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• Y. W. Zhao, D. H. Wu, T. T. Tang, C. Lyu, J. F. Li, S. P. Ji, C. Z. Yuan, K. San Hui, C. Y. Zha, K. N. Hui, H. Y. Chen, “In situ tailored strategy to remove capping agents from copper sulfide for building better lithium-sulfur batteries”, Journal of Materials Chemistry A 10, 4015-4023 (2022).
• Y. R. Wei, B. C. Yang, S. W. Wang, D. H. Wu, S. R. Zhang, H. Y. Chen, E. Ruckenstein, “Vacancy-vacancy pairs induced new phase formation in carbon boride: A design principle to achieve superior performance Li/Na-ion battery anodes”, EcoMat 4, e12150 (2022).
• X. Liu, J. Gong, X. J. Wei, L. Ni, H. Y. Chen, Q. J. Zheng, C. G. Xu, D. M. Lin, “MoO42--mediated engineering of Na3V2(PO4)(3) as advanced cathode materials for sodium-ion batteries”, J. Colloid Interface Sci. 606, 1897-1905 (2022).
• X. L. Zhao, L. Shao, Z. M. Wang, H. B. Chen, H. P. Yang, L. Zeng, “In situ atomically dispersed Fe doped metal-organic framework on reduced graphene oxide as bifunctional electrocatalyst for Zn-air batteries”, J. Mater. Chem. C 9, 11252-11260 (2021).
• X. J. Wei, J. C. Wei, Y. Z. Song, D. H. Wu, X. D. Liu, H. Y. Chen, P. Xiao, Y. H. Zhang, “Potassium mediated Co-Fe-based Prussian blue analogue architectures for aqueous potassium-ion storage”, Chem. Commun. 57, 7019-7022 (2021).
• M. Qi, Y. Zeng, M. Hou, Y. Gou, W. Song, H. Chen, G. Wu, Z. Jia, Y. Gao, H. Zhang, Z. Shao, “Free-standing and Ionomer-free 3D Platinum Nanotrough Fiber Network Electrode for Proton Exchange Membrane Fuel Cells”, Appl. Catal. B-Environ. 298, 120504 (2021).
• X. Q. Li, D. H. Wu, J. Yang, Q. X. Zhu, J. K. Wang, Y. Peng, T. P. Xie, H. Y. Chen, “Monoclinic BiPO4: Preparation, photocatalytic properties in experiment and theoretical calculation”, Sol. Energy 220, 440-449 (2021).
• D. H. Wu, B. C. Yang, S. R. Zhang, E. Ruckenstein, H. Y. Chen, “Reshaping two-dimensional MoS2 for superior magnesium-ion battery anodes”, J. Colloid Interface Sci. 597, 401-408 (2021).
• C. Y. Zha, D. H. Wu, X. Q. Gu, H. Y. Chen, “Triple-phase interfaces of graphene-like carbon clusters on antimony trisulfide nanowires enable high-loading and long-lasting liquid Li2S6-based lithium-sulfur batteries”, Journal of Energy Chemistry 59, 599-607 (2021).
• Z. J. Yin, H. Y. Chen, L. Yang, C. J. Peng, Y. H. Qin, T. L. Wang, W. Sun, C. W. Wang, “Investigations of CO2 Capture from Gas Mixtures Using Porous Liquids”, Langmuir 37, 1255-1266 (2021).
• L. Yang, J. F. Lu, H. Y. Chen, E. Ruckenstein, Y. H. Qin, T. L. Wang, W. Sun, C. W. Wang, “Screening and Improving Porous Materials for Ultradeep Desulfurization of Gasoline”, Ind. Eng. Chem. Res. 60, 604-613 (2021).
• C. Y. Zha, D. H. Wu, Y. W. Zhao, J. Deng, J. H. Wu, R. Wu, M. Yang, L. Wang, H. Y. Chen, “Two-dimensional multimetallic sulfide nanosheets with multi-active sites to enhance polysulfide redox reactions in liquid Li2S6-based lithium-polysulfide batteries”, Journal of Energy Chemistry 52, 163-169 (2021).
• T. Wang, X. Q. Tao, D. H. Wu, X. Y. Lu, Q. Yu, S. J. Liu, H. Y. Chen, B. X. Li, “High Activity and Stability of PdOx Anchored in Porous NiO Nanofibers for Catalyzing Suzuki Coupling Reactions”, J. Phys. Chem. C 124, 22539-22549 (2020).
• Y. Luo, Y. H. Wu, D. H. Wu, C. Huang, D. Z. Xiao, H. Y. Chen, S. L. Zheng, P. K. Chu, “NiFe-Layered Double Hydroxide Synchronously Activated by Heterojunctions and Vacancies for the Oxygen Evolution Reaction”, ACS Appl. Mater. Interfaces 12, 42850-42858 (2020).
• C. Huang, D. H. Wu, P. Qin, K. Ding, C. R. Pi, Q. D. Ruan, H. Song, B. Gao, H. Y. Chen, P. K. Chu, “Ultrafine Co nanodots embedded in N-doped carbon nanotubes grafted on hexagonal VN for highly efficient overall water splitting”, Nano Energy 73, 104788 (2020).
• D. H. Wu, B. C. Yang, H. Y. Chen, E. Ruckenstein, “New Findings on an Old Question: Can Defect-Free Graphene Monolayers be Superior Metal-Ion Battery Anodes?”, Adv. Sustain. Syst. 4, 1900152 (2020).
• X. M. Zhou, Y. Y. Yu, H. Y. Chen, L. Yang, Y. H. Qin, T. L. Wang, W. Sun, C. W. Wang, “Porous Material Screening and Evaluation for Deep Desulfurization of Dry Air”, Langmuir 36, 2775-2785 (2020).
• C. Y. Zha, X. R. Zhu, J. Deng, Y. Zhou, Y. S. Li, J. M. Chen, P. Ding, Y. P. Hu, Y. F. Li, H. Y. Chen, “Facet-tailoring five-coordinated Ti sites and structure-optimizing electron transfer in a bifunctional cathode with titanium nitride nanowire array to boost the performance of Li2S6-based lithium-sulfur batteries”, Energy Storage Mater. 26, 40-45 (2020).
• S. W. Wang, B. C. Yang, E. Ruckenstein, H. Y. Chen, “Bco-C24: A new 3D Dirac nodal line semi-metallic carbon honeycomb for high performance metal-ion battery anodes”, Carbon 159, 542-548 (2020).
• C. Yu, L. Yang, H. Y. Chen, Y. H. Qin, T. L. Wang, W. Sun, C. W. Wang, “Microscale investigations of mechanical responses of TKX-50 based polymer bonded explosives using MD simulations”, Comput. Mater. Sci. 172, 109287 (2020).
• S. W. Wang, Z. R. Chen, B. C. Yang, H. Y. Chen, E. Ruckenstein, “Mechanical deformation: A feasible route for reconfiguration of inner interfaces to modulate the high performance of three-dimensional porous carbon material anodes in stretchable lithium-Ion batteries”, J. Colloid Interface Sci. 555, 431-437 (2019).
• D. H. Wu, B. C. Yang, H. Y. Chen, E. Ruckenstein, “Mechanical deformation induced charge redistribution to promote the high performance of stretchable magnesium-ion batteries based on two-dimensional C2N anodes”, Nanoscale 11, 15472-15478 (2019).
• S. W. Wang, Y. B. Si, B. C. Yang, E. Ruckenstein, H. Y. Chen, “Two-Dimensional Carbon-Based Auxetic Materials for Broad-Spectrum Metal-Ion Battery Anodes”, J. Phys. Chem. Lett. 10, 3269-3275 (2019).
• C. Y. Zha, X. Q. Gu, D. H. Wu, H. Y. Chen, “Interfacial active fluorine site-induced electron transfer on TiO2 (001) facets to enhance polysulfide redox reactions for better liquid Li2S6-Based lithium-sulfur batteries”, Journal of Materials Chemistry A 7, 6431-6438 (2019).
• M. Li, H. Y. Chen, X. Q. Xiao, L. Yang, C. J. Peng, Y. H. Qin, T. L. Wang, W. Sun, C. W. Wang, “Computational study of transition states for reaction path of energetic material TKX-50”, J. Energ. Mater. 37, 240-250 (2019).
• H. Y. Chen, E. Ruckenstein, “Nanoseparation of Nanoparticle Mixtures with Similar Surface Structures through a Facile Two-Step Approach”, Ind. Eng. Chem. Res. 58, 3420-3426 (2019).
• D. H. Wu, B. C. Yang, E. Ruckenstein, H. Y. Chen, “Functionalization: An Effective Approach to Open and Close Channels for Electron Transfer in Nitrogenated Holey Graphene C2N Anodes in Sodium-Ion Batteries”, J. Phys. Chem. Lett. 10, 721-726 (2019).
• S. W. Wang, B. C. Yang, H. Y. Chen, E. Ruckenstein, “Reconfiguring graphene for high-performance metal-ion battery anodes”, Energy Storage Mater. 16, 619-624 (2019).
• D. H. Wu, B. C. Yang, H. Y. Chen, E. Ruckenstein, “Nitrogenated holey graphene C2N monolayer anodes for lithium- and sodium-ion batteries with high performance”, Energy Storage Mater. 16, 574-580 (2019).
• Z. G. Yan, S. Tang, X. M. Zhou, L. Yang, X. Q. Xiao, H. Y. Chen, Y. H. Qin, W. Sun, “All-silica zeolites screening for capture of toxic gases from molecular simulation”, Chin. J. Chem. Eng. 27, 174-181 (2019).
• D. H. Wu, S. W. Wang, S. R. Zhang, Y. B. Liu, Y. C. Ding, B. C. Yang, H. Y. Chen, “Stabilization of two-dimensional penta-silicene for flexible lithium-ion battery anodes via surface chemistry reconfiguration”, Phys. Chem. Chem. Phys. 21 (2019).
• C. Y. Zha, D. H. Wu, T. K. Zhang, J. H. Wu, H. Y. Chen, “A facile and effective sulfur loading method: Direct drop of liquid Li2S8 on carbon coated TiO2 nanowire arrays as cathode towards commercializing lithium-sulfur battery”, Energy Storage Mater. 17, 118-125 (2019).
• D. H. Wu, J. Y. Yuan, B. C. Yang, H. Y. Chen, “Adsorption, hydrogenation and dehydrogenation of C2H on a CoCu bimetallic layer”, Surf. Sci. 671, 36-42 (2018).
• X. M. Zhou, Z. J. Su, H. Y. Chen, X. Q. Xiao, Y. H. Qin, L. Yang, Z. G. Yan, W. Sun, “Capture of pure toxic gases through porous materials from molecular simulations”, Mol. Phys. 116, 2095-2107 (2018).
• D. H. Wu, S. W. Wang, S. R. Zhang, J. Y. Yuan, B. C. Yang, H. Y. Chen, “Highly negative Poisson's ratio in a flexible two-dimensional tungsten carbide monolayer”, Phys. Chem. Chem. Phys. 20 (2018).
• C. Y. Zha, F. L. Yang, J. J. Zhang, T. K. Zhang, S. Dong, H. Y. Chen, “Promoting polysulfide redox reactions and improving electronic conductivity in lithium-sulfur batteries via hierarchical cathode materials of graphene-wrapped porous TiO2 microspheres with exposed (001) facets”, Journal of Materials Chemistry A 6, 16574-16582 (2018).
• S. W. Wang, B. C. Yang, H. Y. Chen, E. Ruckenstein, “Popgraphene: a new 2D planar carbon allotrope composed of 5-8-5 carbon rings for high-performance lithium-ion battery anodes from bottom-up programming”, Journal of Materials Chemistry A 6, 6815-6821 (2018).
• S. W. Wang, D. H. Wu, B. C. Yang, E. Ruckenstein, H. Y. Chen, “Semimetallic carbon honeycombs: new three-dimensional graphene allotropes with Dirac cones”, Nanoscale 10, 2748-2754 (2018).
• H. Y. Chen, E. Ruckenstein, “Tunable Primary and Secondary Encapsulation of a Charged Nonspherical Nanoparticle: Insights from Brownian Dynamics Simulations”, Ind. Eng. Chem. Res. 56, 1646-1651 (2017).
• D. H. Wu, S. W. Wang, J. Y. Yuan, B. Yang, H. Y. Chen, “Modulation of the electronic and mechanical properties of phagraphene via hydrogenation and fluorination”, Phys. Chem. Chem. Phys. 19, 11771-11777 (2017).
• S. W. Wang, Z. C. Fan, Y. Cui, S. R. Zhang, B. C. Yang, H. Y. Chen, “Fracture behaviors of brittle and ductile 2D carbon structures under uniaxial tensile stress”, Carbon 111, 486-492 (2017).
• S. W. Wang, Y. B. Si, J. Y. Yuan, B. C. Yang, H. Y. Chen, “Tunable thermal transport and mechanical properties of graphyne heterojunctions”, Phys. Chem. Chem. Phys. 18, 24210-24218 (2016).
• H. Y. Chen, E. Ruckenstein, “Controlling Nanorod Oligomer Aggregation in Solutions”, J. Phys. Chem. C 120, 16913-16918 (2016).
• H. W. Kang, Y. B. Si, J. Liu, L. Chen, Y. C. Li, H. Y. Chen, J. Groeper, B. C. Yang, “An experimental and theoretical study of dimethylaminostyryl BODIPY-perylenetetracarboxylic derivative dyads: synthesis, properties and DFT calculation”, RSC Adv. 6, 23094-23101 (2016).
• J. Y. Yuan, G. W. Li, B. C. Yang, J. P. Zhang, Z. J. Li, H. Y. Chen, “Selective adsorption of ethylene on bimetallic CuVn (+/0) (n=1-5) clusters: A theoretical study”, Comput. Mater. Sci. 111, 489-496 (2016).
• H. Y. Chen, E. Ruckenstein, “Hydrated Ions: From Individual Ions to Ion Pairs to Ion Clusters”, J. Phys. Chem. B 119, 12671-12676 (2015).
• S. W. Wang, B. C. Yang, J. Y. Yuan, Y. B. Si, H. Y. Chen, “Large-Scale Molecular Simulations on the Mechanical Response and Failure Behavior of a defective Graphene: Cases of 5-8-5 Defects”, Sci. Rep. 5, 14957 (2015).
• Y. B. Si, B. C. Yang, H. M. Qin, J. Y. Yuan, S. W. Wang, H. Y. Chen, Y. Zhao, “Atomistic Modeling of Triplet-Triplet Energy-Transfer Rates from Drug (S)-Propranolol to (R)-Cinacalcet in Human alpha(1)-Acid Glycoprotein”, J. Phys. Chem. C 119, 8014-8022 (2015).
• J. Y. Yuan, B. C. Yang, G. W. Li, Y. B. Si, S. W. Wang, S. R. Zhang, H. Y. Chen, “Geometries and electronic properties of bimetallic CuVn (n=1-5) clusters and their cations: Insight from density functional calculations”, Comput. Mater. Sci. 102, 213-219 (2015).
• B. C. Yang, S. W. Wang, Y. Z. Guo, J. Y. Yuan, Y. B. Si, S. R. Zhang, H. Y. Chen, “Strength and failure behavior of a graphene sheet containing bi-grain-boundaries”, RSC Adv. 4, 54677-54683 (2014).
• H. Y. Chen, E. Ruckenstein, “Nanomembrane Containing a Nanopore in an Electrolyte Solution: A Molecular Dynamics Approach”, J. Phys. Chem. Lett. 5, 2979-2982 (2014).
• S. W. Wang, B. C. Yang, S. R. Zhang, J. Y. Yuan, Y. B. Si, H. Y. Chen, “Mechanical Properties and Failure Mechanisms of Graphene under a Central Load”, ChemPhysChem 15, 2749-2755 (2014).
• J. Y. Yuan, S. W. Wang, Y. B. Si, B. C. Yang, H. Y. Chen, “Investigation of ternary ConCN-1/0 (n=1-5) clusters by density functional calculations”, Dalton Trans. 43, 5516-5525 (2014).
• H. Y. Chen, E. Ruckenstein, “Micellar Structures in Nanoparticle-Multiblock Copolymer Complexes”, Langmuir 30, 3723-3728 (2014).
• H. Y. Chen, E. Ruckenstein, “Formation and Degradation of Multicomponent Multicore Micelles: Insights from Dissipative Particle Dynamics Simulations”, Langmuir 29, 5428-5434 (2013).
• H. Y. Chen, E. Ruckenstein, “Formation of complex colloidal particles: morphologies and mechanisms”, Soft Matter 8, 8911-8916 (2012).
• Y. F. Wu, H. Y. Chen, “Prediction of band gap reduction and magnetism in (Cu, S)-codoped ZnO”, J. Magn. Magn. Mater. 324, 2153-2157 (2012).
• C. T. Liu, J. Ma, H. Y. Chen, “Periodical structural conversion and its mechanism in hematite: from nanospindles, to nanotubes, to nanotires”, RSC Adv. 2, 1009-1013 (2012).
• H. Y. Chen, E. Ruckenstein, “Self-assembly of pi-shaped copolymers”, Soft Matter 8, 1327-1333 (2012).
• H. Y. Chen, E. Ruckenstein, “Aggregation of nanoparticles in a block copolymer bilayer”, J. Colloid Interface Sci. 363, 573-578 (2011).
• H. Y. Chen, E. Ruckenstein, “Relation between molecular orientation and morphology of a multiblock copolymer melt confined in cylindrical nanopores”, Polymer 51, 968-974 (2010).
• H. Y. Chen, X. Q. Chen, Z. C. Ye, H. L. Liu, Y. Hu, “Competitive Adsorption and Assembly of Block Copolymer Blends on Nanopatterned Surfaces”, Langmuir 26, 6663-6668 (2010).
• H. Y. Chen, E. Ruckenstein, “Structure and particle aggregation in block copolymer-binary nanoparticle composites”, Polymer 51, 5869-5882 (2010).
• H. Y. Chen, E. Ruckenstein, “The driving force of channel formation in triheteropolymers confined in nanocylindrical tubes”, J. Chem. Phys. 130, 024901 (2009).
• H. Y. Chen, E. Ruckenstein, “The structure of nanochannels formed by block copolymer solutions confined in nanotubes”, J. Chem. Phys. 131, 114904 (2009).
• H. Y. Chen, E. Ruckenstein, “Nanostructures Self-Assembled in Polymer Solutions Confined in Cylindrical Nanopores”, Langmuir 25, 12315-12319 (2009).
• H. Y. Chen, E. Ruckenstein, “Nanoparticle aggregation in the presence of a block copolymer”, J. Chem. Phys. 131, 244904 (2009).