Publications
(1)
Xiao, H.; Li, R.; Shi, X.; Chen, Y.; Zhu, L.; Chen, X.; Wang, L. An Invertible, Invariant Crystal Representation for Inverse Design of Solid-State Materials Using Generative Deep Learning. Nat Commun 2023, 14 (1), 7027. https://doi.org/10.1038/s41467-023-42870-7.
(2)
Shi, X.; Xiao, H.; Liu, W.; Lackner, Klaus. S.; Buterin, V.; Stocker, T. F. Confronting the Carbon-Footprint Challenge of Blockchain. Environ. Sci. Technol. 2023, 57 (3), 1403–1410. https://doi.org/10.1021/acs.est.2c05165.
(3)
Li, R.; Xiao, H.; Chen, Y. Rippled Blue Phosphorene with Tunable Energy Band Structures and Negative Poisson’s Ratio. AIP Advances 2023, 13 (12).
(4)
Tian, H.; Wang, K.; Shui, Z.; Ali Raza, M.; Xiao, H.; Que, M.; Zhu, L.; Chen, X. Enhanced CO2 Electroreduction on Co Active Site of Cobalt Phthalocyanine by Electronic Effect. Materials Letters 2022, 310, 131482. https://doi.org/10.1016/j.matlet.2021.131482.
(5)
Shui, Z.; Zhao, W.; Xiao, H.; Zhu, L.; Liu, Y.; Deng, X.; Chen, X. Controllable Porous Perovskite with Three-Dimensional Ordered Structure as an Efficient Oxygen Reduction Reaction Electrocatalyst for Flexible Aluminum-Air Battery. Journal of Power Sources 2022, 523, 231028. https://doi.org/10.1016/j.jpowsour.2022.231028.
(6)
Xiong, Z.; Xiao, H.; Chen, X. Fractal-Inspired Soft Deployable Structure: A Theoretical Study. Soft Matter 2021, 17 (18), 4834–4841. https://doi.org/10.1039/D1SM00006C.
(7)
Wan, J.; Bi, W.; Liao, X.; Xiao, H.; Chen, X.; Chen, J. Gas Diffusion in Polymer Nanocomposites: Role of Defects and Caves in Fillers. J Polym Res 2021, 28 (10), 368. https://doi.org/10.1007/s10965-021-02731-7.
(8)
Lu, C.; Shi, X.; Liu, Y.; Xiao, H.; Li, J.; Chen, X. Nanomaterials for Adsorption and Conversion of CO2 under Gentle Conditions. Materials Today 2021, 50, 385–399. https://doi.org/10.1016/j.mattod.2021.03.016.
(9)
Han, Y.; Zhu, L.; Yao, Y.; Shi, X.; Zhang, Y.; Xiao, H.; Chen, X. Strong Bases Behave as Weak Bases in Nanoscale Chemical Environments: Implication in Humidity-Swing CO2 Air Capture. Phys. Chem. Chem. Phys. 2021, 23 (27), 14811–14817. https://doi.org/10.1039/D1CP01121A.
(10)
Chen, Y.; Liao, X.; Zhao, W.; Yang, P.; Xiao, H.; Liu, Y.; Chen, X. Post-Wrinkling Behaviors of a Bilayer on a Soft Substrate. International Journal of Solids and Structures 2021, 214–215, 74–79. https://doi.org/10.1016/j.ijsolstr.2021.01.002.
(11)
Zhu, L.; Zhao, W.; Yan, Y.; Liao, X.; Bourtsalas, A.; Dan, Y.; Xiao, H.; Chen, X. Interaction between Mechanosensitive Channels Embedded in Lipid Membrane. Journal of the Mechanical Behavior of Biomedical Materials 2020, 103, 103543. https://doi.org/10.1016/j.jmbbm.2019.103543.
(12)
Zheng, Y.; Liao, X.; Xiao, H.; Haribal, V.; Shi, X.; Huang, Z.; Zhu, L.; Li, K.; Li, F.; Wang, H.; Chen, X. Highly Efficient Reduction of O2-Containing CO2 via Chemical Looping Based on Perovskite Nanocomposites. Nano Energy 2020, 78, 105320. https://doi.org/10.1016/j.nanoen.2020.105320.
(13)
Xiao, H.; Dan, Y.; Suo, B.; Chen, X. Comment on “Accelerated Discovery of New 8-Electron Half-Heusler Compounds as Promising Energy and Topological Quantum Materials.” The Journal of Physical Chemistry C 2020, 124 (3), 2247–2249.
(14)
Wang, M.; Zhang, J.; Wang, Z.; Wang, C.; van Smaalen, S.; Xiao, H.; Chen, X.; Du, C.; Xu, X.; Tao, X. Broadband CrOCl Saturable Absorber with a Spectral Region Extension to 10.6 Μm. Advanced Optical Materials 2020, 8 (2), 1901446.
(15)
Shi, X.; Xiao, H.; Kanamori, K.; Yonezu, A.; Lackner, K. S.; Chen, X. Moisture-Driven CO2 Sorbents. Joule 2020, 4 (8), 1823–1837. https://doi.org/10.1016/j.joule.2020.07.005.
(16)
Shi, X.; Xiao, H.; Azarabadi, H.; Song, J.; Wu, X.; Chen, X.; Lackner, K. S. Sorbents for the Direct Capture of CO2 from Ambient Air. Angewandte Chemie International Edition 2020, 59 (18), 6984–7006.
(17)
Mills, J. A.; Xiao, H.; Chen, X. Examination of Prestressed Coating/Substrate Systems Using Spherical Indentation—Determination of Film Prestress, Film Modulus, and Substrate Modulus. J. Eng. Mater. Technol 2020, 142 (1), 011003. https://doi.org/10.1115/1.4043628.
(18)
Ju, D.; Lin, G.; Xiao, H.; Zhang, Y.; Su, S.; Liu, J. Investigation of Water-Stable Perovskite DMASnIxBr3- x for Photoenzyme Catalysis in Aqueous Solution. Solar RRL 2020, 2000559.
(19)
Zhu, L.; Cui, Q.; Xiao, H.; Liao, X.; Chen, X. Gating and Inactivation of Mechanosensitive Channels of Small Conductance: A Continuum Mechanics Study. Journal of the Mechanical Behavior of Biomedical Materials 2019, 90, 502–514. https://doi.org/10.1016/j.jmbbm.2018.10.040.
(20)
Yang, P.; Wang, X.; Dang, F.; Yang, Z.; Liu, Z.; Yan, Y.; Zhu, L.; Liu, Y.; Xiao, H.; Chen, X. Elementary Slender Soft Robots Inspired by Skeleton Joint System of Animals. Soft Robotics 2019, 6 (3), 377–388. https://doi.org/10.1089/soro.2018.0097.
(21)
Song, J.; Zhu, L.; Shi, X.; Liu, Y.; Xiao, H.; Chen, X. Moisture Swing Ion-Exchange Resin-PO4 Sorbent for Reversible CO2 Capture from Ambient Air. Energy Fuels 2019, 33 (7), 6562–6567. https://doi.org/10.1021/acs.energyfuels.9b00863.
(22)
Miyamoto, K.; Ikeshima, D.; Furutani, T.; Xiao, H.; Yonezu, A.; Chen, X. On the Surface Hydrophilization of a Blended Polysulfone Membrane: Atomic Force Microscopy Measurement and Molecular Dynamics Simulation. Surf. Topogr.: Metrol. Prop. 2019, 7 (3), 035003. https://doi.org/10.1088/2051-672X/ab2e4f.
(23)
Liao, X.; Zhang, B.; Furutani, T.; Chen, Y.; Xiao, H.; Ni, Y.; Yonezu, A.; Chen, X. Strain-Guided Oxidative Nanoperforation on Graphene. Small 2019, 15 (40), 1903213. https://doi.org/10.1002/smll.201903213.
(24)
Liao, X.; Deng, X.; Zhu, L.; Shi, X.; Xiao, H.; Chen, X. Mechanical Modeling of Pimple Growth. Journal of the Mechanical Behavior of Biomedical Materials 2019, 95, 191–195. https://doi.org/10.1016/j.jmbbm.2019.04.017.
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Chen, Y.; Wang, X.; Liu, Y.; Xiao, H.; Chen, X. Effect of Local Terrace on Structure and Mechanics of Graphene Grain Boundary. J. Phys. Chem. C 2019, 123 (46), 28460–28468. https://doi.org/10.1021/acs.jpcc.9b08674.
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Chen, Y.; Liao, X.; Shi, X.; Xiao, H.; Liu, Y.; Chen, X. Three-Dimensional Auxetic Properties in Group V–VI Binary Monolayer Crystals X 3 M 2 (X = S, Se; M = N, P, As). Physical Chemistry Chemical Physics 2019, 21 (11), 5916–5924. https://doi.org/10.1039/C8CP05260C.
(27)
Zhu, L.; Cui, Q.; Liu, Y.; Yan, Y.; Xiao, H.; Chen, X. Molecular Dynamics-Decorated Finite Element Method (MDeFEM): Application to the Gating Mechanism of Mechanosensitive Channels. In Handbook of Nonlocal Continuum Mechanics for Materials and Structures; Springer, Cham, 2018; pp 1–52. https://doi.org/10.1007/978-3-319-22977-5_46-1.
(28)
Xiao, H.; Shi, X.; Zhang, Y.; Li, M.; Liao, X.; Chen, X. Predicting a Two-Dimensional P2S3 Monolayer: A Global Minimum Structure. Computational Materials Science 2018, 155, 288–292. https://doi.org/10.1016/j.commatsci.2018.08.061.
(29)
Xiao, H.; Shi, X.; Liao, X.; Zhang, Y.; Chen, X. Prediction of a Two-Dimensional S3N2 Solid for Optoelectronic Applications. Phys. Rev. Materials 2018, 2 (2), 024002. https://doi.org/10.1103/PhysRevMaterials.2.024002.
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Song, J.; Liu, J.; Zhao, W.; Chen, Y.; Xiao, H.; Shi, X.; Liu, Y.; Chen, X. Quaternized Chitosan/PVA Aerogels for Reversible CO2 Capture from Ambient Air. Ind. Eng. Chem. Res. 2018, 57 (14), 4941–4948. https://doi.org/10.1021/acs.iecr.8b00064.
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Shi, X.; Xiao, H.; Liao, X.; Armstrong, M.; Chen, X.; Lackner, K. S. Humidity Effect on Ion Behaviors of Moisture-Driven CO2 Sorbents. The Journal of Chemical Physics 2018, 149 (16), 164708. https://doi.org/10.1063/1.5027105.
(32)
Liao, X.; Xiao, H.; Lu, X.; Chen, Y.; Shi, X.; Chen, X. Closed-Edged Bilayer Phosphorene Nanoribbons Producing from Collapsing Armchair Phosphorene Nanotubes. Nanotechnology 2018, 29 (8), 085707. https://doi.org/10.1088/1361-6528/aaa52d.
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Liao, X.; Nagakura, T.; Chen, Y.; Zhu, L.; Shi, X.; Yonezu, A.; Chen, X.; Xiao, H. Tunable Surface Morphology via Patterned Cavities in Soft Materials. Physical Review E 2018, 98 (6), 063004.
(34)
Liao, X.; Chen, Y.; Nagakura, T.; Zhu, L.; Li, M.; Shi, X.; Yonezu, A.; Xiao, H.; Chen, X. Unconventional Localization Prior to Wrinkles and Controllable Surface Patterns of Film/Substrate Bilayers through Patterned Cavities. Extreme Mechanics Letters 2018, 25, 66–70. https://doi.org/10.1016/j.eml.2018.10.009.
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Li, H.; Zhang, Y.; Wan, J.; Xiao, H.; Chen, X. Theoretical Investigation on the Oxidation Mechanism of Dibutyl Phthalate by Hydroxyl and Sulfate Radicals in the Gas and Aqueous Phase. Chemical Engineering Journal 2018, 339, 381–392. https://doi.org/10.1016/j.cej.2017.12.153.
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Ju, D.; Zheng, X.; Liu, J.; Chen, Y.; Zhang, J.; Cao, B.; Xiao, H.; Mohammed, O. F.; Bakr, O. M.; Tao, X. Reversible Band Gap Narrowing of Sn-Based Hybrid Perovskite Single Crystal with Excellent Phase Stability. Angewandte Chemie International Edition 2018, 57 (45), 14868–14872.
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Ju, D.; Jiang, X.; Xiao, H.; Chen, X.; Hu, X.; Tao, X. Narrow Band Gap and High Mobility of Lead-Free Perovskite Single Crystal Sn-Doped MA 3 Sb 2 I 9. Journal of Materials Chemistry A 2018, 6 (42), 20753–20759.
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Hao, F.; Liao, X.; Li, M.; Xiao, H.; Chen, X. Oxidation-Induced Negative Poisson’s Ratio of Phosphorene. J. Phys.: Condens. Matter 2018, 30 (31), 315302. https://doi.org/10.1088/1361-648X/aacfd1.
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Fang, Z.; Chen, B.; Lin, S.; Ye, W.; Xiao, H.; Chen, X. Investigation of Inner Mechanism of Anisotropic Mechanical Property of Antler Bone. Journal of the Mechanical Behavior of Biomedical Materials 2018, 88, 1–10. https://doi.org/10.1016/j.jmbbm.2018.07.043.
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Chen, Y.; Xiao, H.; Liu, Y.; Chen, X. Effects of Temperature and Strain Rate on Mechanical Behaviors of Stone–Wales Defective Monolayer Black Phosphorene. J. Phys. Chem. C 2018, 122 (11), 6368–6378. https://doi.org/10.1021/acs.jpcc.7b11494.
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Chen, Y.; Shi, X.; Li, M.; Liu, Y.; Xiao, H.; Chen, X. Strain and Defect Engineering on Phase Transition of Monolayer Black Phosphorene. Phys. Chem. Chem. Phys. 2018, 20 (34), 21832–21843. https://doi.org/10.1039/C8CP01334A.
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Zhang, Y.; Liu, C.; Hao, F.; Xiao, H.; Zhang, S.; Chen, X. CO2 Adsorption and Separation from Natural Gas on Phosphorene Surface: Combining DFT and GCMC Calculations. Applied Surface Science 2017, 397, 206–212. https://doi.org/10.1016/j.apsusc.2016.11.117.
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Xiao, H.; Shi, X.; Zhang, Y.; Liao, X.; Hao, F.; Lackner, K. S.; Chen, X. The Catalytic Effect of H 2 O on the Hydrolysis of CO 3 2- in Hydrated Clusters and Its Implication in the Humidity Driven CO 2 Air Capture. Physical Chemistry Chemical Physics 2017, 19 (40), 27435–27441.
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Xiao, H.; Shi, X.; Hao, F.; Liao, X.; Zhang, Y.; Chen, X. Development of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene. J. Phys. Chem. A 2017, 121 (32), 6135–6149. https://doi.org/10.1021/acs.jpca.7b05257.
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Xiao, H.; Shi, X.; Chen, X. Self-Assembled Nanocapsules in Water: A Molecular Mechanistic Study. Phys. Chem. Chem. Phys. 2017, 19 (31), 20377–20382. https://doi.org/10.1039/C7CP02631E.
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Zhang, Y.; Hao, F.; Xiao, H.; Liu, C.; Shi, X.; Chen, X. Hydrogen Separation by Porous Phosphorene: A Periodical DFT Study. International Journal of Hydrogen Energy 2016, 41 (48), 23067–23074. https://doi.org/10.1016/j.ijhydene.2016.10.108.
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Shi, X.; Xiao, H.; Lackner, K. S.; Chen, X. Capture CO2 from Ambient Air Using Nanoconfined Ion Hydration. Angew. Chem. 2016, 128 (12), 4094–4097. https://doi.org/10.1002/ange.201507846.
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Shi, X.; Xiao, H.; Chen, X.; Lackner, K. S. The Effect of Moisture on the Hydrolysis of Basic Salts. Chemistry - A European Journal 2016, 22 (51), 18326–18330. https://doi.org/10.1002/chem.201603701.
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Liao, X.; Hao, F.; Xiao, H.; Chen, X. Effects of Intrinsic Strain on the Structural Stability and Mechanical Properties of Phosphorene Nanotubes. Nanotechnology 2016, 27 (21), 215701. https://doi.org/10.1088/0957-4484/27/21/215701.
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Hao, F.; Liao, X.; Xiao, H.; Chen, X. Thermal Conductivity of Armchair Black Phosphorus Nanotubes: A Molecular Dynamics Study. Nanotechnology 2016, 27 (15), 155703. https://doi.org/10.1088/0957-4484/27/15/155703.
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Xiao, H.; Chen, X. A Mechanical Model of Overnight Hair Curling. Eur. Phys. J. E 2015, 38 (9), 1–8. https://doi.org/10.1140/epje/i2015-15095-2.
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Liu, J.; Li, P.; Xiao, H.; Zhang, Y.; Shi, X.; Lü, X.; Chen, X. Understanding Flocculation Mechanism of Graphene Oxide for Organic Dyes from Water: Experimental and Molecular Dynamics Simulation. AIP Advances 2015, 5 (11), 117151. https://doi.org/10.1063/1.4936846.
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Xiao, H.; Chen, X. Modeling and Simulation of Curled Dry Leaves. Soft Matter 2011, 7 (22), 10794–10802. https://doi.org/10.1039/C1SM05998J.