Selected journal articles


  1. M.X. Guan†, X.B. Liu†, D.Q. Chen, X.Y. Li, Y.P. Qi, Q. Yang, P.W. You, S. Meng*. Optical control of multi-stage phase transition via phonon couplings in MoTe2. Phys. Rev. Lett. 128, 015702 (2022).
  2. W.M. Zhao†, L. Zhu†, Z.W. Nie†, Q.Y. Li, Q.W. Wang, L.G. Dou, J.G. Hu, L.D. Xian, S. Meng*, S.C. Li*. Moiré enhanced charge density wave state in twisted 1T-TiTe2/1T-TiSe2 heterostructures. Nature Materials , in press (2022).
  3. 2021

  4. M.X. Guan†, E. Wang†, P.W. You, J.T. Sun*, S. Meng*. Manipulating Weyl quasiparticles by orbital-selective photoexcitation in WTe2. Nature Commun. 12, 1885 (2021).
  5. J.Y. Xu, D.Q. Chen, S. Meng*. Probing Laser-Induced Plasma Generation in Liquid Water. J. Am. Chem. Soc. 143, 10382 (2021).
  6. L.N. Meng†, N. Xin†, J.Y. Wang†, J.Y. Xu, S.Z. Ren, Z. Yan, M. Zhang, C. Shen, G.Y. Zhang, X.F. Guo*, S. Meng*. Atomically Precise Engineering of Single-Molecule Stereoelectronic Effect. Angew. Chem. Int. Ed. 60, 12274 (2021).
  7. P.W. You, C. Lian, D.Q. Chen, J.Y. Xu, C. Zhang*, S. Meng*, E.G. Wang*. Nonadiabatic Dynamics of Photocatalytic Water Splitting on A Polymeric Semiconductor. Nano Letters 21, 6449 (2021).
  8. J.C. Zhang†, K.C. Jia†, Y.F. Huang†, X.T. Liu, Q.H. Xu, W.D. Wang, R. Zhang, B.Y. Liu, L.M. Zheng, H. Chen, P. Gao, S. Meng*, L. Lin*, H.L. Peng*, Z.F. Liu*. Intrinsic Wettability in Pristine Graphene. Advanced Materials 21, 3620 (2021).
  9. Z. Yu, S. Meng*, M. Liu*. Viable substrates for the honeycomb-borophene growth. Phys. Rev. Mater. 5, 104003 (2021).
  10. H. Liu, S. Meng*, F. Liu*. Non-Hermitian topological states in 2D line-graph lattices: evolving triple exceptional points on reciprocal line graphs. New. J. Phys. 23, 123038 (2021).
  11. H. Liu, S. Meng*, F. Liu*. Screening two-dimensional materials with topological flat bands. Phys. Rev. Mater. 5, 084203 (2021).
  12. Y.Y. Liu, Z.M. Wei, S. Meng*, R.S. Wang, X.W. Jiang*, R. Huang, S.S. Li, L.W. Wang*. Electronically induced defect creation at semiconductor/oxide interface revealed by time-dependent density functional theory. Phys. Rev. B 104, 115310 (2021).
  13. C.Y. Song†, X.Y. Li†, L.K. Shen, B.S. Cui, X. Xu, G.Q. Yu, M. Liu, S. Meng*, K.H. Wu*. Emergent perpendicular magnetic anisotropy at the interface of an oxide heterostructure. Phys. Rev. B 104, 115162 (2021).
  14. Y.M. Zhang, D.Q. Chen, W.T. Meng, S.F. Li*, S. Meng*. Plasmon-Induced Water Splitting on Ag-Alloyed Pt Single-Atom Catalysts. Front. Chem. 9, 742794 (2021).
  15. Q. Zhong, Z.H. Dai*, J.P. Wang, Y.C. Zhao*, S. Meng*. Ultra-low lattice thermal conductivity and high thermoelectric efficiency of K3AuO. J. Appl. Phys. 130, 045101 (2021).
  16. X.Y. Li, Z.L. Zhu, Q. Yang, Z.X. Cao, Y.L. Wang, S. Meng*, J.T. Sun*, H.J. Gao. Monolayer puckered pentagonal VTe2: An emergent two-dimensional ferromagnetic semiconductor with multiferroic coupling. Nano Res. 15, 1486 (2021).
  17. P. Cheng, L.J. Kong, T. Zhang, H. Liu, H.X. Fu, L. Chen, K.H. Wu, X. Chen, S. Meng, Q.K. Xue. In-Situ Manipulation of the Magnetic Anisotropy of Single Mn Atom via Molecular Ligands. Nano Lett. 21, 3566 (2021).
  18. Y.X. Liu, J. Zhang, S. Meng, C.Y. Yam, T. Frauenheim. Electric Field Tunable Ultrafast Interlayer Charge Transfer in Graphene/WS2 Heterostructure. Nano Lett. 21, 4403 (2021).
  19. J. Zhang†, H. Hong†, J.C. Zhang†, C.C. Wu, H. Peng, K.H. Liu*, S. Meng*. Unravelling a Zigzag Pathway for Hot Carrier Collection with Graphene Electrode. J. Phys. Chem. Lett. 12, 2886 (2021).
  20. T. Bo, Y.N. Wang, Y.Z. Liang, X.B. Liu, J. Ren, H.M. Weng, M. Liu*, S. Meng*. High-Throughput Screening of Element-Doped Carbon Nanotubes Toward an Optimal One-Dimensional Superconductor. J. Phys. Chem. Lett. 12, 6667 (2021).
  21. H. Hong, C.C. Wu, Z.X. Zhao, Y.G. Zuo, J.H. Wan, C. Liu, J. Zhang, F.F. Wang, J.G. Feng, H.B. Shen, J.B. Yin, Y.C. Wu, Y. Zhao, K.H. Liu, P. Gao, S. Meng, S.W. Wu, Z.P. Sun, K.H. Liu*, J. Xiong*. Giant enhancement of optical nonlinearity in two-dimensional materials by multiphoton-excitation resonance energy transfer from quantum dots. Nature Photon. 15, 510 (2021).
  22. Y.M. Zhang, L. Yan, M.X. Guan, D.Q. Chen, Z. Xu, H.Z. Guo*, S.Q. Hu, S.J. Zhang, X.B. Liu, Z.X. Guo*, S.F. Li*, S. Meng*. Indirect to Direct Charge Transfer Transition in Plasmon-Enabled CO2 Photoreduction. Adv. Sci. 21, 2978 (2021).
  23. S. Meng*. Time-dependent density functional theory of ultrafast electron-nuclear dynamics in crystals. In Lloyd-Hughes et al. "The 2021 ultrafast spectroscopic probes of condensed matter roadmap". J. Phys.: Condens. Matter 33, 353001 (2021).
  24. P.W. You, D.Q. Chen, C. Lian, C. Zhang, S. Meng*. First-principles dynamics of photoexcited molecules and materials towards a quantum description. WIREs: Compu. Mol. Sci. 11, 1492 (2021).
  25. 2020

  26. C. Lian, S.J. Zhang, S.Q. Hu, M.X. Guan, S. Meng*. Ultrafast charge ordering by self-amplied exciton-phonon dynamics in TiSe2. Nature Commun. 11, 43 (2020).
  27. C. Lian†, S.Q. Hu†, J. Zhang, C. Cheng, Z. Yuan, S.W. Gao*, S. Meng*. Integrated Plasmonics: Broadband Dirac Plasmons in Borophene. Phys. Rev. Lett. 125, 116802 (2020).
  28. H. Lakhotia, H.Y. Kim, M. Zhan, S.Q. Hu, S. Meng, E. Goulielmakis. Laser picoscopy of valence electrons in solids. Nature 583, 55 (2020).
  29. C.Y. Guo†, Y.Z. Meng†, H.X. Fu†, Q. Wang†, H.M. Wang, Y. Tian, J.B. Pen, R.Z. Ma, Y.X. Weng, S. Meng*, E.G. Wang*, Y. Jiang*. Probing Nonequilibrium Dynamics of Photoexcited Polarons on a Metal-Oxide Surface with Atomic Precision. Phys. Rev. Lett. 124, 206801 (2020).
  30. W. Ma, X. Zhang, Z. Xu, H.Z. Guo, G. Lu*, S. Meng*. Reducing Anomalous Hysteresis in Perovskite Solar Cells by Suppressing the Interfacial Ferroelectric Order. ACS Appl. Mater. Inter. 12, 12275 (2020).
  31. J.M. Li, Q.H. Xu, L.H. Sun, J.Y. Xu, D. Hao, X.Q. Tang, X.Y. Shan, S. Meng*, X.H. Lu*. Rotational and Vibrational Excitations of a Single Water Molecule by Inelastic Electron Tunneling Spectroscopy. J. Phys. Chem. Lett. 11, 1650 (2020).
  32. W. Ma†, Y. Jiao†, H.B. Li, H.Z. Guo, E. Kaxiras*, S. Meng*. Role of Explicitly Included Solvents on Ultrafast Electron Injection and Recombination Dynamics at TiO2/Dye Interfaces. ACS Appl. Mater. Inter. 12, 49174 (2020).
  33. Y. Cheng†, H. Hong†, H. Zhao†, C.C. Wu, Y. Pan, C. Liu, Y.G. Zuo, Z.H. Zhang, J. Xie, J.H. Wang, D.P. Yu, Y. Ye, S. Meng, K.H. Liu. Ultrafast Optical Modulation of Harmonic Generation in Two-Dimensional Materials. Nano Lett. 20, 8053 (2020).
  34. S.W. Shen, B. Shao, C.H.P. Wen, X.Q. Yuan, J.J. Gao, Z.W. Nie, X. Luo, B. Huang, Y.P. Sun, S. Meng, S.C. Yan. Single-water-dipole-layer-driven Reversible Charge Order Transition in 1T-TaS2. Nano Lett. 20, 8854 (2020).
  35. C.H. Dang, M.X. Guan, S. Hussain, W. Wen, Y.M. Zhu, L.Y. Jiao, S. Meng, L.M. Chen. Phase Transition Photodetection in Charge Density Wave Tantalum Disulfide. Nano Lett. 20, 6725 (2020).
  36. X.Y. Li, S. Meng*, J.T. Sun*. Emergence of d-orbital magnetic Dirac fermions in a MoS2 monolayer with squared pentagon structure. Phys. Rev. B 101, 144409 (2020).
  37. S.S. Yue†, H. Zhou†, D.Y. Geng, Z.Y. Sun, M. Arita, K. Shimada, P. Cheng, L. Chen, S. Meng*, K.H. Wu*, B.J. Feng*. Experimental observation of Dirac cones in artificial graphene lattices. Phys. Rev. B 102, 201401(R) (2020).
  38. Y.C. Zhao, C. Lian, S.M. Zeng, Z.H. Dai*, S. Meng*, J. Ni*. MgB4 trilayer film: A four-gap superconductor. Phys. Rev. B 101, 104507 (2020).
  39. J. Gou, L.J. Kong, X.Y. He, Y.L. Huang, J.T. Sun, S. Meng, K.H. Wu, L. Chen, A.T.S. Wee. The effect of moire superstructures on topological edge states in twisted bismuthene homojunctions. Sci. Adv. 6, eaba2773 (2020).
  40. P.W. You, J.Y. Xu, C. Zhang, S. Meng. Water on surfaces from first-principles molecular dynamics. Chin. Phys. B 29, 116804 (2020).
  41. J.Y. Xu, S. Meng*. Molecular transport across a two-dimensional nanomesh membrane–graphdiyne. J. Phys. D.: Appl. Phys. 53, 493003 (2020).
  42. H. Liu, J.T. Sun*, C.C. Song, H.Q. Huang, F. Liu*, S. Meng*. Fermionic Analogue of High Temperature Hawking Radiation in Black Phosphorus. Chin. Phys. Lett. 37, 067101 (2020).
  43. M.X. Guan, S.Q. Hu, H. Zhao, C. Lian, S. Meng*. Towards attosecond control of electron dynamics in two-dimensional materials. Appl. Phys. Lett. 116, 043101 (2020).
  44. 2019

  45. J.Y. Xu, H.Y. Jiang, Y.T. Shen, X.Z. Li, E.G. Wang*, S. Meng*. Transparent proton transport through a two-dimensional nanomesh material. Nature Commun. 10, 3971 (2019).
  46. L.N. Meng, N. Xin, C. Hu, J.Y. Wang, B. Gui, J.J. Shi, C. Wang, C. Shen, G.Y. Zhang, H. Guo*, S. Meng* , X.F. Guo*. Side-group chemical gating via reversible optical and electric control in a single molecule transistor. Nature Commun. 10, 1450 (2019).
  47. J. Zhang†, C. Lian†, M.X. Guan†, W. Ma, H.X. Fu, H. Guo, S. Meng*. Photoexcitation Induced Quantum Dynamics of Charge Density Wave and Emergence of a Collective Mode in 1T-TaS2. Nano Letters 19, 6027 (2019).
  48. C. Li†, K. Chen†, M.X. Guan†, X. Wang, X. Zhou, F. Zhai, J. Dai, Z. Li, Z. Sun, S. Meng* , K. Liu*, Q. Dai*. Extreme nonlinear strong-field photoemission from carbon nanotubes. Nature Commun. 10, 4891 (2019).
  49. Y. Yin, J.W. Wang, X.X. Wang, S.L. Li, M.R. Jorgensen, J.F. Ren, S. Meng*, L.B. Ma*, O. G. Schmidt. Water nanostructure formation on oxide probed in-situ by optical resonances. Science Advances 5 , 6973 (2019).
  50. J.Y. Xu, C.Q. Zhu, Y.F. Wang, H. Li, Y.F. Huang, Y.T. Shen, J. S. Francisco, X.C. Zeng*, S. Meng*. Water transport through subnanopores in the ultimate size limit: Mechanism from molecular dynamics. Nano Res. 12, 587 (2019).
  51. J. Zhang†, M.X. Guan†, J. Lischner*, S. Meng*, O.V. Prezhdo*. Coexistence of Different Charge-Transfer Mechanisms in the Hot-Carrier Dynamics of Hybrid Plasmonic Nanomaterials. Nano Letters 19, 3187 (2019).
  52. R.D. Liang, H.J. Xua, Y.N. Shen, S.M. Sun, J.Y. Xu, S. Meng, Y.R. Shen, C.S. Tian. Nucleation and dissociation of methane clathrate embryo at the gas–water interface. PNAS 116, 23410 (2019).
  53. J. Liu, S. Meng, J.T. Sun. Spin-Orientation-Dependent Topological States in Two-Dimensional Antiferromagnetic NiTl2S4 Monolayers. Nano Letters 19, 3321 (2019).
  54. X. Li, X. Yong, M. Wu, S.Y. Lu, H.Y. Liu, S. Meng, J.S. Tze, Y.W. Li. Hard BN Clathrate Superconductors. J. Phys. Chem. Lett. 10, 2554 (2019).
  55. M.X. Guan, C. Lian, S.Q. Hu, H. Liu, S.J. Zhang, J. Zhang, S. Meng*. Cooperative evolution of intraband and interband excitations for high-harmonic generation in strained MoS2. Phys. Rev. B 99, 184306 (2019).
  56. H. Liu, J.T. Sun*, S. Meng*. Engineering Dirac states in graphene: Coexisting type-I and type-II Floquet-Dirac fermions. Phys. Rev. B 99, 075121 (2019).
  57. J. Liu, W.J. Hou, E. Wang, S.J. Zhang, J.T. Sun*, S. Meng*. Ideal type-II Weyl phonons in wurtzite CuI. Phys. Rev. B 100, 081204(R) (2019).
  58. J. Bang, S. Meng, S.B. Zhang. Dynamic defect as nonradiative recombination center in semiconductors. Phys. Rev. B 100, 245208 (2019).
  59. P.W. You, J.Y. Xu, C. Lian, C. Zhang, X.Z. Li, E.G. Wang, S. Meng*. Quantum dynamics simulations: combining path integral nuclear dynamics and real-time TDDFT. Electronic Structure 1, 044005 (2019).
  60. B.J. Feng†, H. Zhou†, Y. Feng†, H. Liu, S.L. He, I. Matsuda, L. Chen, E.F. Schwier, K. Shimada, S. Meng*, K.H. Wu*. Superstructure-Induced Splitting of Dirac Cones in Silicene. Physical Review Letters 122, 196801 (2019).
  61. 2018

  62. X. Zhang†, J.Y. Xu†, Y.B. Tu, K. Sun, M.L. Tao, Z.H. Xiong, K.H. Wu, J.Z. Wang*, Q. K. Xue, S. Meng*. Hexagonal Monolayer Ice without Shared Edges. Physical Review Letters 121, 256001 (2018).
  63. H. Liu, J.T. Sun*, C. Cheng, F. Liu*, and S. Meng*. Photoinduced nonequilibrium topological states in strained black phosphorus. Physical Review Letters 120, 237403 (2018).
  64. C. Lian†, M.X. Guan†, S.Q. Hu, and S. Meng*. Photoexcitation in solids: First-principles quantum simulations by real time TDDFT. Advanced Theory and Simulations 1, 1800055 (2018).
  65. J. Zhang, J. Zhang, L. Zhou, C. Cheng, C. Lian, J. Liu, S. Tretiak, J. Lischner, F. Giustino, and S. Meng*. Universal scaling of intrinsic resistivity in two-dimensional metalic borophene. Angew. Chem. Int'l. Ed. 57, 4585 (2018).
  66. J. Zhang, H. Hong, J. Zhang, H.X. Fu, P.W. You, J. Lischner, K.H. Liu*, E. Kaxiras*, and S. Meng*. New Pathway for Hot Electron Relaxation in Two-dimensional Heterostructures. Nano Letters 18, 6057 (2018).
  67. H. Hong†, J.C. Zhang†, J. Zhang†, R.X. Qiao, F.R. Yao, Y. Cheng, C.C. Wu, L. Lin, K.C. Jia, Y.C. Zhao, Q. Zhao, P. Gao, J. Xiong, K.B. Shi, D.P. Yu, Z.F. Liu, S. Meng*, H.L. Peng*, K.H. Liu*. Ultrafast Broadband Charge Collection from Clean Graphene/CH3NH3PbI3 Interface. J. Am. Chem. Soc. 140, 14952 (2018).
  68. Y. Tian, L.Y. Wei, Q.H. Zhang, H.B. Huang, Y.L. Zhang, H. Zhou, F.J. Ma, L. Gu, S. Meng, L.Q. Chen, C.W. Nan, J.X. Zhang. Water printing of ferroelectric polarization. Nature Communications 9, 3809 (2018).
  69. H. Liu, J.T. Sun, M. Liu, and S. Meng. Screening Magnetic Two-Dimensional Atomic Crystals with Nontrivial Electronic Topology. J. Phys. Chem. Lett. 9, 6709 (2018).
  70. C. Cheng, J.T. Sun, H. Liu, H.X. Fu, J. Zhang, X.R. Chen, S. Meng. Hidden spin polarization in the 1T-phase layered transition-metal dichalcogenides MX2. Science Bulletin 63, 85 (2018).
  71. R. Ulbricht, S. DOng, A. Gali, S. Meng, Z.H. Loh. Vibrational relaxation dynamics of the nitrogen-vacancy center in diamond. Phys. Rev. B 97, 220302(R) (2018).
  72. J. Wang, L. Jin, H. Zhou, H.X. Fu, C.Y. Song, S. Meng*, J.X. Zhang*. Direct imaging of surface states hidden in the third layer of Si (111)-7 × 7 surface by pzwave tip.Appl. Phys. Lett. 113, 031604 (2018).
  73. Y.C. Zhao, S.M. Zeng, C. Lian, Z.H. Dai*, S. Meng*, J. Ni*. Multigap anisotropic superconductivity in borophenes. Phys. Rev. B 98, 134514 (2018).
  74. Y.C. Zhao, Z.H. Dai*, C. Zhang, C. Lian, S.M. Zeng, G. Li,S. Meng*, J. Ni*. Intrinsic electronic transport and thermoelectric power factor in n-type doped monolayer MoS2. New J. Phys. 20, 043009 (2018).
  75. Y.C. Zhao, X. Chen, Z.H. Dai*, C. Zhang, C. Lian, S.M. Zeng, S. Meng*, J. Ni*. Robust quantum spin Hall state and quantum anomalous Hall state in graphenelike BC3 with adatoms. New J. Phys. 20, 073047 (2018).
  76. X.X. Yang, Z.H. Dai, Y.C. Zhao, J.Y. Liu, S. Meng. Low lattice thermal conductivity and excellent thermoelectric behavior in Li3Sb and Li3Bi. J. Phys. Cond. Mat. 30, 425401 (2018).
  77. X.X. Yang, Z.H. Dai, Y.C. Zhao, S. Meng. Phonon thermal transport in monolayer FeB2 from first principles.Comp. Mat. Sci. 147, 132 (2018).
  78. J.Y. Liu, Z.H. Dai, X.X. Yang, Y.C. Zhao, S. Meng. Lattice thermodynamic behavior in nuclear fuel ThO2 from first principles. J. Nucl. Mat. 511, 11 (2018).
  79. X.X. Yang, Z.H. Dai, Y.C. Zhao, S. Meng. Phonon thermal transport in a class of graphene allotropes from first principles.Phys. Chem. Chem. Phys. 20, 15980 (2018).
  80. Y.F. Huang and S. Meng. Macroscopic superhydrophobicity achieved by atomic decoration with silicones. J. Chem. Phys. 149, 014706 (2018).
  81. Y.F. Huang, J. Lu, and S. Meng. Transparency in Graphene Mediated Evaporation. 2D Materials 5, 041001 (2018).
  82. L. Yan, M.X. Guan, and S. Meng. Plasmon-induced nonlinear response of silver atomic chains. Nanoscale 10, 8600 (2018).
  83. C. Lian, S.Q. Hu, M.X. Guan, and S. Meng. Momentum-resolved TDDFT algorithm in atomic basis for real time tracking of electronic excitation. J. Chem. Phys. 149, 154104 (2018).
  84. A. Dong, L. Yan, L.H. Sun, S.C. Yan, X.Y. Shan, Y. Guo, S. Meng*, X.H. Lu*. Identifying Few-Molecule Water Clusters with High Precision on Au(111) Surface. ACS Nano 12, 6452 (2018).
  85. B.J. Feng, J. Zhang, S. Ito, M. Arita, C. Cheng, L. Chen, K.H. Wu, F. Komori, O. Sugino, K. Miyamoto, T. Okuda, S. Meng, I. Matsuda. Discovery of 2D Anisotropic Dirac Cones. Advanced Materials 30, 1704025 (2018).
  86. L. Yan, J.Y. Xu, F.W. Wang, and S. Meng. Plasmon-Induced Ultrafast Hydrogen Production in Liquid Water. J. Phys. Chem. Lett. 9, 63 (2018).
  87. 2017

  88. J. Zhang†, H. Hong†, C. Lian†, W. Ma, X. Xu, X. Zhou, H. Fu, K.H. Liu*, and S. Meng*. Interlayer-State-Coupling Dependent Ultrafast Charge Transfer in MoS2/WS2 Bilayers. Adv. Sci. 4, 1700086 (2017).
  89. C. Cheng, J.T. Sun, H. Liu, H.X. Fu, J. Zhang, X.R. Chen, S. Meng. Suppressed superconductivity in substrate-supported β12 borophene by tensile strain and electron doping. 2D Materials 4, 025032 (2017).
  90. B.J. Feng, O. Sugino, R.Y. Liu, J. Zhang, R. Yukawa, M. Kawamura, T. Iimori, H. Kim, Y. Hasegawa, H. Li, L. Chen, K.W. Wu, H. Kumigashira, F. Komori, T.C. Chiang, S. Meng, I. Matsuda. Dirac fermions in borophene. Physical Review Letters 118, 096408 (2017).
  91. J. Liang, J. Zhang, Z.Z. Li, H. Hong, J.H. Wang, Z.H. Zhang, X. Zhou, R.X. Qiao, J.Y. Xu, P. Gao, Z.H. Liu, Z.F. Liu, Z.P. Sun*, S. Meng*, K.H. Liu*, D.P. Yu. Monitoring Local Strain Vector in Atomic-layered MoSe2 by Second-Harmonic Generation. Nano Letters 17, 7539 (2017).
  92. B. Liu, H.X. Fu, J.Q. Guan, B. Shao, S. Meng*, J.D. Guo*, W.H. Wang*. An Iron-Porphyrin Complex with Large Easy-Axis Magnetic Anisotropy on Metal Substrate. ACS Nano 11, 11402 (2017).
  93. C. Cheng, J.T. Sun, M. Liu, X.R. Chen, S. Meng. Tunable electron-phonon coupling superconductivity in platinum diselenide. Phys. Rev. Materials 1, 074804 (2017).
  94. Z.J. Ding, L. Yan, Z. Li, W. Ma, G. Lu, S. Meng. Controlling catalytic activity of gold cluster on MgO thin film for water splitting. Phys. Rev. Materials 1, 045404 (2017).
  95. F. Gao, S.W. Gao, S. Meng. Screening single-atom catalysts for methane activation: α-Al2O3(0001)-supported Ni. Phys. Rev. Materials 1, 035801 (2017).
  96. Y.C. Zhao, Z.H. Dai, C. Lian, S.M. Zeng, G. Li, J. Ni, S. Meng. Low lattice thermal conductivity and good thermoelectric performance of cinnabar. Phys. Rev. Materials 1, 065401 (2017).
  97. J.Q. Guan, J. Liu, B. Liu, X.C. Huang, Q. Zhu, X.T. Zhu, J.T. Sun, S. Meng*, W.H. Wang*, J.D. Guo*. Superconducting transition of FeSe/SrTiO3 induced by adsorption of semiconducting organic molecules. Phys. Rev. B 95, 205405 (2017).
  98. C.C. Jia, W. Ma, J.X. Guan, C.H. Gu, X.X. Li, L.N. Meng, Y. Gong, S. Meng*, X.F. Guo*. High-Efficiency Photovoltaic Conversion at Selective Electron Tunneling Heterointerfaces. Advanced Electronic Materials 3, 1700211 (2017).
  99. Z.H. Ji, H. Hong, J. Zhang, Q. Zhang, W. Huang, T. Cao, R.X. Qiao, C. Liu, J. Liang, C.H. Jin, L.Y. Jiao, K.B. Shi, S. Meng, K.H. Liu. Robust Ultrafast Charge Transfer in MoS2/WS2 Bilayers. ACS Nano 11, 12020 (2017).
  100. Y.H. Yu†, H.X. Fu†, L. She, M. Huang, S.Z. Lu, Q.M. Guo, H. Li, S. Meng, G.Y. Cao. Two-dimensional ferromagnetic superstructures: Fe on Sb(111). ACS Nano 11, 2143(2017).
  101. R.W. Liu, S.N. Fan, D.D. Xiao, J. Zhang, M.Z. Liao, S.S. Yu, F.L. Meng, B.L. Liu, L. Gu, S. Meng, G.Y. Zhang, W.T. Zheng, S.X. Hu, M. Li. Free-Standing Single-Molecule Thick Crystals Consisting of Linear Long-Chain Polymers. Nano Letters 17, 1655 (2017).
  102. F.P. Bonafe, B. Aradi, M.X. Guan, O. A. Douglas-Gallardo, C. Lian, S. Meng, T. Frauenheim, C.G. Sanchez. Plasmon-driven sub-picosecond breathing of metal nanoparticles. Nanoscale 9, 12391 (2017).
  103. Q. Zhong, J. Zhang, P. Cheng, B.J. Feng, W.B. Li, S.X. Sheng, H. Li, S. Meng, L. Chen, K.H. Wu. Metastable phases of 2D boron sheets on Ag(111). J. Phys.: Condens. Matter 29, 095002 (2017).
  104. J. Xu, Z.S. Lin, S. Meng, J.T. Wang, L.F. Xu, E.G. Wang. Self-assembly of glycine on Cu(001): the effect of temperature and polarity. RSC Adv. 7, 4116 (2017).
  105. C.Q. Zhu, Y.R. Gao, Y.Y. Huang, H. Li, S. Meng, J.S. Francisco, X.C. Zeng. Controlling states of water droplets on nanostructured surfaces by design. Nanoscale 9, 18240 (2017).
  106. P. Zhao, Y.F. Huang, Y.T. Shen, S. Yang, L. Chen, K.H. Wu, H. Li, S. Meng. A modified Wenzel model for water wetting on van der Waals layered materials with topographic surfaces. Nanoscale 9, 3843 (2017).
  107. L. Yan, S. Meng. Atomistic insights into plasmon induced water splitting. Sci. China - Phys. Mech. Astron. 60, 027032 (2017).
  108. Y.C. Zhao, Z.H. Dai*, C. Zhang, C. Lian, S.M. Zeng, G. Li, S. Meng*, J. Ni*. High thermopower and potential thermoelectric properties of crystalline LiH and NaH. Phys. Rev. B 95, 014307 (2017).
  109. L.Y. Wei, W. Ma, C. Lian, S. Meng. Benign Interfacial Iodine Vacancies in Perovskite Solar Cells. J. Phys. Chem. C 121, 5905 (2017).
  110. J. Liu, W.J. Hou, C. Cheng, H.X. Fu, J.T. Sun*, S. Meng*. Intrinsic valley polarization of magnetic VSe2 monolayers. J. Phys.: Condens. Matter 29, 255501 (2017).
  111. L.Y. Wei, C. Lian, S. Meng. Prediction of two-dimensional electron gas mediated magnetoelectric coupling at ferroelectric PbTiO3/SrTiO3 heterostructures. Phys. Rev. B 95, 184102 (2017).
  112. C. Lian and S. Meng. Dirac cone pairs in silicene induced by interface Si-Ag hybridization: A first-principles effective band study. Phys. Rev. B 95, 245409 (2017).
  113. 2016

  114. L. Yan, F.W. Wang, S. Meng. Quantum Mode Selectivity of Plasmon-Induced Water Splitting on Gold Nanoparticles. ACS Nano 10, 5452 (2016).
  115. C. Lian, S. B. Zhang, S. Meng. Ab initio evidence for nonthermal characteristics in ultrafast laser melting. Phys. Rev. B 94, 184310 (2016).
  116. C.C. Jia†, W. Ma†, G.H. Gu, H.L. Chen, H.M. Yu, X.X. Li, F. Zhang, L. Gu, A.D. Xia, X.Y. Hou, S. Meng*, X.F. Guo*. High-Efficiency Selective Electron Tunnelling in a Heterostructure Photovoltaic Diode. Nano Letters 16, 3600 (2016).
  117. 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 94, 035427 (2016).
  118. F. Zhang†, W. Ma†, H.Z. Guo, Y.C. Zhao, X.Y. Shan, K.J. Jin, H. Tian, Q. Zhao, D.P. Yu, X.H. Lu, G. Lu, S. Meng. Interfacial Oxygen Vacancies as a Potential Cause of Hysteresis in Perovskite Solar Cells. Chemistry of Materials 28, 802 (2016).
  119. 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 94, 041408 (R)(2016).
  120. B.J. Feng, J. Zhang, Q. Zhong, W.B. Li, S. Li, H. Li, P. Cheng, S. Meng, L. Chen, K.W. Wu. Experimental realization of two-dimensional boron sheets. Nature Chemistry 8, 563 (2016).
  121. Y.Y. Huang†, C.Q. Zhu†, L. Wang, X.X. Cao, Y. Su, X. Jiang, S. Meng, J.J. Zhao, X. C. Zeng. A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate s-III. Science Advances 2, e1501010 (2016).
  122. C.Q. Zhu, Y.R. Gao, H. Li, S. Meng, L. Li, J. S. Francisco, X. C. Zeng. Characterizing hydrophobicity of amino acid side chains in a protein environment via measuring contact angle of a water nanodroplet on planar peptide network. PNAS 113, 12946 (2016).
  123. Y. Guo, Z. J. Ding, L.H. Sun, J.M. Li, S. Meng*, X.H. Lu*. Inducing Transient Charge State of a Single Water Cluster on Cu(111) Surface. ACS Nano 10, 4489 (2016).
  124. L.J. Zhou†*, J. Zhang†, Z.W. Zhuo, L.Z. Kou, W. Ma, B. Shao, A.J. Du, S. Meng*, T. Frauenheim. Novel Excitonic Solar Cells in Phosphorene-TiO2 Heterostructures with Extraordinary Charge Separation Efficiency. J. Phys. Chem. Lett. 7, 1880 (2016).
  125. H.Z. Zhang, J.T. Sun, H.F. Yang, H.X. Fu, S. Meng*, C.Z. Gu*. Tunable magnetic moment and potential half-metal behavior of Fenanostructure-embedded graphene perforation. Carbon 107, 268 (2016).
  126. B. Adhikari, S. Meng, M. Fyta. Carbene-mediated self-assembly of diamondoids on metal surfaces. Nanoscale 8, 8966 (2016).
  127. S.Y. Lu, H.Y. Liu, I.I. Naumov, S. Meng, Y.W. Li, J.S. Tse, B. Yang, R.J. Hemley. Superconductivity in dense carbon-based materials. Phys. Rev. B 93, 104509 (2016).
  128. C.C. Jia, X.Z. Li, N. Xin, Y. Gong, J.X. Guan, L.N. Meng, S. Meng, X.F. Guo. Interface-Engineered Plasmonics in Metal/Semiconductor Heterostructures. Advanced Energy Materials 6, 1600431 (2016).
  129. H.L. Chen, N.Y. Cheng, W. Ma, M.L. Li, S.X. Hu, L. Gu, S. Meng, X.F. Guo. Design of a Photoactive Hybrid Bilayer Dielectric for Flexible Nonvolatile Organic Memory Transistors. ACS Nano 10, 436 (2016).
  130. S.Y. Lu, R.D. Cong, S.J. Zhu, X.H. Zhao, J.J. Liu, J.S. Tse, S. Meng, B. Yang. pH-Dependent Synthesis of Novel Structure-Controllable Polymer-Carbon NanoDots with High Acidophilic Luminescence and Super Carbon Dots Assembly for White Light-Emitting Diodes. ACS Appl. Mater. Interfaces 8, 4062 (2016).
  131. H.Z. Guo, J.O. Wang, X. He, Z.Z. Yang, Q.H. Zhang, K.J. Jin, C. Ge, R.Q. Zhao, L. Gu, Y.Q. Feng, W.J. Zhou, X.L. Li, Q. Wan, M. He, C.H. Hong, Z.Y. Guo, C. Wang, H.B. Lu, K. Ibrahim, S. Meng, H. Yang, G.Z. Yang. The Origin of Oxygen Vacancies Controlling La2/3Sr1/3MnO3 Electronic and Magnetic Properties. Adv. Mater. Inter. 3, 1500753 (2016).
  132. 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. 645, 74 (2016).
  133. T. Ye, S. Meng, J. Zhang, Y.W. E, Y.P. Yang, W.M. Liu, Y. Yin, L. Wang. Mechanism and modulation of terahertz generation from a semimetal - graphite. Scientific Reports 6, 22798 (2016).
  134. M. Gao, D.P. Wang, Y.F. Huang, S. Meng, W.H. Wang. Tunable hydrophobicity on fractal and micro-nanoscale hierarchical fracture surface of metallic glasses. Materials and Design 95, 612 (2016).
  135. Y.C. Zhao, W.K. Zhou, W. Ma, S. Meng, H. Li, J. Wei, R. Fu, K.H. Liu, D.P. Yu, Q. Zhao. Correlations between Immobilizing Ions and Suppressing Hysteresis in Perovskite Solar Cells. ACS Energy Letters 1, 266 (2016).
  136. Z.F. Wu†, W. Ma†, S. Meng*, X. Li, J. Li, Q. Zou, J.L. Hua*, H. Tian. New sensitizers containing amide moieties as electron-accepting and anchoring groups for dyesensitized solar cells†. RSC Adv. 6, 74039 (2016).
  137. W.W. Zhong†, Y.F. Huang†, D. Gan, J.Y. Xu, H. Li, G. Wang, S. Meng*, X.L. Chen*. Wetting behavior of water on silicon carbide polar surfaces. Phys. Chem. Chem. Phys. 18, 28033 (2016).
  138. H. Li, J.Y. Xu, S. Meng. Surface water at nanoscale: insights from multiscale molecular dynamics simulations. Sci. Sin. -Phys. Mech. Astron. 46, 057006 (2016).
  139. W. Ma, J. Zhang, L. Yan, Y. Jiao, Y. Gao, S. Meng. Recent progresses in real-time local-basis implementation of time dependent density functional theory for electron–nucleus dynamics. Comp. Mat. Sci. 112, 478 (2016).
  140. J.T. Sun, Z.F. Wang, S. Meng, S.X. Du, F. Liu, H.J. Gao. Spin-polarized valley Hall effect in ultrathin silicon nanomembrane via interlayer antiferromagnetic coupling. 2D Materials 3, 035026 (2016).
  141. C. Cheng, J.T. Sun, X.R. Chen, H.X. Fu, S. Meng. Nonlinear Rashba spin splitting in transition metal dichalcogenide monolayers. Nanoscale 8, 17854 (2016).
  142. H.X. Fu, J. Ren, L. Chen, C. Si, J.L. Qiu, W.B. Li, J. Zhang, J.T. Sun, H. Li, K.H. Wu, W.H. Duan, S. Meng. Prediction of silicon-based room temperature quantum spin Hall insulator via orbital mixing. EPL 113, 67003 (2016).
  143. 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. 3, 1500727 (2016).
  144. 2015

  145. Huixia Fu, Lan Chen, Jian Chen, Jinglan Qiu, Zijing Ding, Jin Zhang, Kehui Wu, Hui Li, S. Meng. Multilayered silicene: the bottom-up approach for a weakly relaxed Si(111) with Dirac surface state. Nanoscale 7, 15880 (2015).
  146. Lei Yan, Zijing Ding, Peng Song, Fangwei Wang, S. Meng. Plasmon-induced dynamics of H2 splitting on a silver atomic chain. Appl. Phys. Lett. 107, 083102 (2015).
  147. Y. L. Wu, Q. Wu, F. Sun, C. Cheng, S. Meng*, and J. M. Zhao*. Emergence of electron coherence and two-color all-optical switching in MoS2 based on spatial self-phase modulation. PNAS 112, 11800 (2015).
  148. J. L. Qiu, H. X. Fu, Y. Xu, A. I. Oreshkin, T. N. Shao, H. Li, S. Meng, L. Chen, and K. H. Wu. Ordered and Reversible Hydrogenation of Silicene. Physical Review Letters 114, 126101 (2015).
  149. Z. L. Li, L. L. Chen, S. Meng*, L. W. Guo*, J. Huang, Y. Liu, W. J. Wang, and X. L. Chen*. Field and temperature dependence of intrinsic diamagnetism in graphene: Theory and experiment. Phys. Rev. B 91, 094429 (2015).
  150. S. Meng, Lauren F. Greenlee, Yuen Ron Shen, and Enge Wang. Basic science of water: Challenges and current status towards a molecular picture. Nano Research 8, 3085 (2015).
  151. J. T. Sun, S. R. Song, S. Meng, S. X. Du, F. Liu, H. J. Gao. Surface confined quantum well state in MoS2(0001) thin film. Appl. Phys. Lett. 107, 161602 (2015).
  152. 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. Astro. 58, 106801 (2015).
  153. H. Li, H. X. Fu, S. Meng. Silicene: from monolayer to multilayer — A concise review. Chin. Phys. B 24, 086102 (2015).
  154. H. L. Chen, S. H. Dong, M. L. Ba , N. Y. Cheng, H. Wang, M. L. Li, H. W. Du, S. X. Hu, Y. L. Yang, T. Y. Yang, F. Zhang, L. Gu, S. Meng, S. M. Hou, and X. F. Guo. Solution-Processable, Low-Voltage, and High-Performance Monolayer Field-Effect Transistors with Aqueous Stability and High Sensitivity. Advanced Materials 27, 2113 (2015).
  155. J. L. Qiu, H. X. Fu, Y. Xu, Q. Zhou, S. Meng, H. Li, L. Chen, K. H. Wu. From Silicene to Half-Silicane by Hydrogenation. ACS Nano 9, 11192 (2015).
  156. H. Z. Zhang, S. Meng, H. F. Yang, L. Li, H. X. Fu, W. Ma, C. Y. Niu, J. T. Sun and C. Z. Gu. Tuning magnetic splitting of zigzag graphene nanoribbons by edge functionalization with hydroxyl groups. J. Appl. Phys. 117, 113902 (2015).
  157. F. Gao, J. T. Sun, and S. Meng. 'H2 sponge': Pressure as a means for reversible high-capacity hydrogen storage in Ca-intercalated covalent organic framework. Nanoscale 7, 6319 (2015).
  158. Z. J. Ding, S. W. Gao, and S. Meng. Orbital Dependent Interaction of Quantum Well States for Catalytic Water Splitting. New J. Phys. 17, 013023 (2015).
  159. 2014

  160. F. Zhang, W. Ma, Y. Jiao, J. C. Wang, X. Y. Shan, H. Li, X. H. Lu, and 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. 6, 22359(2014).
  161. 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. 136, 17477 (2014).
  162. C. Q. Zhu, Hui Li, and S. Meng*. Transport behavior of water molecules through two-dimensional nanopores. J. Chem. Phys. 141, 18C502 (2014).
  163. Y. H. Yu, L. M. She, H. X. Fu, M. Huang, H. Li, S. Meng, and G. Y. Cao. Kondo Effect Mediated Topological Protection: Co on Sb(111). ACS Nano 8, 11576 (2014).
  164. H. W. Yang, H. R. Zhang, Y. Li, S. F. Wang, X. Shen, Q. Q. Lan, S. Meng, R. C. Yu, B. G. Shen, J. R. Sun. Anomalous magnetism in strained La1-xSrxCoO3 epitaxial films (0< x <0.5). Scientific Reports 4, 6206 (2014).
  165. Wei Ma, Fan Zhang, and S. Meng*. Dye-sensitized solar cells: Atomic scale investigation of interface structure and dynamics. Chin. Phys. B 23, 086801 (2014).
  166. Wei Ma, Yang Jiao, and S. Meng*. Predicting Energy Conversion Efficiency of Dye Solar Cells from First Principles. J. Phys. Chem. C 118, 16447 (2014).
  167. Huixia Fu, Jin Zhang, Zijing Ding, Hui Li*, and S. Meng*. Stacking-dependent electronic structure of bilayer silicene. Appl. Phys. Lett. 104, 131904 (2014).
  168. 2013

  169. C. Q. Zhu, H. Li, Y. F. Huang, X. C. Zeng, and S. Meng*. Microscopic insight into surface wetting: Relations between interfacial water structure and the underlying lattice constant. Physical Review Letters 110, 126101 (2013).
  170. L. Chen, H. Li, B. Feng, Z. Ding, J. Qiu, P. Cheng, K. H. Wu*, and S. Meng*. Spontaneous symmetry breaking and dynamic phase transition in monolayer silicene. Physical Review Letters 110, 085504 (2013).
  171. G. A. Tritsaris, E. Kaxiras, S. Meng*, E. G. Wang. Adsorption and diffusion of lithium on layered silicon for Li-ion storage. Nano Letters 13, 2258 (2013).
  172. J. Bang, S. Meng, Y.-Y. Sun, D. West, Z. Wang, F. Gao, and S. B. Zhang. Regulating energy transfer of excited carriers and the case for excitation-induced hydrogen dissociation on hydrogenated graphene. PNAS 110, 908 (2013).
  173. L. Chen, C.-C. Liu, B. Feng, X. He, P. Cheng, Z. J. Ding, S. Meng, Y. G. Yao, K. H. Wu. Evidence for Dirac Fermions in a Honeycomb Lattice Based on Silicon-Reply. Physical Review Letters 110, 229702 (2013).
  174. Wei Ma, Yang Jiao, and S. Meng*. Modeling charge recombination in dye-sensitized solar cells using first-principles electron dynamics: effects of structural modification. Phys. Chem. Chem. Phys. 15, 17187 (2013).
  175. Chongqin Zhu, Hui Li, X.C. Zeng*, E. G. Wang, and S. Meng*. Quantized Water Transport: Ideal Desalination through Graphyne-4 Membrane. Scientific Reports 3, 3163 (2013).
  176. B. J. Feng, H. Li, C. C. Liu, T. N. Shao, P. Cheng, Y.G. Yao, S. Meng, L. Chen, and K. H. Wu. Observation of Dirac Cone Warping and Chirality Effects in Silicene. ACS Nano 7, 9049 (2013).
  177. Yang Jiao, Wei Ma, and S. Meng*. Quinoid conjugated dye designed for efficient sensitizer in dye sensitized solar cells. Chem. Phys. Lett. 586, 97 (2013).
  178. Z. M. Wang, F. M. Li, S. Meng, J. D. Zhang, E.W. Plummer, U. Diebold, and J. D. Guo. Strain-Induced Defect Superstructure on the SrTiO3 (110) Surface. Physical Review Letters 111, 056101 (2013).
  179. Fan Zhang, Feng Shi, Wei Ma, Fei Gao, Yang Jiao, Hui Li, Jingchuan Wang, Xinyan Shan, Xinghua Lu, and S. Meng*. Controlling Adsorption Structure of Eosin Y Dye on Nanocrystalline TiO2 Films for Improved Photovoltaic Performances. J. Phys. Chem. C 117, 14659 (2013).
  180. F. Gao, Z. J. Ding, and S. Meng*. Three-dimensional metal-intercalated covalent organic frameworks for near-ambient energy storage. Scientific Reports 3, 1882 (2013).
  181. J. Bang, Z. Wang, F. Gao, S. Meng, and S. B. Zhang. Suppression of nonradiative recombination in ionic insulators by defects: Role of fast electron trapping in Tl-doped CsI. Phys. Rev. B 87, 205206 (2013).
  182. J. Feng†, Y. Jiao†, W. Ma, Md. K. Nazeeruddin, M. Graetzel, S. Meng*. First principles design of dye molecules with ullazine donor for dye sensitized solar cells. J. Phys. Chem. C 117, 3772 (2013).
  183. Y. Jiao, F. Zhang, M. Graetzel, and S. Meng*. Structure-property relation in all-organic dye sensitized solar cells. Adv. Funct. Mater. 23, 424 (2013).
  184. 2012

  185. Z. J. Ding and S. Meng*. Promote water photosplitting via tuning quantum well states in supported metal clusters. Phys. Rev. B 86, 045455 (2012).
  186. B. Feng, Z. J. Ding, S. Meng, Y. G. Yao, X. He, P. Cheng, L. Chen, K. H. Wu. Evidence of Silicene in Honeycomb Structures of Silicon on Ag(111). Nano Letters 12, 3505 (2012).
  187. P. Song, S. Meng, P. Nordlander, S. Gao. Quantum Plasmonics: Symmetry-dependent plasmon-molecule coupling and quantized photoconductances. Phys. Rev. B 86, 121410(R) (2012).
  188. L. Chen, C.-C. Liu, B. Feng, X. He, P. Cheng, Z. J. Ding, S. Meng, Y. G. Yao, K. H. Wu. Evidence for Dirac Fermions in a Honeycomb Lattice Based on Silicon. Physical Review Letters 109, 056804 (2012).
  189. S. Meng*, I. Jung, J. Feng, R. Scopelliti, D. Di Censo, M. Gratzel, M. K. Nazeeruddin, E. Baranoff*. Bis(pyrazol-1-yl)methane as non-chromophoric ancillary ligand for charged bis-cyclometalated iridium(III) complexes. Eur. J. Inorg. Chem., 3209 (2012).
  190. S. C. Yan, Z. J. Ding, N. Xie, H. Q. Gong, Q. Sun, Y. Guo, X. Y. Shan, S. Meng*, X. H. Lu*. Turning on and off the rotational oscillation of a single porphine molecule by molecular charge state. ACS Nano 6, 4132 (2012).
  191. Y. B. Gao, Y. F. Zhang, J. Ren, D. H. Li, T. Gao, R. Q. Zhao, Y. L. Yang, S. Meng, C. Wang, Z. F. Liu. Sequential Assembly of Metal-Free Phthalocyanine on Few-Layer Epitaxial Graphene Mediated by Thickness-Dependent Surface Potential. Nano Research 5, 543 (2012).
  192. I. Hamada*, S. Meng*. Water wetting on representative metal surfaces: Improved description from van der Waals density functionals. Chem. Phys. Lett. 521, 161 (2012).
  193. J. Ren, S. Meng*, E. Kaxiras. Theoretical Investigation of the C60/Copper-Phthalocyanine Organic Photovoltaic Heterojunciton. Nano Research 5, 248 (2012).
  194. X. Li, J. Feng, E. G. Wang, S. Meng, J. Klimes, and A. Michaelides. Influence of water on the electronic structure of metal-supported graphene: Insights from van der Waals density functional theory. Phys. Rev. B 85, 085425 (2012).
  195. 2011

  196. F. Bian, Y. C. Tian, R. Wang, H. X. Yang, H. X. Xu, S. Meng*, and J. M. Zhao*. Ultrasmall Silver Nanopores Fabricated by Femtosecond Laser Pulses. Nano Letters 11, 3251 (2011).
  197. A. Gali*, E. Kaxiras, G. T. Zimanyi, and S. Meng*. Effect of symmetry breaking on the optical absorption of semiconductor nanoparticles. Phys. Rev. B 84, 035325 (2011).
  198. F. M. Li, Z. M. Wang, S. Meng, Y. B. Sun, J. L. Yang, Q. L. Guo, and J. D. Guo. Reversible Transition between Thermodynamically Stable Phases with Low Density of Oxygen Vacancies on the SrTiO3(110) Surfaces. Physical Review Letters 107, 036103 (2011).
  199. J. Ren, S. Meng*, Y. L. Wang, X. C. Ma, Q. K. Xue, E. Kaxiras. Properties of copper (fluoro-)phthalocyanine layers deposited on epitaxial graphene. J. Chem. Phys. 134, 194706 (2011).
  200. M. Katono, T. Bessho, S. Meng, R. Humphry-Baker, G. Rothenberger, S. M. Zakeeruddin, E. Kaxiras, M. Gratzel. D-pi-A dye system containing cyano-benzoic acid as anchoring group for dye-Sensitized solar cells. Langmuir 27, 14248 (2011).
  201. Y. Jiao, Z. J. Ding, S. Meng*. Atomistic mechanism of charge separation upon photoexcitation at the dye-semiconductor interface for photovoltaic applications. Phys. Chem. Phys. Chem. 13, 13196 (2011).
  202. Z. J. Ding, L. Zhao, L. M. Suo, Y. Jiao, S. Meng*, Y. S. Hu*, Z. X. Wang and L. Q. Chen. Towards understanding the effects of carbon and nitrogen-doped carbon coating on the electrochemical performance of Li4Ti5O12 in lithium ion batteries: a combined experimental and theoretical study. Phys. Chem. Phys. Chem. 13, 15127 (2011).
  203. Z. J. Ding, Y. Jiao, and S. Meng*. Quantum simulation of molecular interaction and dynamics at surfaces . Front. Physics 6, 294 (2011).
  204. S. Meng*, E. Kaxiras, M. K. Nazeerruddin, M. Gratzel. Design of dye acceptors for photovoltaics from first-principles calculations, J. Phys. Chem. C 115, 9276 (2011).
  205. Y. Gao, Z. Yuan. Anisotropic low-energy plasmon excitations in doped graphene: An ab initio study. Solid State Commun. 151, 1009 (2011).
  206. Y. Gao, Z. Yuan, and S. W. Gao. Semiclassical approach to plasmon-electron coupling and Landau damping of surface plasmons. J. Chem. Phys. 134, 134702 (2011).
  207. P. Song, P. Norlander, S. W. Gao. Quantum mechanical study of the coupling of plasmon excitations to atomic-scale electron transport. J. Chem. Phys. 134, 074701 (2011).
  208. 2010

  209. S. Meng*, E. Kaxiras. Electron and hole dynamics in dye-sensitized solar cells: Influencing factors and systematic trends, Nano Letters 10, 1238 (2010).
  210. Y. L. Wang, J. Ren, C. L. Song, Y. P. Jiang, L. L. Wang, K. He, X. Chen, J. F. Jia, S. Meng*, E. Kaxiras, Q. K. Xue, X. C. Ma*. Selective adsorption and electronic interaction of F16CuPc on epitaxial graphene, Phys. Rev. B 82, 245420 (2010).
  211. J. Ren, E. Kaxiras*, S. Meng*. Optical properties of clusters and molecules from real-time time-dependent density functional theory using a self-consistent field, Molecular Physics 108, 1829 (2010).
  212. T. Schiros, H. Ogasawara, L. Naslund, K. J. Andersson, J. Ren, S. Meng, G. S. Karlberg, M. Odelius, A. Nilssona, L.G.M. Pettersson. Cooperativity in surface bonding and hydrogen bonding of water and hydroxyl at metal surfaces, J. Phys. Chem. C 114, 10240 (2010)
  213. E. Manousakis, J. Ren, S. Meng, E. Kaxiras. Is the nature of magnetic order in copper-oxides and in iron-pnictides different? Solid State Communications 150, 62 (2010).
  214. 2002-2009

  215. W. L. Wang, O. V. Yazyev, S. Meng, E. Kaxiras. Spin logic gates based on graphene nanoflakes, Physical Review Letters 102, 157201 (2009).
  216. C. E. Lekka, J. Ren, S. Meng, E. Kaxiras. Structure, electronic and optical properties of representative Cu-flavonoid, J. Phys. Chem. B 113, 6478 (2009)
  217. S. Meng, J. Ren, E. Kaxiras. Natural dyes adsorbed on TiO2 nanowire for photovoltaic applications: enhanced light absorption and ultrafast electron injection. Nano Letters8, 3266 (2008).
  218. S. Meng, E. Kaxiras. Mechanisms for ultrafast non-radiative relaxation in electronically excited eumelanin constituents. Biophysical Journal 95, 4396 (2008).
  219. S. Meng, E. Kaxiras. Local basis-set and real time implementation of time-dependent density-functional theory for excited state dynamics simulations. J. Chem. Phys. 129, 054110 (2008).
  220. S. Meng, E. Kaxiras. Theoretical models of eumelanin protomolecules and their optical properties. Biophysical Journal 94, 2095 (2008).
  221. J. Ren, S. Meng. A first-principles study of water on copper and noble metal (110) surfaces. Phys. Rev. B 77, 054110 (2008).
  222. W. L. Wang, S. Meng, E. Kaxiras. Graphene nanoflakes with large spin. Nano Letters 8, 241 (2008).
  223. E. Manousakis, J. Ren, S. Meng, E. Kaxiras. Effective hamiltonian for FeAs based superconductors. Phys. Rev. B 78, 205112 (2008).
  224. J. Ren, S. Meng, C. E. Lekka, E. Kaxiras. Complexation of Flavonoids with Iron: Structure and Optical Signatures. J. Phys. Chem. B 112, 1845 (2008).
  225. O. V. Yazyev,W. L. Wang, S. Meng, E. Kaxiras. Comment on Graphene Nanoflakes with Large Spin: Broken-Symmetry States. Nano Letters 8, 766 (2008).
  226. S. Meng, W.L. Wang, P. Maragakis, E. Kaxiras. Determination of DNA bases orientation on carbon nanotubes through directional optical absorbance. Nano Letters 7, 2312 (2007).
  227. S. Meng, E. Kaxiras, Z. Y. Zhang. Metal-diboride nanotubes as high capacity hydrogen storage media. Nano Letters 7, 663 (2007).
  228. S. Meng, P. Maragakis, C. Papaloukas, E. Kaxiras. DNA nucleosides interaction and identification with carbon nanotubes. Nano Letters 7, 45 (2007).
  229. S. Meng, E. Kaxiras, Z. Y. Zhang. Wettability of water on closely-packed metal surfaces. J. Chem. Phys. 127, 244710 (2007).
  230. Y. Lei, Z. X. Guo, W. G. Zhu, S. Meng, Z. Y. Zhang. Water splitting and hydrogen generation at Ti-adsorbed carbon nanotubes. Appl. Phys. Lett. 91, 161906 (2007).
  231. Y. Yang and S. Meng. Atomistic nature of NaCl nucleation at the solid-liquid interface. J. Chem. Phys. 126, 044708 (2007).
  232. S. Meng, Z. Y. Zhang, E. Kaxiras. Tuning solid surfaces from hydrophobic to superhydrophilic by submonolayer surface modification. Physical Review Letters 97, 036107 (2006).
  233. E. Kaxiras, A. Tskolakids, G. Zonios, S. Meng. Structural model of eumelanin. Physical Review Letters 97, 128102 (2006).
  234. J. Ren and S. Meng. Atomic structure and bonding of water overlayer on Cu(110): the borderline for intact and dissociative adsorption. J. Am. Chem. Soc. 128, 9282 (2006).
  235. S. Meng and S. Gao. Formation and interaction of hydrated alkali metal ions at the graphite-water interface. J. Chem. Phys. 125, 014708 (2006).
  236. Y. Yang, S. Meng, E.G. Wang. Water adsorption on NaCl (001) surface: A density functional theory study. Phys. Rev. B 74, 245409 (2006).
  237. Y. Yang, S. Meng, E.G. Wang. A molecular dynamics study of hydration and dissolution of NaCl nanocrystal in liquid water. J. Phys.: Cond. Matter 18, 10165 (2006).
  238. J. J. Yang, S. Meng, E. G. Wang. Water adsorption on hydroxylated silica surfaces studied using density functional theory. Phys. Rev. B. 71, 035413 (2005).
  239. S. Meng, E. G. Wang, C. Frischkorn, M. Wolf, S. W. Gao. Consistent picture for the wetting structure of water/Ru(0001). Chem. Phys. Lett. 402, 384 (2005).
  240. Y. Yang, S. Meng, L. F. Xu, E. G. Wang, S. W. Gao. Dissolution dynamics of NaCl nanocrystal in liquid water. Phys. Rev. E. 72, 012602 (2005).
  241. S. Meng. Dynamical properties and the proton transfer mechanism in the wetting water layer on Pt(111). Surf. Sci. 575, 300 (2005).
  242. S. Meng, E. G. Wang, S. W. Gao. Pressure-induced phase transition of confined water from ab initio molecular dynamics simulation. J. Phys.: Cond. Matt. 16, 8851 (2004).
  243. S. Meng, D. V. Chakarov, B. Kasemo, S. W. Gao. Two dimensional hydration shells of alkali metal ions at a hydrophobic surface. J. Chem. Phys. 121, 12572 (2004).
  244. J. J. Yang, S. Meng, L. F. Xu, E. G. Wang. Ice tessellation on a hydroxylated silica surface. Physical Review Letters 92, 146102 (2004).
  245. S. Meng, E. G. Wang, S. W. Gao. Water adsorption on metal surfaces: A general picture from density functional theory studies. Phys. Rev. B 69, 195404 (2004).
  246. S. Meng, L. F. Xu, E. G. Wang, S. W. Gao. Vibrational recognition of hydrogen-bonded water networks on a metal surface--Reply. Physical Review Letters 91, 059602 (2003).
  247. X. C. Ma, Q. Q. Shu, S. Meng, W. G. Ma. Image force effects on trapezoidal barrier parameters in meta-insulator-metal tunnel junctions. Thin Solid Films 436, 292 (2003).
  248. S. Meng, E. G. Wang, S. W. Gao. A molecular picture of hydrophilic and hydrophobic interactions from ab initio density functional theory calculations. J. Chem. Phys. (Communications) 119, 7617 (2003).
  249. S. Q. Shi, D. S. Wang, S. Meng, L. Q. Chen, X. J. Huang. First-principles studies of cation-doped spinel LiMn2O4 for lithium ion batteries. Phys. Rev. B 67, 115130 (2003).
  250. Q. Q. Shu, Y. Jiang, S. Meng, G. Lin, W. G. Ma. Exactly solvable model for meta-insulator- metal stepped boundary tunnel junctions. Thin Solid Films 414, 136 (2002).
  251. S. Meng, L. F. Xu, E. G. Wang, S. W. Gao. Vibrational recognition of hydrogen-bonded water networks on a metal surface. Physical Review Letters 89, 176104 (2002).

Books and book chapters

  1. S. Meng, E.G. Wang. Basic Science of Water: Theory and Experiment. Peking University Press, Beijing, 273 pages (2014).
  2. S. Meng. Water overlayers on Cu(110) studied by van der Waals density functional. In "Materials challenges and testing for supply of energy and resources", ed. Bollinghaus et al., Springer-Verlag, Berlin, pp. 67-75 (2012).
  3. Y. Jiao, F. Zhang, and S. Meng. Dye Sensitized Solar Cells Principles and New Design. In "Solar Cells - Dye-sensitized Devices", Ed. L. A. Kosyachenko, Intech Press, ISBN 978-953-307-735-2, pp. 131-148 (2011).
  4. S. Meng, E. Kaxiras. Interaction of DNA with carbon nanotubes: properties and prospects for electronic sequencing. In "Biosensing using nanomaterials", ed. A. Merkoci, John Wiley & Sons, Inc., pp. 67-96 (2009).
  5. S. Meng. Water on surfaces- Insights from first-principles. VDM-Verlag, Saarbrucken, Germany, 59 pages (2008).