Taifan, W., Boily, J. & Baltrusaitis, J. Surface chemistry of carbon dioxide revisited. Surf. Sci. Rep. 71, 595–671 (2016).

Article  CAS  Google Scholar 

Nong, H. N. et al. Key role of chemistry versus bias in electrocatalytic oxygen evolution. Nature 587, 408–413 (2020).

Article  PubMed  CAS  Google Scholar 

Gonella, G. et al. Water at charged interfaces. Nat. Rev. Chem. 5, 466–485 (2021).

Article  PubMed  CAS  Google Scholar 

Bañuelos, J. L. et al. Oxide– and silicate–water interfaces and their roles in technology and the environment. Chem. Rev. 123, 6413–6544 (2023).

Article  PubMed  Google Scholar 

Geiger, F. M. Second harmonic generation, sum frequency generation, and χ(3): dissecting environmental interfaces with a nonlinear optical Swiss Army knife. Annu. Rev. Phys. Chem. 60, 61–83 (2009).

Article  PubMed  CAS  Google Scholar 

Covert, P. A. & Hore, D. K. Geochemical insight from nonlinear optical studies of mineral-water interfaces. Annu. Rev. Phys. Chem. 67, 233–257 (2016).

Article  PubMed  CAS  Google Scholar 

Ong, S., Zhao, X. & Eisenthal, K. B. Polarization of water molecules at a charged interface: second harmonic studies of the silica/water interface. Chem. Phys. Lett. 191, 327–335 (1992).

Article  CAS  Google Scholar 

Du, Q., Freysz, E. & Shen, Y. R. Vibrational spectra of water molecules at quartz/water interfaces. Phys. Rev. Lett. 72, 238–241 (1994).

Article  PubMed  CAS  Google Scholar 

Rimola, A., Costa, D., Sodupe, M., Lambert, J. & Ugliengo, P. Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments. Chem. Rev. 113, 4216–4313 (2012).

Article  Google Scholar 

Kubicki, J. D. Molecular Modeling of Geochemical Reactions: An Introduction (Wiley, 2016).

Backus, E. H. G., Schaefer, J. & Bonn, M. Probing the mineral–water interface with nonlinear optical spectroscopy. Angew. Chem. Int. Ed. 60, 10482–10501 (2020).

Article  Google Scholar 

Ostroverkhov, V., Waychunas, G. A. & Shen, Y. R. New information on water interfacial structure revealed by phase-sensitive surface spectroscopy. Phys. Rev. Lett. 94, 046102 (2005).

Article  PubMed  Google Scholar 

McGuire, J. A. & Shen, Y. R. Ultrafast vibrational dynamics at water interfaces. Science 313, 1945–1948 (2006).

Article  PubMed  CAS  Google Scholar 

Lis, D., Backus, E. H. G., Hunger, J., Parekh, S. H. & Bonn, M. Liquid flow along a solid surface reversibly alters interfacial chemistry. Science 344, 1138–1142 (2014).

Article  PubMed  CAS  Google Scholar 

Liu, W. & Shen, Y. R. Surface vibrational modes of alpha-quartz(0001) probed by sum-frequency spectroscopy. Phys. Rev. Lett. 101, 016101 (2008).

Article  PubMed  Google Scholar 

Tong, Y. et al. Optically probing Al–O and O–H vibrations to characterize water adsorption and surface reconstruction on alpha-alumina: an experimental and theoretical study. J. Chem. Phys. 142, 054704 (2015).

Article  PubMed  Google Scholar 

Cao, Y. et al. Evolution of anatase surface active sites probed by in situ sum-frequency phonon spectroscopy. Sci. Adv. 2, e1601162 (2016).

Article  PubMed  PubMed Central  Google Scholar 

Leung, K., Nielsen, I. M. B. & Criscenti, L. J. Elucidating the bimodal acid-base behavior of the water–silica interface from first principles. J. Am. Chem. Soc. 131, 18358–18365 (2009).

Article  PubMed  CAS  Google Scholar 

Flores, S. C., Kherb, J., Konelick, N., Chen, X. & Cremer, P. S. The effects of Hofmeister cations at negatively charged hydrophilic surfaces. J. Phys. Chem. C 116, 5730–5734 (2012).

Article  CAS  Google Scholar 

Pfeiffer-Laplaud, M., Costa, D., Tielens, F., Gaigeot, M. & Sulpizi, M. Bimodal acidity at the amorphous silica/water interface. J. Phys. Chem. C 119, 27354–27362 (2015).

Article  CAS  Google Scholar 

Dalstein, L., Potapova, E. & Tyrode, E. The elusive silica/water interface: isolated silanols under water as revealed by vibrational sum frequency spectroscopy. Phys. Chem. Chem. Phys. 19, 10343–10349 (2017).

Article  PubMed  CAS  Google Scholar 

Cyran, J. D. et al. Molecular hydrophobicity at a macroscopically hydrophilic surface. Proc. Natl Acad. Sci. USA 116, 1520–1525 (2019).

Article  PubMed  PubMed Central  CAS  Google Scholar 

Tuladhar, A. et al. Ions tune interfacial water structure and modulate hydrophobic interactions at silica surfaces. J. Am. Chem. Soc. 142, 6991–7000 (2020).

Article  PubMed  CAS  Google Scholar 

Wang, H., Hu, X. & Wang, H. Charge-induced χ(3) susceptibility in interfacial nonlinear optical spectroscopy beyond the bulk aqueous contributions: the case for silica/water interface. J. Phys. Chem. C 125, 26208–26215 (2021).

Article  CAS  Google Scholar 

Rehl, B. et al. Water structure in the electrical double layer and the contributions to the total interfacial potential at different surface charge densities. J. Am. Chem. Soc. 144, 16338–16349 (2022).

Article  PubMed  CAS  Google Scholar 

Wei, F., Urashima, S., Nihonyanagi, S. & Tahara, T. Elucidation of the pH-dependent electric double layer structure at the silica/water interface using heterodyne-detected vibrational sum frequency generation spectroscopy. J. Am. Chem. Soc. 145, 8833–8846 (2023).

Article  PubMed  PubMed Central  CAS  Google Scholar 

Shi, H., Zhang, Y., Wang, H. & Liu, W. Matrix formalism for radiating polarization sheets in multilayer structures of arbitrary composition. Chin. Opt. Lett. 15, 081901 (2017).

Article  Google Scholar 

Lagström, T., Gmür, T. A., Quaroni, L., Goel, A. & Brown, M. A. Surface vibrational structure of colloidal silica and its direct correlation with surface charge density. Langmuir 31, 3621–3626 (2015).

Article  PubMed  Google Scholar 

Warring, S. L., Beattie, D. A. & McQuillan, A. J. Surficial siloxane-to-silanol interconversion during room-temperature hydration/dehydration of amorphous silica films observed by ATR-IR and TIR-Raman spectroscopy. Langmuir 32, 1568–1576 (2016).

Article  PubMed  CAS  Google Scholar 

Shi, Y., Ye, M., Du, L. & Weng, Y. Experimental determination of particle size-dependent surface charge density for silica nanospheres. J. Phys. Chem. C 122, 23764–23771 (2018).

Article  CAS  Google Scholar 

Ugliengo, P. et al. Realistic models of hydroxylated amorphous silica surfaces and MCM-41 mesoporous material simulated by large-scale periodic B3LYP calculations. Adv. Mater. 20, 4579–4583 (2008).

Article  CAS  Google Scholar 

Sprik, M. Computation of the pK of liquid water using coordination constraints. Chem. Phys. 258, 139–150 (2000).

Article  CAS  Google Scholar 

Macias-Romero, C., Nahalka, I., Okur, H. I. & Roke, S. Optical imaging of surface chemistry and dynamics in confinement. Science 357, 784–788 (2017).

Article  PubMed  CAS  Google Scholar 

Stebbins, J. F. NMR evidence for five-coordinated silicon in a silicate glass at atmospheric pressure. Nature 351, 638–639 (1991).

Article  CAS  Google Scholar 

Farnan, I. & Stebbins, J. F. The nature of the glass transition in a silica-rich oxide melt. Science 265, 1206–1209 (1994).

Article  PubMed  CAS