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Slater, B. & Michaelides, A. Surface premelting of water ice. Nat. Rev. Chem. 3, 172–188 (2019).
Jia, Z. C., DeLuca, C. I., Chao, H. M. & Davies, P. L. Structural basis for the binding of a globular antifreeze protein to ice. Nature 384, 285–288 (1996).
Matsumoto, M., Saito, S. & Ohmine, I. Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing. Nature 416, 409–413 (2002).
Canale, L. et al. Nanorheology of interfacial water during ice gliding. Phys. Rev. X 9, 041025 (2019).
Devlin, J. P., Uras, N., Sadlej, J. & Buch, V. Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles. Nature 417, 269–271 (2002).
Huthwelker, T., Ammann, M. & Peter, T. The uptake of acidic gases on ice. Chem. Rev. 106, 1375–1444 (2006).
Molina, M. J., Tso, T. L., Molina, L. T. & Wang, F. C. Y. Antarctic stratospheric chemistry of chlorine nitrate, hydrogen-chloride and ice release of active chlorine. Science 238, 1253–1257 (1987).
Hama, T. & Watanabe, N. Surface processes on interstellar amorphous solid water: adsorption, diffusion, tunneling reactions, and nuclear-spin conversion. Chem. Rev. 113, 8783–8839 (2013).
Kiselev, A. et al. Active sites in heterogeneous ice nucleation-the example of K-rich feldspars. Science 355, 367–371 (2017).
Moore, E. B. & Molinero, V. Structural transformation in supercooled water controls the crystallization rate of ice. Nature 479, 506–508 (2011).
Braun, J., Glebov, A., Graham, A. P., Menzel, A. & Toennies, J. P. Structure and phonons of the ice surface. Phys. Rev. Lett. 80, 2638–2641 (1998).
Wei, X., Miranda, P. B. & Shen, Y. R. Surface vibrational spectroscopic study of surface melting of ice. Phys. Rev. Lett. 86, 1554–1557 (2001).
Mehlhorn, M. & Morgenstern, K. Faceting during the transformation of amorphous to crystalline ice. Phys. Rev. Lett. 99, 246101 (2007).
Buch, V., Groenzin, H., Lit, I., Shultz, M. J. & Tosatti, E. Proton order in the ice crystal surface. Proc. Natl Acad. Sci. USA 105, 5969–5974 (2008).
Watkins, M. et al. Large variation of vacancy formation energies in the surface of crystalline ice. Nat. Mater. 10, 794–798 (2011).
Asakawa, H., Sazaki, G., Nagashima, K., Nakatsubo, S. & Furukawa, Y. Two types of quasi-liquid layers on ice crystals are formed kinetically. Proc. Natl Acad. Sci. USA 113, 1749–1753 (2016).
Kawakami, N., Iwata, K., Shiotari, A. & Sugimoto, Y. Intrinsic reconstruction of ice-I surfaces. Sci. Adv. 6, eabb7986 (2020).
Materer, N. et al. Molecular surface structure of a low-temperature ice Ih(0001) crystal. J. Phys. Chem. 99, 6267–6269 (1995).
Hobbs, P. V. Ice Physics (OUP, 2010).
Huang, X. et al. Tracking cubic ice at molecular resolution. Nature 617, 86–91 (2023).
Rosu-Finsen, A. et al. Medium-density amorphous ice. Science 379, 474–478 (2023).
Glebov, A., Graham, A. P., Menzel, A., Toennies, J. P. & Senet, P. A helium atom scattering study of the structure and phonon dynamics of the ice surface. J. Chem. Phys. 112, 11011–11022 (2000).
Nordlund, D. et al. Surface structure of thin ice films. Chem. Phys. Lett. 395, 161–165 (2004).
Sánchez, M. A. et al. Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice. Proc. Natl Acad. Sci. USA 114, 227–232 (2016).
Sugimoto, T. et al. Topologically disordered mesophase at the topmost surface layer of crystalline ice between 120 and 200 K. Phys. Rev. B 99, 121402 (2019).
Smit, W. J. et al. Excess hydrogen bond at the ice-vapor interface around 200 K. Phys. Rev. Lett. 119, 133003 (2017).
Nojima, Y., Suzuki, Y., Takahashi, M. & Yamaguchi, S. Proton order toward the surface of ice Ih revealed by heterodyne-detected sum frequency generation spectroscopy. J. Phys. Chem. Lett. 8, 5031–5034 (2017).
Thürmer, K. & Bartelt, N. C. Growth of multilayer ice films and the formation of cubic ice imaged with STM. Phys. Rev. B 77, 195425 (2008).
Maier, S., Lechner, B. A. J., Somorjai, G. A. & Salmeron, M. Growth and structure of the first layers of ice on Ru(0001) and Pt(111). J. Am. Chem. Soc. 138, 3145–3151 (2016).
Thürmer, K. & Nie, S. Formation of hexagonal and cubic ice during low-temperature growth. Proc. Natl Acad. Sci. USA 110, 11757–11762 (2013).
Fletcher, N. H. Reconstruction of ice crystal surfaces at low temperatures. Phil. Mag. B 66, 109–115 (1992).
Giessibl, F. J. Advances in atomic force microscopy. Rev. Mod. Phys. 75, 949–983 (2003).
Gross, L., Mohn, F., Moll, N., Liljeroth, P. & Meyer, G. The chemical structure of a molecule resolved by atomic force microscopy. Science 325, 1110–1114 (2009).
Peng, J. et al. Weakly perturbative imaging of interfacial water with submolecular resolution by atomic force microscopy. Nat. Commun. 9, 122 (2018).
Shiotari, A. & Sugimoto, Y. Ultrahigh-resolution imaging of water networks by atomic force microscopy. Nat. Commun. 8, 14313 (2017).
Meier, M. et al. Water agglomerates on Fe3O4(001). Proc. Natl Acad. Sci. USA 115, E5642–E5650 (2018).
Ma, R. et al. Atomic imaging of the edge structure and growth of a two-dimensional hexagonal ice. Nature 577, 60–63 (2020).
Malkin, T. L., Murray, B. J., Brukhno, A. V., Anwar, J. & Salzmann, C. G. Structure of ice crystallized from supercooled water. Proc. Natl Acad. Sci. USA 109, 1041–1045 (2012).
Pan, D. et al. Surface energy and surface proton order of ice Ih. Phys. Rev. Lett. 101, 155703 (2008).
Binnig, G., Rohrer, H., Gerber, C. & Weibel, E. 7 × 7 reconstruction on Si(111) resolved in real space. Phys. Rev. Lett. 50, 120–123 (1983).
Cerveny, S., Mallamace, F., Swenson, J., Vogel, M. & Xu, L. Confined water as model of supercooled water. Chem. Rev. 116, 7608–7625 (2016).
Horcas, I. et al. WSXM: a software for scanning probe microscopy and a tool for nanotechnology. Rev. Sci. Instrum. 78, 013705 (2007).
Kresse, G. & Hafner, J. Ab initiomolecular dynamics for liquid metals. Phys. Rev. B 47, 558–561 (1993).
Kresse, G. & Furthmuller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996).
Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758–1775 (1999).
Klimeš, J., Bowler, D. R. & Michaelides, A. Chemical accuracy for the van der Waals density functional. J. Phys. Condens. Matter 22, 022201 (2010).
Klimeš, J., Bowler, D. R. & Michaelides, A. Van der Waals density functionals applied to solids. Phys. Rev. B 83, 195131 (2011).
Hapala, P. et al. Mechanism of high-resolution STM/AFM imaging with functionalized tips. Phys. Rev. B 90, 085421 (2014).
Hapala, P., Temirov, R., Tautz, F. S. & Jelínek, P. Origin of high-resolution IETS-STM images of organic molecules with functionalized tips. Phys. Rev. Lett. 113, 226101 (2014).
Molinero, V. & Moore, E. B. Water modeled as an intermediate element between carbon and silicon. J. Phys. Chem. B 113, 4008–4016 (2009).
Plimpton, S. Fast parallel algorithms for short-range molecular-dynamics. J. Comput. Phys. 117, 1–19 (1995).
Abascal, J. L. F., Sanz, E., García Fernández, R. & Vega, C. A potential model for the study of ices and amorphous water: TIP4P/Ice. J. Chem. Phys. 122, 234511 (2005).
Reddy, S. K. et al. On the accuracy of the MB-pol many-body potential for water: interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice. J. Chem. Phys. 145, 194504 (2016).
Cisneros, G. A. et al. Modeling molecular interactions in water: from pairwise to many-body potential energy functions. Chem. Rev. 116, 7501–7528 (2016).
Bore, S. L. & Paesani, F. Realistic phase diagram of water from “first principles” data-driven quantum simulations. Nat. Commun. 14, 3349 (2023).
Torres, E. & DiLabio, G. A. A density functional theory study of the reconstruction of gold (111) surfaces. J. Phys. Chem. C 118, 15624–15629 (2014).
Materer, N. et al. Molecular surface structure of ice(0001): Dynamical low-energy electron diffraction, total-energy calculations and molecular dynamics simulations. Surf. Sci.381, 190–210 (1997).
Smit, W. J. et al. Observation and identification of a new OH stretch vibrational band at the surface of ice. J. Phys. Chem. Lett. 8, 3656–3660 (2017).
Nojima, Y., Shioya, Y., Torii, H. & Yamaguchi, S. Hydrogen order at the surface of ice Ih revealed by vibrational spectroscopy. Chem. Commun. 56, 4563–4566 (2020).
Hong, J. et al. Imaging surface structure and premelting of ice Ih with atomic resolution. Zenodo https://doi.org/10.5281/zenodo.10827370 (2024).
Nguyen, A. H. & Molinero, V. Identification of clathrate hydrates, hexagonal ice, cubic ice, and liquid water in simulations: the CHILL+ algorithm. J. Phys. Chem. B 119, 9369–9376 (2014).
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