PUBLICATIONS (* corresponding author, # co-first author)
(1) X. Yang; X. L. Wu; S. H. Li; H. Li; T. Qiu; Y. M. Yang; P. K. Chu; G. G. Siu, Origin of the 370-nm luminescence in Si oxide nanostructures, Appl. Phys. Lett., 2005, 86, 201906.
(2) H. Li, J. Ma, D. G. Evans, T. Zhou, F. Li, X. Duan, Molecular Dynamics Modeling of the Structures and Binding Energies of α-Nickel Hydroxides and Nickel-Aluminum Layered Double Hydroxides Containing Various Interlayer Guest Anions, Chem. Mater., 2006, 18, 4405.
(3) Y. S. Ma, H. Li, J. J. Wang, S. S. Bao, R. Cao, Y. Z. Li, J. Ma, L. M. Zheng, Three-Dimensional Lanthanide(III)-Copper(II) Compounds Based on an Unsymmetrical 2-Pyridylphosphonate Ligand: An Experimental and Theoretical Study, Chem. Eur. J., 2007, 13, 4759.
(4) H. Li, W. Li, S. Li, J. Ma, Fragmentation-based QM/MM Simulations: Length Dependence of Chain Dynamics and Hydrogen Bonding of Polyethylene Oxide and Polyethylene in Aqueous Solutions, J. Phys. Chem. B, 2008, 112, 7061.
(5) H. Yan; M, Wei; J. Ma; H. Li; X. Duan, The Criterion for the Construction of Layers in Layered Double Hydroxides: Theoretical Study Based on the Metal-Oxygen Octahedral Coordination Units, J. Mol. Struct.( Theochem), 2008, 866, 34.
(6) D. Yan, M. Wei, J. Lu, J. Lan, D. G. Evans, X. Duan, H. Li, J. Ma, In situ Polymerization of 4-vinyl-benzenesulfonic Anion in Ni-Al-Layered Double Hydroxide and its Molecular Dynamic Simulation, J. Phys. Chem. A, 2008, 112, 7671.
(7) W. Chen, H. Li, H. Huang, Y. Fu, J. Ma, A. T. S. Wee, 2D Pentacene: PTCDA supramolecular chiral networks on Ag(111), J. Am. Chem. Soc., 2008, 130, 12285.
(8) L. Chen, H. Li, A. T. S. Wee, One-Dimensional Molecular Chains with Dispersive Electronic States, Nano Lett., 2009, 9, 4292.
(9) L. Chen, Hui Li, A. T. S. Wee, Nonlocal Chemical Reactivity at Organic-Metal Interfaces, ACS Nano, 2009, 3, 3684.
(10) C. Yu, Z. Chen , H. Li, J. Turner, X. C. Zeng, Z. Jin, J. Jiang, B. Youssef, L. Tan, Molecularly Intercalated Nanoflakes: A Supramolecular Composite for Strong Energy Absorption, Adv. Mater., 2010, 22, 4457.
(11) Y.L. Huang, W. Chen, H. Li, J. Ma, J. Pflaum, A.T.S. Wee, Tunable Two-Dimensional Binary Molecular Networks, Small, 2010, 6, 70.
(12) Y.L. Huang, H. Li, J. Ma, H. Huang, W. Chen, A.T.S. Wee, Scanning Tunneling Microscopy Investigation of Self-Assembled CuPc/F16CuPc Binary Superstructures on Graphite, Langmuir, 2010, 26, 3329.
(13) K.H.L. Zhang, H. Li, H. Mao, H. Huang, J. Ma, A.T.S. Wee, W. Chen, Control of Two-Dimensional Ordering of F16CuPc on Bi/Ag(111): Effect of Interfacial Interactions, J. Phys. Chem. C, 2010, 114, 11234.
(14) L. Chen, H. Li, A.T.S. Wee, Delocalized State between Molecules through a Surface Confined Pseudo-dihydrogen Bond, Phys. Rev. Lett., 2010, 105, 226103.
(15) H. Li, N. Shao, B. Shang, L.-F. Yuan, J. Yang, X. C. Zeng, Icosahedral B12-containing core-shell structures of B80, Chem. Commun., 2010, 46, 3878.
(16) H. Li, Y. Pei, X.C. Zeng, Two-dimensional to three-dimensional structural transition of gold cluster Au-10 during soft landing on TiO2 surface and its effect on CO oxidation, J. Chem. Phys., 2010, 133, 134707.
(17) A. Dhôtel, H. Li, L. Fernandez-Ballester, L. Delbreilh, B. Youssef, X.C. Zeng, L. Tan, Supramolecular Nanolayer Reconfiguration after Molecular Intercalation, J. Phys. Chem. B, 2011, 115, 10351.
(18) Y. Pei, N. Shao, H. Li, Deen Jiang, and X. C. Zeng, Hollow Polyhedral Structures in Small Gold-Sulfide Clusters, ACS Nano, 2011, 5, 1441.
(19) H. X. Zhao#, X. J. Kong#, H. Li#, Y. C. Jin, L. Long, X. C. Zeng, R. B. Huang, L. S. Zheng, Transition from one-dimensional water to ferroelectric ice within a supramolecular architecture, Proc. Natl. Acad. Sci. USA, 2011, 108, 3481.
(20) Z. G. Chen, Z. P. Xu, M. Zhang, Y. Zhou, M. Z. Liu, T, Patten, G. Y. Liu, H. Li, X. C. Zeng, L. Tan, Two-Dimensional Crystallization of Hexagonal Bilayer with Moiré Patterns, J. Phys. Chem. B, 2012, 116, 4363.
(21) L. Wang, B. Liu, H. Li, W. Yang, Y. Ding, S. V. Sinogeikin, Y. Meng, Z. Liu, X. C. Zeng, W. L. Mao, Long-Range Ordered Carbon Clusters: A Crystalline Material with Amorphous Building Blocks, Science, 2012, 337, 825.
(22) X. Zhou, G. Liu, K. Yamato, Y. Shen, R. Cheng, X. Wei, W. Bai, Y. Gao, H. Li, Y. Liu, F. Liu, D. M. Czajkowsky, J. Wang, M. J. Dabney, Z. Cai, J. Hu, F. V. Bright, L. He, X. C. Zeng, Z. Shao, B. Gong, Self-assembling subnanometer pores with unusual mass-transport properties, Nat. Commun., 2012, 3, 949.
(23) H. Li, X. C. Zeng, Two Dimensional Epitaxial Water Adlayer on Mica with Graphene Coating: An ab Initio Molecular Dynamics Study, J. Chem. Theory Comput., 2012, 8, 3034.
(24) H. Li, X. C. Zeng, Wetting and Interfacial Properties of Water Nanodroplets in Contact with Graphene and Monolayer Boron-Nitride Sheets, ACS Nano, 2012, 6, 2401.
(25) M. Wu, Y. Pei, J. Dai, H. Li, X.C. Zeng, Tr-Wing Graphene Nano-Paddle-Wheel with a Single-File Metal Joint: Formation of Multi-Planar Tetracoordinated-Carbon (ptC) Strips, J. Phys. Chem. C, 2012, 116, 11378.
(26) F. Zhang, F. Shi, W. Ma, F. Gao, Y. Jiao, H. Li, J. Wang, X. Shan, X. Lu, S. Meng, Controlling Adsorption Structure of Eosin Y Dye on Nanocrystalline TiO2 Films for Improved Photovoltaic Performances, J. Phys. Chem. C, 2013, 117, 14659.
(27) C. Liu, Y. Tan, S. Lin, H. Li, X.J. Wu, L. Li, Y. Pei, and X. C. Zeng, CO Self-Promoting Oxidation on Nanosized Gold Clusters: Triangular Au3 Active Site and CO Induced O-O Scission, J. Am. Chem. Soc., 2013, 135, 2583.
(28) L. Li, Y. Gao, H. Li, Y. Zhao, Y. Pei, Z. F. Cheng, X. C. Zeng, CO Oxidation on TiO2 (110) Supported Subnanometer Gold Clusters: Size and Shape Effects, J. Am. Chem. Soc., 2013, 135, 19336.
(29) B. J. Feng, H. Li, C.-C. Liu, T. N. Shao, P. Cheng, Y. G. Yao, S. Meng, L. Chen, K. H. Wu, Observation of Dirac Cone Warping and Chirality Effects in Silicene, ACS Nano, 2013, 7, 9049.
(30) L. Chen, H. Li, B. J. Feng, Z. J. Ding, J. L. Qiu, P. Cheng, K. H. Wu, S. Meng, Spontaneous Symmetry Breaking and Dynamic Phase Transition in Monolayer Silicene, Phys. Rev. Lett., 2013, 110, 085504.
(31) Y. Zhao, H. Li, and X. C. Zeng, First-principles molecular dynamics simulation of atmospherically relevant anion solvation in supercooled water droplet, J. Am. Chem. Soc., 2013, 135, 15549.
(32) C. Zhu, H. Li, X. C. Zeng, E. G. Wang, and S. Meng, Quantized Water Transport: Ideal Desalination through Graphyne-4 Membrane, Sci. Rep., 2013, 3, 3163.
(33) C. Zhu, H. Li, Y. Huang, X. C. Zeng, and M. Sheng, Microscopic Insight into Surface Wetting: Relations between Interfacial Water S tructure and the Underlying Lattice Constant, Phys. Rev. Lett., 2013, 110, 126101.
(34) S. Chen, H. Li, P. Cao, and X. C. Zeng, Understanding Liquid-Solid-Like Behavior of Tetrahydrofuran Adlayers at Room Temperature between Graphene and Mica: A Born-Oppenheimer Molecular Dynamics Study, J. Phys. Chem. C, 2013, 117, 21894.
(35) Z. Chen, G. Wang, Z. Xu, H. Li, A. Dhotel, X. C. Zeng, B. Chen, J.-M. Saiter, and L. Tan, Metal-Organic Frameworks Capable of Healing at Low Temperatures, Adv. Mater., 2013, 25, 6106.
(36) F. Zhang, W. Ma, Y. Jiao, J.C. Wang, X.Y. Shan, H. Li, X.H. Lu, S. Meng, Precise Identification and Manipulation of Adsorption Geometry of Donor-π-Acceptor Dye on Nanocrystalline TiO2 Films for Improved Photovoltaics, ACS Appl. Mater. Inter., 2014, 6, 22359.
(37) Y. Zhao, N. S. Khetrapal, H. Li, Y. Gao, X. C. Zeng, Interaction between O2 and neutral/charged Aun (n = 1–3) clusters: A comparative study between density-functional theory and coupled cluster calculations, Chem. Phys. Lett., 2014, 592, 127.
(38) W. Wan, H. Li, H. Huang, S. L. Wong, L. Lv, Y. L. Gao, A. Wee, Incorporating isolated molybdenum (Mo) atoms into Bilayer Epitaxial Graphene on 4H-SiC(0001), ACS Nano, 2014, 8, 970.
(39) H. Fu, J. Zhang, Z. Jing, H. Li*, S. Meng*, Stacking-dependent electronic structure of bilayer silicene, Appl. Phys. Lett., 2014, 104, 131904.
(40) Y. H. Yu, L. M. She, H. X. Fu, M. Huang, H. Li*, S. Meng, G. Y. Cao, Kondo Effect Mediated Topological Protection: Co on Sb(111). ACS Nano, 2014, 8, 11576.
(41) L. Pan, G. Liu, H. Li, S. Meng, L. Han, J. Jie, B. Chen, A. Platero-Prats, W. Lu, X.D. Zou, R. W. Li, A Resistance-Switchable and Ferroelectric Metal-Organic Framework, J. Am. Chem. Soc., 2014, 136, 17477.
(42) C. Q. Zhu, Hui Li, and S. Meng, Transport behavior of water molecules through two-dimensional nanopores, J. Chem. Phys., 2014, 141, 18C502.
(43) H. Li#, L. Li#, A. Pedersen, Y Gao, H. Jónsson, X. C. Zeng, Magic-Number Gold Nanoclusters with diameter 1 to 3.5 nm: Relative Stability and Catalytic Activity for CO Oxidation, Nano Lett., 2015, 15, 682.
(44) L. Li, H. Li, X. C. Zeng, Structure transition of Au18 from pyramidal to a hollow-cage during soft-landing onto a TiO2(110) surface, Chem. Commun., 2015, 51, 9535.
(45) J. L. Qiu, H. X. Fu, Y. Xu, A. I. Oreshkin, T. N. Shao, H. Li, S. Meng, L. Chen, K. H. Wu, Ordered and Reversible Hydrogenation of Silicene. Phys. Rev. Lett., 2015, 114, 126101.
(46) X. He, H. Li*, L. Chen*, K. Wu, Substitution-induced spin-splitted surface states in topological insulator (Bi1-xSbx)2Te3, Sci. Rep., 2015, 5, 8830.
(47) H. Li*, H. Fu, S. Meng, Silicene: from monolayer to multilayer, Chin. Phys. B, 2015, 24, 086102.
(48) H. Fu, L. Chen, J. Chen, J. Qiu, Z. Ding, J. Zhang, K. Wu, H. Li*, Sheng Meng*, Multilayer Silicene: The Bottom-Up Approach for a Weakly Relaxed Si(111) with Dirac Surface States, Nanoscale, 2015, 7, 15880.
(49) H. Li, J. Francisco, X. C. Zeng, Unravelling the mechanism of selective ion transport in hydrophobic subnanometer channels, Proc. Natl. Acad. Sci. USA, 2015, 112, 10851.
(50) J. Zhang, J. Ren*, H.X. Fu, Z.J. Ding, H. Li*, S. Meng*, Two-dimensional silicon-carbon hybrids with a honeycomb lattice: New family for two-dimensional photovoltaic materials, Sci. China-Phys. Mech. Astron., 2015, 58, 106801.
(51) J. Zhong, Y. Zhao, L. Li, H. Li, J. S. Francisco, X. C. Zeng, Interaction of the NH2 Radical with the Surface of a Water Droplet, J. Am. Chem. Soc., 2015, 137, 12070.
(52) J. Qiu, H Fu, Y. Xu, Q. Zhou, S. Meng, H. Li, L. Chen, K. Wu, From Silicene to Half-Silicane by Hydrogenation, ACS Nano, 2015, 9, 11192.
(53) W. Zhong, Y. Huang, D. Gan, J. Xu, H. Li, G. Wang, S. Meng, X. Chen, Wetting behavior of water on silicon carbide polar surfaces, Phys. Chem. Chem. Phys., 2016, 18, 28033.
(54) H. Li*, JY. Xu, S, Meng*, Surface water at nanoscale: insights from multiscale molecular dynamics simulations, Scientla Sinica Phys., Mech. & Astron. 2016, 46, 057006 (Chinese version).
(55) B.J. Feng, H. Li, S. Meng, L. Chen, K.H. Wu, Structure and quantum well states in silicene nanoribbons on Ag(110), Surf. Sci. 2016, 645, 74.
(56) Y.F. Huang, Y. Hu, C.Q. Zhu, F. Zhang, H. Li, X.H. Lu, S. Meng, Long-Lived Multifunctional Superhydrophobic Heterostructure Via Molecular Self-Supply, Adv. Mater. Inter. 2016, 3, 1500727.
(57) B.J. Feng, J. Zhang, Q. Zhong, W.B. Li, S. Li, H. Li*, P. Cheng, S. Meng, L. Chen*, K. Wu*, Experimental realization of two-dimensional boron sheets, Nature Chemistry, 2016, 8, 563.
(58) B.J. Feng, J. Zhang, R.Y. Liu, T. Iimori, C. Lian, H. Li, L. Chen, K.H. Wu, S. Meng F. Komori, I. Matsuda,. Direct evidence of metallic bands in a monolayer boron sheet. Phys. Rev. B, 2016, 94, 041408.
(59) H.X. Fu, Z. Liu, C. Lian, J. Zhang, H. Li, J.T. Sun, S. Meng. Magnetic Dirac fermions and Chern insulator supported on pristine silicon surface. Phys. Rev. B , 2016, 94, 035427.
(60) J. Gou, Q. Zhong, S.X. Sheng, W.B. Li, P. Cheng, H. Li*, L. Chen*, K.H. Wu*. Strained Monolayer Germanene with 1×1 Lattice on Sb(111). 2D Materials, 2016, 3, 045005.
(61) H. Fu, J. Ren, L. Chen, C. Si, J. Qiu, W. Li, J. Zhang, J. Sun, H. Li, K. Wu, W. Duan, S. Meng. Prediction of silicon-based room temperature quantum spin Hall insulator via orbital mixing. EPL (Europhysics Letters), 2016, 113, 67003.
(62) C Zhu#, Y Gao#, H Li#, S Meng, L. Li, J.S. Francisco, XC Zeng. Characterizing hydrophobicity of amino acid side chains in a protein environment via measuring contact angle of a water nanodroplet on planar peptide network. Proc. Natl. Acad. Sci. USA, 2016, 113, 12946.
(63) 黄永峰， 严蕾， 李晖， 孟胜。 原子尺度上水与物质的相互作用。 物理， 2016， 45， 707。
(64) T. Ma#, H. Li#, X. Zheng, S.M. Wang, X.C. Wang, H.Z. Zhao, S.B. Han, J. Liu, R.F. Zhang*, P.W. Zhu*, Y.W. Long, J.G. Cheng, Y.M Ma, Y.S. Zhao, C.Q. Jin, X.H. Yu*. Ultrastrong Boron Frameworks in ZrB12: A Highway for Electron Conducting. Adv. Mater. 2017, 29, 1604003.
(65) Y. Yu, H. Fu, L She, S. Lu, Q. Guo, H. Li*, S. Meng, G. Cao*. Fe on Sb(111): Potential Two-Dimensional Ferromagnetic Superstructures. ACS Nano, 2017, 11, 2143.
(66) B. Feng, O. Sugino, R.Y. Liu, J. Zhang, R. Yukawa, M. Kawamura, T. Iimori, H. Kim, Y. Hasegawa, H. Li, L. Chen, K. Wu, H. Kumigashira, F. Komori, T.C. Chiang, S. Meng, I. Matsud. Dirac Fermions in Borophene. Phy. Rev. Lett., 2017, 118, 096401.
(67) P. Zhao, Y. Huang, Y. Shen, S. Yang, L. Chen, K. Wu*, H. Li*, S. Meng*. A Modified Wenzel Model for Water Wetting on Van der Waals Layered Materials with Topographic Surfaces. Nanoscale, 2017, 9, 3843.
(68) Q. Zhong, J. Zhang, P. Cheng, B. Feng, W. Li, S. Sheng, H. Li, S. Meng, L. Chen, K. Wu, Metastable phases of 2D boron sheets on Ag(111). J. Phys.: Condens. Matter. 2017, 29, 095002.
(69) 孔龙娟、李晖*。衬底调制下的硼墨烯、硅烯、锗烯等单元素二维材料的原子与电子结构。化学进展，2017, 29, 337.
(70) Q. Zhong, L. Kong, J. Gou, W. Li, S. Sheng, S. Yang, P. Cheng, H. Li*, K. Wu*, L. Chen*. Synthesis of Borophene Nanoribbons on Ag (110) Surface. Phys. Rev. Materials 2017, 1, 021001(R).
(71) C. Zhu, Y. Gao, Y. Huang, H. Li, S. Meng, J. Francisco, X.C. Zeng. Controlling states of water droplets on nanostructured surfaces by design. Nanoscale, 2017, 9, 18240.
(72) Gou, Jian, Kong, Longjuan, H. Li, Zhong, Qing, Li, Wenbin, Cheng, Peng, Chen, Lan, K.H. Wu. Strain-induced band engineering in monolayer stanene on Sb(111). Phys. Rev. Materials 2017, 1, 054004.
(73) J. Zhang, H. Li*, Understanding wetting at nano scale: Atomistic simulation investigations. Chinese Science Bulletin, 2018, 63, 3585.
(74) H. Wang, Z.P. Hu, H. Li*, Dissociation of Liquid Water on Defective Rutile TiO2(110) Surfaces Using Ab-Initio Molecular Dynamics Simulations. Front. Phys. 2018, 13, 138107.
(75) W. Li, L. Kong, B. Feng, H. Fu, H. Li*, X. C. Zeng, K. Wu, L. Chen. Abnormal phase transition between two-dimensional high-density liquid crystal and low-density crystalline solid phases. Nature Commun. 2018, 9, 198.
(76) W. Li, L. Kong. C. Chen. J. Gou, S. Sheng, W. Zhang, H. Li, L. Chen, P. Cheng, K. Wu. Experimental realization of honeycomb borophene. Science Bulletin, 2018, 63, 282.
(77) L. Li, Z. Duan, H. Li, C. Zhu, G. Henkelman, J. S. Francisco, X. C. Zeng. Formation of HONO from the NH3-promoted hydrolysis of NO2 dimers in the atmosphere. Proc. Natl. Acad. Sci., 2018, 115, 7236.
(78) J. Gou, B. Xia, H. Li, X. Wang, L. Kong, P. Cheng, H. Li, W. Zhang, T. Qian, H. Ding, Y. Xu, W. Duan, K. Wu, L. Chen, Binary Two-Dimensional Honeycomb Lattice with Strong Spin-Orbit Coupling and Electron-Hole Asymmetry. Phys. Rev. Lett. 2018, 121, 126801.
(79) X. Zheng, H. Wang, X. Yu, J. Feng, X. Shen, S. Zhang, R. Yang, X. Zhou, Y. Xu, R. Yu, H. Xiang, Z. Hu, C. Jin, R. Zhang, S. Wei, J. Han, Y. Zhao, H. Li*, S. Wang*, Magnetic origin of phase stability in cubic γ-MoN. Appl. Phys. Lett. 2018, 113, 221901.
(80) J. Gou, L. Kong, W. Li, S. Sheng, H. Li, S. Meng, P. Cheng, K. Wu, L. Chen, Scanning tunneling microscopy investigations of unoccupied surface states in two-dimensional semiconducting beta-R3X3-Bi/Si(111) surface, Phys. Chem. Chem. Phys., 2018, 20, 20188.
(81) L Kong, L Liu, L Chen, Q Zhong, P Cheng, H Li, Z Zhang, K Wu, One-dimensional nearly free electron states in borophene. Nanoscale, 2019, 11, 15605.
(82) Y. Liu, Y. Huang, C. Zhu, H. Li, J. Zhao, L. Wang, L. Ojamäe, J. Francisco, X.C. Zeng, An ultralow-density porous ice with the largest internal cavity identified in the water phase diagram. Proc. Natl. Acad. Sci., 2019, 116, 12684.
(83) Z. Xu, H. Li, S. Hu, J. Zhuang, Y. Du, W. Hao, High Pressure Driven Isostructural Electronic Phase Separation in 2D BiOI. Phys. Status Solidi RRL 2019, 1800650.
(84) J. Xu#, C. Zhu#, Y. Wang#, H. Li#, Y. Huang, Y. Shen, J. S Francisco, X. C. Zeng, S. Meng, Water transport through subnanopores in the ultimate size limit: Mechanism from molecular dynamics. Nano Res. 2019, 12, 587.
(85) Z. Zhao, K. Kong, S. Wang, Y. Zhou, D. Cheng, W. Wang, X. C. Zeng, H. Li*, Understanding Hygroscopic Nucleation of Sulfate Aerosols: Combination of Molecular Dynamics Simulation with Classical Nucleation Theory. J. Phys. Chem. Lett. 2019, 10, 1126.
(86) J. Yang, L. Li, S. Wang, H. Li, J.S. Francisco, X.C. Zeng, Y. Gao, Unraveling a New Chemical Mechanism of Missing Sulfate Formation in Aerosol Haze: Gaseous NO2 with Aqueous HSO3–/SO32–. J. Am. Chem. Soc., 2019, 141, 19312.
(87) X.H. Yu, Y. Liu, S.Y. Du, X. Zheng, J.L. Zhu*, H.W. Xu, J.Z. Zhang, S.Y. Du, X. Zeng, J. Francisco, C. Jin, Y. Zhao*, H. Li*, CH4 Gas Extraction by CO2: Substitution in Clathrate Hydrate through Bimolecular Iteration. Chin. Phys. Lett., 2020, 37, 4.
(88) N. Si, Q. Yao, Y. Jiang, H. Li, D Zhou, Q. Ji, H. Huang, H. Li*, T. Niu*, Recent Advances in Tin: From Two-Dimensional Quantum Spin Hall Insulator to Bulk Dirac Semimetal. J. Phys. Chem. Lett. 2020, 11, 1317.
(89) D. Zhou, H. Li, N. Si, Y. Jiang, H. Huang, H. Li*, T. Niu*, Epitaxial growth of single tellurium atomic wires on a Cu2Sb surface alloy. Appl. Phys. Lett., 2020, 116, 061602.
(90) S. Wang, XC. Zeng*, H. Li*, J.S. Francisco*, A Possible Unaccounted Source of Atmospheric Sulfate Formation: Amine-Promoted Hydrolysis and Nonradical Oxidation of Sulfur Dioxide. Chem. Sci., 2020, 11, 2093.
(91) W. Zhang, J. Liu, X. Jin, X. Gu*, X. Zeng, X. He*, H. Li*, Quantitative Prediction of Aggregation Induced Emission: A Full Quantum Mechanical Approach to the Optical Spectra. Angew. Chem. Int. Ed., 2020, 59, 11550.
(92) Z Cui, X Feng, H Li*, T Tan*, Interconversion of Lewis Acid and Brønsted Acid Catalysts in Biomass-Derived Paraxylene Synthesis, Chem. Engi. Sci., 2020, 227, 115942.
(93) S. Jin, Y. Liu, M. Deiseroth, J. Liu, E. Backus, H. Li, H. Xue, L. Zhao, X. C. Zeng, M. Bonn, J. Wang, Use of Ion Exchange to Regulate the Heterogeneous Ice Nucleation Efficiency of Mica. J. Am. Chem. Soc., 2020, 142, 17956.
(94) D. Zhou, H. Li, N. Si, H. Li*, H. Fuchs*, T. Niu*, Epitaxial Growth of Main Group Monoelemental 2D Materials. Adv. Funct. Mater. 2021, 31, 2006997.
(95) D. Zhou, H Li, S Bu, B. Xin, Y Jiang, N. Si, J. Sun, Q. Ji, H. Huang, H. Li*, T. Niu*, Phase Engineering of Epitaxial Stanene on a Surface Alloy. J. Phys. Chem. Lett. 2021, 12, 211-217.
(96) S. Wang, H. Li*, NO3·‑Initiated Gas-Phase Formation of Nitrated Phenolic Compounds in Polluted Atmosphere, Environ. Sci. Technol. 2021, 55, 2899-2907.
(97) L. Li, H. Ma, J. Zhang, E. Zhao, J. Hao, H. Huang, H. Li, P. Li, X. Gu*, B.Z. Tang, Emission-Tunable Soft Porous Organic Crystal Based on Squaraine for Single-Crystal Analysis of Guest-Induced Gate-Opening Transformation. J. Am. Chem. Soc. 2021, 143, 3856–3864.
(98) C. Yan, R. Yin, Y. Lu, L. Dada, D. Yang, Y. Fu, J. Kontkanen, C. Deng, O. Garmash, J. Ruan, R. Baalbaki, M. Schervish, R. Cai, M. Bloss, T, Chan, T. Chen, X. Chen, Y. Chen, B. Chu, K. Dällenbach, B. Foreback, X. He, L. Heikkinen, T. Jokinen, H. Junninen, J. Kangasluoma, T. Kokkonen, M. Kurppa, K. Lehtipalo, H. Li, H. Li, X. Li, Y. Liu, Q. Ma, P. Paasonen, P. Rantala, R. E. Pileci, A. Rusanen, N. Sarnela, P. Simonen, S. Wang, W. Wang, Y. Wang, M. Xue, G. Yang, L. Yao, Y. Zhou, J. Kujansuu, T. Petäjä, W. Nie, Y. Ma, M. Ge, H. He, N. M. Donahue, D. R. Worsnop, V.-M. Kerminen, L. Wang, Y. Liu*, J. Zheng*, M. Kulmala*, J. Jiang*, F. Bianchi*, The synergistic role of sulfuric acid, bases, and oxidized organics governing new-particle formation in Beijing. Geophys. Res. Lett., 2021, 48, e2020GL091944. https://doi.org/10.1029/2020GL091944.
(99) S. Du, X. Han, L Zheng, S. Qin, M. Arif, D. Yan, X. Yu*, H. Li*, Synthesis and Phase Behavior of Methane Hydrate in a Layered Double Hydroxide: An Experimental and Molecular Dynamics Simulation Study. J. Phys. Chem. C, 2021, 125, 7889–7897.
(100) Z. Chen, D. Yan, L. Ma, Y. Zhang, J. Zhang, H. Li, R. Khoo, J. Zhang, F. Svec, Y. Lv, T. Tan, Polymerizable metal-organic frameworks for the preparation of mixed matrix membranes. iScience, 2021, 24, 102560.
(101) H. Li, D. Zhou, Q. He, N. Si, B. Xin, S. Bu, Q. Ji, H. Li*, H. Fuchs*, T. Niu*, Experimental Realization and Phase Engineering of a Two-Dimensional SnSb Binary Honeycomb Lattice. ACS Nano 2021, 15, 16335−16343.
(102) H. Shi, Z. Wang, H. Ma, H. Jia, F. Wang, C. Zou, S. Hu*, H. Li*, Z. Tan*, High-efficiency red perovskite light-emitting diodes based on collaborative optimization of emission layer and transport layers. J. Mater. Chem. C, 2021, 9, 12367–12373.
(103) C. Wang, W. Zhang, Y. He, Z. Gao, L. Liu, S. Yu, Y. Hu, S. Wang , C. Zhao, H. Li, J. Shi, W. Zhou , F. Li, H. Yue, Y. Li* , W. Wei *, G. Ma*, D. Ma*, Ferritin-based targeted delivery of arsenic to diverse leukaemia types confers strong anti-leukaemia therapeutic effects. Nature Nano., 2021, 16, 1413–1423.
(104) X. Yu, Y. Meng, H. Zhang, J. Guo, S. Wang, H. Li, J. Hu*, M. H. Li*, Trans/cis-stereoisomers of triterpenoid-substituted tetraphenylethene: aggregation induced emission, aggregate morphology, and mechano-chromism. Nanoscale, 2021, 13, 15257–15266.
(105) J. Shi, W. Zhang, H. Li*, Y. Pu, D. Wang*, J. F. Chen, Can NOx reduction by CO react over carbon-based single-atom catalysts at low temperatures? A theoretical study. AIChE J. 2021, e17425.
(106) S. Sun, C. Xie, J. Chen, Y. Yang, H. Li*, T. P. Russell*, S. Shi*, Responsive Interfacial Assemblies Based on Charge-Transfer Interactions, Angew. Chem. Int. Ed., 2021, 60, 26363-26367.
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(108) X. Tan, H. Li, W. Zhang, K. Jiang, S. Zhai, W. Zhang, N. Chen, H. Li*, Z. Li*. Square-pyramidal Fe-N4 with defect-modulated O-coordination: Two-tier electronic structure fine-tuning for enhanced oxygen reduction, Chem Catal. 2022, 2, 1–20.
(109) Y. Meng, Z. Li, C. Xie, Y. Gao, X. Yu, H. Zhang, H. Li, J. Hu, Natural triterpenoid-tailored self-assembled chiral helical ribbons for regulating droplet bounce, Cell Rep. Phys. Sci. 2022, 3, 100810.
(110) W. Zhang, M. Dong, K. Jiang, D. Yang, X. Tan, S. Zhai, R. Feng, N. Chen, G. King, H. Zhang, H. Zeng, H. Li, M. Antonietti, Z. Li*, Self-repairing interphase reconstructed in each cycle for highly reversible aqueous zinc batteries, Nat. Comm., 2022, 13, 5348.
(111) P. Xue, M. Qu, J. Shi, Y. Jiang, N. He, T. Zhao, S. Luo, S. Zhou, J. Zhang, Y. Luo, G. Chu, H. Li*, J. Chen, S. Sun, H. Liao*, In Situ TEM Observation of Stagnant Liquid Layer Activation in Nanochannel, Nano Lett. 2022, 22, 6958−6963.
(112) L. Liu, S. Guo, Z. Zhao, H. Li*, Free Energy Prediction of Ion-Induced Nucleation of Aqueous Aerosols, J. Phys. Chem. A 2022, 126, 2407−2416.
(113) K. Hu, L. Luo, X. Sun, H. Li*, Unraveling the effects of gas species and surface wettability on the morphology of interfacial nanobubbles, Nanoscale Adv., 2022, 4, 2893.
(114) C. Xie, J. Shi, Y. Luo, G. Chu, H. Li*, Velocity-Dependent Contact Angle and Energy Dissipations of Dynamic Wetting Nanodroplets on Nanopillared Surfaces. Langmuir, 2022, 38, 9822–9832.
(115) Z. He, R. Yu, W. Song, Y. Gong, H. Li, Z. Tan, Bismuth Complex Controlled Morphology Evolution and CuSCN-Induced Transport Improvement Enable Efficient BiI3 Solar Cells. Nanomaterials 2022, 12, 3121.
(116) S. Du, Y. Qu, H. Li*, X. Yu*, Methane Adsorption Properties in Biomaterials: A Possible Route to Gas Storage and Transportation. Energies 2022, 15, 4261.
(117) L. Xia, Y. Zhang, F. Wang, F. Chu, Y. Yang*, H. Li*, Z. Tan*, A Low-Potential and Stable Bis-Dimethylamino-Substituted Anthraquinone for pH-Neutral Aqueous Redox Flow Batteries. Chem. Electro. Chem., 2022, 9, e202200224.
(118) B. Li, S. Wang, Z. Tian*, G. Yao, H. Li*, L. Chen*, Understanding the CO2/CH4/N2 Separation Performance of Nanoporous Amorphous N-Doped Carbon Combined Hybrid Monte Carlo with Machine Learning. Adv. Theory Simul. 2022, 5, 2100378.
(119) W. Zhu, Y. Li, S. Guo, W. Guo, T. Peng, H. Li, B. Liu, H. Peng*, B. Tang*, Stereoisomeric Engineering of Aggregation-Induced Emission Photosensitizers towards Fungal Killing. Nat. Comm., 2022, 13, 7046.
(120) S. Du, X. Han, W. Cai, J. Zhu, X. Ma, S. Han, D. Chen, Y. Zhao, H. Li*, H. Lu*, X. Yu*, Formation of the structure-II gas hydrate from low-concentration propane mixed with methane, Chin. J. Chem. Eng., 2022, https://doi.org/10.1016/j.cjche.2022.10.014
(121) L. Liu, H. Li*, Hygroscopicity of ultrafine particles containing ammonium/alkylaminium sulfates: A Köhler model investigation with correction of surface tension. Atmos. Environ. 2023, 294, 119500.
(122) Y. Yang, J. Qin, K. Hu, L. Luo*, A. Kumar, D. Zhou, Z. Zhuang, H. Li*, X. Sun*, Self-flooding behaviors on the fuel cell catalyst surface: an in situ mechanism investigation. Energy Environ. Sci., 2023, 16, 491–501.
(123) X. Guo, H. Li*, Photolysis of nitrophenols in gas phase and aqueous environment: a potential daytime source for atmospheric nitrous acid (HONO). Environ. Sci. Atmos. 2023, 3, 143–155.
(124) C. Xie, H. Li*, Multiscale simulations of nanofluidics: Recent progress and perspective. WIREs Comp. Mol. Sci. 2023, https://doi.org/10.1002/wcms.1661
(125) C. Zhang, Y. Qu, H. Li*, Unraveling the influence of the topological structure and protonation of zeolites on the adsorption of nitrogen-containing waste gas. Chem. Eng. Sci., 2023, 269, 118492.
(126) J. Yu, K. Hu, Z. Zhang, L. Luo*, Y. Liu, D. Zhou, F. Wang, Y. Kuang, H. Xu, H. Li*, H. Duan, X. Sun*, Interfacial Nanobubbles’ Growth at the Initial Stage of Electrocatalytic Hydrogen Evolution. Energy Environ. Sci., 2023, https://doi.org/10.1039/D2EE04143J.