024
- S. Liu*,#, R. Wang#, X. Cai, Y. Wang*, Revealing Electron Beam Facilitated Nano-Zinc Oxide Structural Evolution, submitted.
- Y. Liu#, Y. Deng#, Y. Wang, L. Wang, T. Liu, Z. Gong, Z. Fan, Z. Su*, Y. Wang*, Y. Dan*, Defects in graphite engineered by ion implantation for the self-assembly of gold nanoparticles, submitted.
- Z.-K. Xie#, F. Cui #, J. Wu#, Y. Zhang, Z. Zhang, J. Fu, R. Shang, Y. Ruan, G. Liu, Y. Wang*, J. Xie*, J. Yan*, B. Qiao*, The Optimal Arm Length for Star Polymer Electrolytes, submitted.
- Z. Zhang#, R. Wang#, Z. Wei, Y. Wei, Z. Liu, Z. Guo, S. Hu, Y. Zhao, Y. Wang*, R. Tao*, Z. Zhang*, X. Zang*, Size and Color-Center Controllable Nanocrystalline Diamonds from Low-Grade Coals, submitted.
- N. Si, R. Wang, Q. He, S. Liu*, Y. Wang*, Q. Yuan*, PtSe2 nano-crystallization via an intermediate Pt5Se4 phase, submitted.
- 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, 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.
- L. Cheng, Y. Deng, J. Huang, Z. Zhang, H. Duan*, Y. Kim*, Y. Wang*, Atomistic Transport Mechanisms in Lithium Salt-Doped Ionic Covalent Organic Framework Electrolytes, Batter. Supercaps, in press. (Invited)
- Q. He#, D. Wang#, H. Qiu, N. Si, Q. Yuan, R. Wang, S. Liu*, Y. Wang*, Highly Air-stable N-doped Two-Dimensional Violet Phosphorus with Atomically Flat Surfaces, ACS Nano, in press.
- Z. Dang, Z. Tang, J. Wu, Y. Chang, Y. Wang*, Unraveling the Reaction Networks and Key Pathways During the Gas Phase Stage in CVD Synthesis of MoS2, Chem. Eng. J., in press.
- C. Li, D. Wang, Z. Zhang, J. U. Choi, J. Huang, K.-T. Bang, S. Xu, Y. Wang, Y. Kim*, Poly(norbornene-diphenothiazine) for Electrochemical Capture and Release of Chromium and Arsenic Oxyanions from Water, Energy Environ. Mater., in press.
- 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, Adv. Funct. Mater., 2411171 (2024).
- X. Hui, Z. Zhan, Z. Zhang, J. Yu, P. Jiang, Z. Dang, J. Wang, S. Cai*, Y. Wang*, Z. Xu*, Missing-linker Metal-organic Frameworks Regulated Single Zn2+ Conducting Solid Polymer Electrolytes for Stable Zinc Metal Batteries, ACS Nano, 18(36), 25237-25248 (2024).
- Y. Mu, S. Liu, Y. Wang, Z. Liu, M. Zhao*, Understanding electron transport mechanisms in monolayer MoS2 transistors: Impact of lattice phonon scattering and localized charge traps, Phys. Rev. B, 110(11), 115414 (2024).
- 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, ACS Appl. Mater. Interfaces, 16(34), 44957-44966 (2024).
- 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, Rare Met., (2024).
- 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, Next Mater., 5, 100221 (2024).
- J. Huang, L. Cheng, Z. Zhang, C. Li, K.-T. Bang, A. Liem, H. Luo, C. Hu, Y. M. Lee, Y. Wang*, Y. Kim*, High-Performance All-Solid-State Lithium Metal Batteries Enabled by Ionic Covalent Organic Framework Composites, Adv. Energy Mater., 2400762 (2024).
- R. Wang, J. Li, Y. Wang*, Atomistic Mechanisms of Ring Formation During Catalyzed Carbon Nanotube Growth, J. Phys. Chem. C, 128 (12), 5112–5119 (2024).
- 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., 63, e20240220 (2024).
2023
- 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).
2022
- 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).
2021
- 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).
2020
- 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).
2019
- B. Jin, C. Shao, Y. Wang, Z. Mu, Z. Liu* and R. Tang*, Anisotropic Epitaxial Behavior in the Amorphous Phase-Mediated Hydroxyapatite Crystallization Process: A New Understanding of Orientation Control, J. Phys. Chem. Lett., 10, 7611-7616 (2019).
- Y. Wang*, A. C. Meng, P. C. McIntyre and W. Cai*, Phase-Field Investigation of the Stages in Radial Growth of Core-Shell Ge/Ge1−xSnx Nanowires, Nanoscale, 11, 21974-21980 (2019).
- Y. Kim, Y. Wang#, A. France-Lanord#, Y. Wang, Y. M. Wu, S. Lin, Y. Li, J. C. Grossman* and T. M. Swager*, Ionic Highways in Pyrazolium Cross-Linked Triptycene Polymers for Anion Exchange Membrane Fuel Cells, J. Am. Chem. Soc., 41(45), 18152-18159 (2019).
- T. Xie, A. France-Lanord, Y. Wang, Y. Shao-Horn and J. C. Grossman*, Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics in Materials, Nat. Commun., 10, 2667 (2019).
- B. Jin, Y. Wang, Z. Liu, A. France-Lanord, J. C. Grossman, C. Jin* and R. Tang*, Revealing the Cluster-Cloud and Its Role in Nanocrystallization, Adv. Mater., 30, 1808225 (2019).
- A. C. Meng, M. R. Braun, Y. Wang, C. S. Fenrich, M. Xue, D. R. Diercks, B. P. Gorman, M-I. Richard, A. F. Marshall, W. Cai, J. S. Harris, and P. C. McIntyre*, Coupling of Coherent Misfit Strain and Composition Distributions in Core-shell Ge/Ge1−xSnx Nanowire Light Emitters, Mater. Today Nano, 5, 100026 (2019).
2018
- Y. Wang*, P. Woytowitz, D. Mui and W. Cai*, Stability of Nano-Fin Arrays Against Collapse Predicted by Phase Field Modeling, J. Vac. Sci. Technol. B, 36(5), 051602 (2018).
- X. Zhang, Y. Wang and W. Cai*, Anisotropy Effect on Strain Induced Instability during Growth of Heteroepitaxial Films, J. Mater. Sci., 53(8), 5777-5785 (2018).
- J. Wang#,*, Y. Wang#, W. Cai*, J. Li, Z. Zhang and S. X. Mao*, Discrete Shear Band Plasticity through Dislocation Activities in Body-Centered Cubic Tungsten Nanowires, Sci. Rep., 8, 4574 (2018).
2017
- Y. Wang, A. Santana* and W. Cai, Atomistic Mechanisms of Orientation and Temperature Dependence in Gold-Catalyzed Silicon Growth, J. Appl. Phys., 122(8), 085106 (2017).
- R. Ramachandramoorthy#, Y. Wang#, A. Aghaei, G. Richter, W. Cai* and H. D. Espinosa*, Reliability of Single Crystal Silver Nanowire-Based Systems: Stress Assisted Instabilities, ACS Nano, 11(5), 4768-4776 (2017).
- Y. Wang*, P. C. McIntyre and W. Cai*, Phase Field Model for Morphological Transition in Nanowire Vapor-Liquid-Solid Growth, Cryst. Growth Des., 17(4), 2211-2217 (2017).
- J. Xu#, S. Wang#, G.-J. N. Wang, C. Zhu, S. Luo, L. Jin, X. Gu, S. Chen, V. R. Feig, J. W. F. To, S. Rondeau-Gagné, J. Park, B. C. Schroeder, C. Lu, J. Y. Oh, Y. Wang, Y.-H. Kim, H. Yan, R. Sinclair, D. Zhou, G. Xue, B. Murmann, C. Linder, W. Cai, J. B.-H. Tok, J. W. Chung* and Z. Bao*, Highly Stretchable Polymer Semiconductor Films through Nanoconfinement Effect, Science, 355(6320), 59-64 (2017).
2016
- Y. Wang, A. Santana* and W. Cai, Au-Ge MEAM Potential Fitted to the Binary Phase Diagram, Modelling Simul. Mater. Sci. Eng., 25, 025004 (2016).
- Y. Li#, Y. Wang#,*, S. Ryu, A. F. Marshall, W. Cai and P. C. McIntyre, Spontaneous, Defect-Free Kinking via Capillary Instability during Vapor-Liquid-Solid Nanowire Growth, Nano Lett., 16(3), 1713-1718 (2016).
- L. Zhang, Y. Shen*, L. Zhang, Y. Wang, X. Xiong and L. Zhang, Effects of Interface Anisotropy and Isotropic Driving Force on the Growth of Steady-State Shape in Phase-field Modeling, Comput. Mater. Sci., 111, 313-321 (2016).
2015
- Y. Wang* and W. Cai, Evaluation of the Surface Tension of Silicon-Gold Binary Liquid Alloy, Mater. Sci. Forum, 817, 772 (2015).
- H. Wang, Y. Wang, B. C.-K. Tee, K.P. Kim, J. Lopez, W. Cai and Z. Bao*, Shape-Controlled, Self-Wrapped Carbon Nanotube 3D Electronics, Adv. Sci., 2(9) (2015).
2014
- S. Xu, D. Thian, S. Wang, Y. Wang and F. B. Prinz*, Effects of Size Polydispersity on Electron Mobility in a Two-Dimensional Quantum-Dot Superlattice, Phys. Rev. B, 90, 144202 (2014).
- Y. Wang, S. Ryu, P. C. McIntyre and W. Cai*, A Three-Dimensional Phase Field Model for Nanowire Growth by the Vapor-Liquid-Solid Mechanism, Modelling Simul. Mater. Sci. Eng., 22, 055005 (2014).