Suchergebnisse

Seki, T.; Yu, C.-C.; Yu, X.; Ohto, T.; Sun, S.; Meister, K.; Backus, E. H. G.; Bonn, M.; Nagata, Y.: Decoding the molecular water structure at complex interfaces through surface-specific spectroscopy of the water bending mode. Physical Chemistry Chemical Physics 22 (19), S. 10934 - 10940 (2020)

Tang, F.; Ohto, T.; Sun, S.; Rouxel, J. R.; Imoto, S.; Backus, E. H. G.; Mukamel, S.; Bonn, M.; Nagata, Y.: Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation. Chemical Reviews 120 (8), S. 3633 - 3667 (2020)

Balos, V.; Imoto, S.; Netz, R. R.; Bonn, M.; Bonthuis, D. J.; Nagata, Y.; Hunger, J.: Macroscopic conductivity of aqueous electrolyte solutions scales with ultrafast microscopic ion motions. Nature Communications 11, 1611 (2020)

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 118 (4), 1620358 (2020)

Das, S.; Imoto, S.; Sun, S.; Nagata, Y.; Backus, E. H. G.; Bonn, M.: Nature of Excess Hydrated Proton at the Water–Air Interface. Journal of the American Chemical Society 142 (2), S. 945 - 952 (2020)

Seki, T.; Chiang, K.-Y.; Yu, C.-C.; Yu, X.; Okuno, M.; Hunger, J.; Nagata, Y.; Bonn, M.: The Bending Mode of Water: A Powerful Probe for Hydrogen Bond Structure of Aqueous Systems. The Journal of Physical Chemistry Letters 11 (19), S. 8459 - 8469 (2020)

Yu, C.-C.; Chiang, K.-Y.; Okuno, M.; Seki, T.; Ohto, T.; Yu, X.; Korepanov, V.; Hamaguchi, H.-o.; Bonn, M.; Hunger, J. et al.; Nagata, Y.: Vibrational couplings and energy transfer pathways of water's bending mode. Nature Communications 11 (1), 5977 (2020)

Zhong, K.; Yu, C.-C.; Dodia, M.; Bonn, M.; Nagata, Y.; Ohto, T.: Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction. Physical Chemistry Chemical Physics 22 (22), S. 12785 - 12793 (2020)

Jeong, S.; Hu, K.; Ohto, T.; Nagata, Y.; Masuda, H.; Fujita, J.; Ito, Y.: Effect of Graphene Encapsulation of NiMo Alloys on Oxygen Evolution Reaction. ACS Catalysis 10 (1), S. 792 - 799 (2019)

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 10 (21), S. 6936 - 6941 (2019)

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), S. 4914 - 4919 (2019)

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), 244701 (2019)

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 58 (1), S. 332 - 337 (2019)

Balos, V.; Marekha, B. A.; Malm, C.; Wagner, M.; Nagata, Y.; Bonn, M.; Hunger, J.: Spezifische Ionen‐Effekte am Beispiel eines Oligopeptids: die Rolle zweizähniger Koordination beim Guanidinium‐Kation. Angewandte Chemie 131 (1), S. 338 - 343 (2019)

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), S. 3836 - 3843 (2019)

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), 1900045 (2019)

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), 1900119 (2019)

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), S. 1006 - 1015 (2019)

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), S. 595 - 602 (2019)

Xie, W. J.; Cha, S.; Ohto, T.; Mizukami, W.; Mao, Y.; Wagner, M.; Bonn, M.; Hunger, J.; Nagata, Y.: Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association. Chem 4 (11), S. 2615 - 2627 (2018)