Real-space imaging of interfacial water with submolecular resolution

Nature Materials

Volumn 13, Issue 2, 2014, Pages 184-189

  Guo, Jing ^a,b   Meng, Xiangzhi ^a,b   Chen, Ji ^a,b   Peng, Jinbo ^a,b   Sheng, Jiming ^a,b   Li, Xin Zheng ^a,b   Xu, Limei ^a,b   Shi, Jun Ren ^a,b   Wang, Enge ^a,b   Jiang, Ying ^a,b  

^a PEKING UNIVERSITY   (China)

^b Collaborative Innovation Center of Quantum Matter ^*  (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); AU (111) SUBSTRATES; ELECTRONIC DECOUPLING; FRONTIER MOLECULAR ORBITALS; INTERFACIAL WATER; INTERNAL STRUCTURE; SCIENTIFIC DISCIPLINE; SUB-MOLECULAR RESOLUTION;

CALCULATIONS; IMAGE RECONSTRUCTION; MOLECULAR ORBITALS; MONOMERS; OLIGOMERS;

GOLD;

EID: 84892969147     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: 10.1038/nmat3848     Document Type: Review

References (40)

1. Henderson, M. A. Redox properties of water on the oxidized and reduced surfaces of CeO2(111). Surf. Sci. Rep. 46, 1-308 (2002).
2. Hodgson, A. & Haq, S. Water adsorption and the wetting of metal surfaces. Surf. Sci. Rep. 64, 381-451 (2009).
3. Feibelman, P. J. Partial dissociation of water on Ru(0001). Science 295, 99-102 (2002). (Pubitemid 34052352)
4. Meng, S., Xu, L. F., Wang, E. G. & Gao, S. Vibrational recognition of hydrogen-bonded water networks on a metal surface. Phys. Rev. Lett. 89, 176104 (2002).
5. Carrasco, J., Hodgson, A. & Michaelides, A. A molecular perspective of water at metal interfaces. Nature Mater. 11, 667-674 (2012).
6. Nagasaka, M., Kondoh, H., Amemiya, K., Ohta, T. & Iwasawa, Y. Proton transfer in a two-dimensional hydrogen-bonding network: Water and hydroxyl on a Pt(111) surface. Phys. Rev. Lett. 100, 106101 (2008).
7. Kumagai, T., Okuyama, H., Hatta, S., Aruga, T. & Hamada, I. H-atom relay reactions in real space. Nature Mater. 11, 167-172 (2012).
8. Shen, Y. R. & Ostroverkhov, V. Sum-frequency vibrational spectroscopy on water interfaces: Polar orientation of water molecules at interfaces. Chem. Rev. 106, 1140-1154 (2006).
9. Kimmel, G. A. et al. Polarization- and azimuth-resolved infrared spectroscopy of water on TiO2(110): Anisotropy and the hydrogen-bonding network. J. Phys. Chem. Lett. 3, 778-784 (2012).
10. Repp, J., Meyer, G., Stojkovi¢, S. M., Gourdon, A. & Joachim, C. Molecules on insulating films: Scanning-tunneling microscopy imaging of individual molecular orbitals. Phys. Rev. Lett. 94, 026803 (2005).
11. Mitsui, T., Rose, M. K., Fomin, E., Ogletree, D. F. & Salmeron, M. Water diffusion and clustering on Pd(111). Science 297, 1850-1852 (2002). (Pubitemid 35024339)
12. Morgenstern, K. & Nieminen, J. Intermolecular bond length of ice on Ag(111). Phys. Rev. Lett. 88, 066102 (2002).
13. Cerdá, J. et al. Novel water overlayer growth on Pd(111) characterized with scanning tunneling microscopy and density functional theory. Phys. Rev. Lett. 93, 116101 (2004).
14. Verdaguer, A., Sacha, G. M., Bluhm, H. & Salmeron, M. Molecular structure of water at interfaces: Wetting at the nanometer scale. Chem. Rev. 106, 1478-1510 (2006). (Pubitemid 43676515)
15. Michaelides, A. & Morgenstern, K. Ice nanoclusters at hydrophobic metal surfaces. Nature Mater. 6, 597-601 (2007). (Pubitemid 47197681)
16. Carrasco, J. et al. A one-dimensional ice structure built from pentagons. Nature Mater. 8, 427-431 (2009).
17. He, Y., Tilocca, A., Dulub, O., Selloni, A. & Diebold, U. Local ordering and electronic signatures of submonolayer water on anatase TiO2(101). Nature Mater. 8, 585-589 (2009).
18. Shin, H-J. et al. State-selective dissociation of a single water molecule on an ultrathin MgO film. Nature Mater. 9, 442-447 (2010).
19. Hammer, B., Wendt, S. & Besenbacher, F. Water adsorption on TiO2. Top. Catal. 53, 423-430 (2010).
20. Nie, S., Feibelman, P. J., Bartelt, N. C. & Thürmer, K. Pentagons and heptagons in the first water layer on Pt(111). Phys. Rev. Lett. 105, 026102 (2010).
21. Okuyama, H. & Hamada, I. Hydrogen-bond imaging and engineering with a scanning tunnelling microscope. J. Phys. D 44, 464004 (2011).
22. Allen, H. C., Laux, J. M., Vogt, R., Finlayson-Pitts, B. J. & Hemminger, J. C. Water-induced reorganization of ultrathin nitrate films on NaCl: Implications for the tropospheric chemistry of sea salt particles. J. Phys. Chem. 100, 6371 (1996).
23. Taylor, D. P., Hess, W. P. & McCarthy, M. I. Structure and energetics of the water/NaCl(100) interface. J. Phys. Chem. B 101, 7455-7463 (1997). (Pubitemid 127581190)
24. Liu, L. M., Laio, A. & Michaelides, A. Initial stages of salt crystal dissolution determined with ab initio molecular dynamics. Phys. Chem. Chem. Phys. 13, 13162-13166 (2011).
25. Lauwaet, K. et al. Resolving all atoms of an alkali halide via nanomodulation of the thin NaCl film surface using the Au(111) reconstruction. Phys. Rev. B 85, 245440 (2012).
26. Hebenstreit, W. et al. Atomic resolution by STM on ultra-thin films of alkali halides: Experiment and local density calculations. Surf. Sci. 424, L321-L328 (1999).
27. Cabrera-Sanfelix, P., Arnau, A., Darling, G. R. & Sanchez-Portal, D. Water adsorption and diffusion on NaCl(100). J. Phys. Chem. B 110, 24559-24564 (2006). (Pubitemid 46065759)
28. Yang, Y., Meng, S. & Wang, E. G. Water adsorption on a NaCl(001) surface: A density functional theory study. Phys. Rev. B 74, 245409 (2006).
29. Ho, W. Single-molecule chemistry. J. Chem. Phys. 117, 11033-11061 (2002).
30. Martínez, J. I., Abad, E., González, C., Flores, F. & Ortega, J. Improvement of scanning tunneling microscopy resolution with H-sensitized tips. Phys. Rev. Lett. 108, 246102 (2012).
31. Nørskov, J. K. Chemisorption on metal surfaces. Rep. Prog. Phys. 53, 1253-1295 (1990).
32. Perrin, M. L. et al. Large tunable image-charge effects in single-molecule junctions. Nature Nanotech. 8, 282-287 (2013).
33. Sautet, P. & Joachim, C. Calculation of the benzene on rhodium STM images. Chem. Phys. Lett. 185, 23-30 (1991).
34. Lawton, T. J., Carrasco, J., Baber, A. E., Michaelides, A. & Sykes, E. C. H. Visualization of hydrogen bonding and associated chirality in methanol hexamers. Phys. Rev. Lett. 107, 256101 (2011).
35. Horcas, I. et al. WSXM: A software for scanning probe microscopy and a tool for nanotechnology. Rev. Sci. Instrum. 78, 013705 (2007).
36. Klime, J., Bowler, D. R. & Michaelides, A. Van der Waals density functionals applied to solids. Phys. Rev. B 83, 195131 (2011).
37. Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558-561 (1993).
38. Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio totalenergy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169-11186 (1996).
39. Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775 (1999).
40. Jonsson, H. et al. Classical and Quantum Dynamics in Condensed Phase Simulations Ch. 8 (World Scientific, 1998).