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Journal Article (61)

  1. 1.
    Journal Article
    Seki, T.; Sun, S.; Zhong, K.; Yu, C.-C.; Machel, K.; Dreier, L. B.; Backus, E. H. G.; Bonn, M.; Nagata, Y.: Unveiling Heterogeneity of Interfacial Water through the Water Bending Mode. The Journal of Physical Chemistry Letters 2019 (10) (2019)
  2. 2.
    Journal Article
    Ohto, T.; Dodia, M.; Xu, J.; Imoto, S.; Tang, F.; Zysk, F.; Kühne, T. D.; Shigeta, Y.; Bonn, M.; Wu, X. et al.; Nagata, Y.: Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water–Air Interface. The Journal of Physical Chemistry Letters 10 (17) (2019)
  3. 3.
    Journal Article
    Melani, G.; Nagata, Y.; Campen, R. K.; Saalfrank, P.: Vibrational spectra of dissociatively adsorbed D2O on Al-terminated α-Al2O3(0001) surfaces from ab initio molecular dynamics. The Journal of Chemical Physics 150 (24) (2019)
  4. 4.
    Journal Article
    Balos, V.; Marekha, B. A.; Malm, C.; Wagner, M.; Nagata, Y.; Bonn, M.; Hunger, J.: Specific Ion Effects on an Oligopeptide: Bidentate binding matters for the Guanidinium Cation. Angewandte Chemie International Edition in English 58 (1), pp. 332 - 337 (2019)
  5. 5.
    Journal Article
    Dodia, M.; Ohto, T.; Imoto, S.; Nagata, Y.: Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections. Journal of Chemical Theory and Computation 15 (6), pp. 3836 - 3843 (2019)
  6. 6.
    Journal Article
    Ito, Y.; Habata, Y.; Kuramochi, H.; Kusuda, E.; Hu, K.; Masuda , H.; Fujita, J.; Nagata, Y.; Watanabe, M. M.; Isdepsky, A.: Damage-Free Solar Dewatering of Micro-Algal Concentrates via Multifunctional Hierarchical Porous Graphene. Advanced Sustainable Systems 3 (9) (2019)
  7. 7.
    Journal Article
    Kaliannan, N. K.; Henao Aristizabal, A.; Wiebeler, H.; Ohto, T.; Nagata, Y.; Kühne, T. D.: Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface. Molecular Physics (2019)
  8. 8.
    Journal Article
    Kumatani, A.; Miura, C.; Kuramochi, H.; Ohto, T.; Wakisaka, M.; Nagata, Y.; Ida, H.; Takahashi, Y.; Hu, K.; Jeong, S. et al.; Fujita, J.; Matsue, T.; Ito, Y.: Chemical Dopants on Edge of Holey Graphene Accelerate Electrochemical Hydrogen Evolution Reaction. Advanced Science 6 (10) (2019)
  9. 9.
    Journal Article
    Nagata, Y.; Hama, , T.; Backus, E. H. G.; Mezger, M.; Bonn, D.; Bonn, M.; Sazaki, G.: The Surface of Ice under Equilibrium and Nonequilibrium Conditions. Accounts of Chemical Research 52 (4), pp. 1006 - 1015 (2019)
  10. 10.
    Journal Article
    Ohto, T.; Dodia, M.; Imoto, S.; Nagata, Y.: Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation. Journal of Chemical Theory and Computation 15 (1), pp. 595 - 602 (2019)
  11. 11.
    Journal Article
    Backus, E. H. G.; Cyran, J. D.; Grechko, M.; Nagata, Y.; Bonn, M.: Time-Resolved Sum Frequency Generation Spectroscopy: A Quantitative Comparison Between Intensity and Phase-Resolved Spectroscopy. The Journal of Physical Chemistry A 122 (9), pp. 2401 - 2410 (2018)
  12. 12.
    Journal Article
    Cyran, J. D.; Backus, E. H. G.; Nagata, Y.; Bonn, M.: Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity. The Journal of Physical Chemistry B 122 (14), pp. 3667 - 3679 (2018)
  13. 13.
    Journal Article
    Dreier, L. B.; Nagata, Y.; Lutz, H.; Gonella, G.; Hunger, J.; Backus, E. H. G.; Bonn, M.: Saturation of charge-induced water alignment at model membrane surfaces. Science Advances 4 (3), eaap7415 (2018)
  14. 14.
    Journal Article
    Grechko, M.; Hasegawa, T.; D'Angelo, F.; Ito, H.; Turchinovich, D.; Nagata, Y.; Bonn, M.: Coupling between intra- and intermolecular motions in liquid water revealed by two-dimensional terahertz-infrared-visible spectroscopy. Nature Communications 9, 885 (2018)
  15. 15.
    Journal Article
    Hu, K. L.; Ohto, T.; Chen, L. H.; Han, J. H.; Wakisaka, M.; Nagata, Y.; Fujita, J.; Ito, Y.: Graphene Layer Encapsulation of Non-Noble Metal Nanoparticles as Acid-Stable Hydrogen Evolution Catalysts. ACS Energy Letters 3 (7), pp. 1539 - 1544 (2018)
  16. 16.
    Journal Article
    Ito, Y.; Ohto, T.; Hojo, D.; Wakisaka, M.; Nagata, Y.; Chen, L. H.; Hu, K. L.; Izumi, M.; Fujita, J.; Adschiri, T.: Cooperation between holey graphene and NiMo alloy for hydrogen evolution in an acidic electrolyte. ACS Catalysis 8 (4), pp. 3579 - 3586 (2018)
  17. 17.
    Journal Article
    Melani, G.; Nagata, Y.; Wirth, J.; Saalfrank, P.: Vibrational spectroscopy of hydroxylated alpha-Al2O3(0001) surfaces with and without water: An ab initio molecular dynamics study. The Journal of Chemical Physics 149 (1), 014707 (2018)
  18. 18.
    Journal Article
    Nagata, Y.; Mukamel, S.: Electrical Double Layer Probed by Surface-Specific Vibrational Technique. Chem 4 (7), pp. 1484 - 1485 (2018)
  19. 19.
    Journal Article
    Ohto, T.; Tada, H.; Nagata, Y.: Structure and dynamics of water at water-graphene and water-hexagonal boron-nitride sheet interfaces revealed by ab initio sum-frequency generation spectroscopy. Physical Chemistry Chemical Physics 20 (18), pp. 12979 - 12985 (2018)
  20. 20.
    Journal Article
    Sun, S.; Tang, F.; Imoto, S.; Moberg, D. R.; Ohto, T.; Paesani, F.; Bonn, M.; Backus, E. H. G.; Nagata, Y.: Orientational Distribution of Free O-H Groups of Interfacial Water is Exponential. Physical Review Letters 121 (24), 246101 (2018)
 
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