Surface structure of water from soft X-ray second harmonic generation

Hoffman, David J.; Devlin, Shane W.; Garratt, Douglas; Jamnuch, Sasawat; Spies, Jacob A.; Nebgen, Bailey R.; Schacher, Daniel; Do, Alexandria; Bernal, Franky; Riffe, Erika J.; Kunnus, Kristjan; Hampton, Christina Y.; Duris, Joseph; Cesar, David; Sudar, Nicholas; Dakovski, Georgi L.; Drisdell, Walter S.; Lawler, Keith V.; Marinelli, Agostino; Zuerch, Michael W.; Saykally, Richard J.; Schwartz, Craig P.; Pascal, Tod A.; Koralek, Jake D.

doi:10.1038/s41467-025-65514-4

Surface structure of water from soft X-ray second harmonic generation

Journal Article · Wed Nov 26 00:00:00 EST 2025 · Nature Communications

DOI:https://doi.org/10.1038/s41467-025-65514-4· OSTI ID:3024436

^[1]; Devlin, Shane W. ^[2]; ^[1]; Jamnuch, Sasawat ^[3]; Spies, Jacob A. ^[4]; ^[4]; ^[5]; Do, Alexandria ^[6]; ^[4]; ^[4]; Kunnus, Kristjan ^[1]; Hampton, Christina Y. ^[1]; ^[1]; Cesar, David ^[1]; Sudar, Nicholas ^[1]; Dakovski, Georgi L. ^[1]; ^[7]; ^[5]; ^[1]; ^[4] more »

SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Univ. of Nevada, Las Vegas, NV (United States)
Theiss Research, La Jolla, CA (United States); National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Univ. of Nevada, Las Vegas, NV (United States)
Univ. of California, San Diego, La Jolla, CA (United States)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

The microscopic structure of water’s surface is crucial to many natural and industrial processes, but studying its hydrogen bond (H-bond) network directly remains challenging due to the required interfacial sensitivity of experimental techniques. By leveraging advances in flat liquid sheet microjets and terawatt-scale attosecond soft X-ray pulses from the LCLS X-ray free electron laser, we employed soft X-ray second harmonic generation (SXSHG) spectroscopy to examine the liquid water/vapor interface. SXSHG combines the elemental selectivity of X-ray spectroscopies with the surface selectivity of SHG and gives access to the electronic structure of interfacial species. Here, we show the SXSHG spectrum differs from bulk water’s X-ray absorption, with its peak shifted several eV, indicating a vastly different electronic environment at the interface as compared to the bulk. First-principles electronic structure calculations show the signal is highly sensitive to H-bond interactions, such as water molecules accepting a single H-bond, which are surface abundant.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); University of California, Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: AC02-05CH11231; AC02-76SF00515; SC0023503; SC0024123

Other Award/Contract Number:: DMR190106
PHY210131
2138259
2138286
2138307
2137603
2138296
M21PL3263
DGE 1752814

OSTI ID:: 3024436

Alternate ID(s):: OSTI ID: 3020295

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 16; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

References (90)

Investigation of the Second Harmonic Generation at the Water–Vacuum Interface by Using Multi‐Scale Modeling Methods Ramos, Tárcius N.; Champagne, Benoît ChemistryOpen, Vol. 12, Issue 1 https://doi.org/10.1002/open.202200045	journal	August 2022
X-Ray Interactions: Photoabsorption, Scattering, Transmission, and Reflection at E = 50-30,000 eV, Z = 1-92 Henke, B. L.; Gullikson, E. M.; Davis, J. C. Atomic Data and Nuclear Data Tables, Vol. 54, Issue 2, p. 181-342 https://doi.org/10.1006/adnd.1993.1013	journal	July 1993
A molecular beam study of the evaporation of water from a liquid jet Faubel, M.; Schlemmer, S.; Toennies, J. P. Zeitschrift f�r Physik D Atoms, Molecules and Clusters, Vol. 10, Issue 2-3 https://doi.org/10.1007/BF01384861	journal	June 1988
THz reflection spectroscopy of liquid water Thrane, L.; Jacobsen, R. H.; Uhd Jepsen, P. Chemical Physics Letters, Vol. 240, Issue 4 https://doi.org/10.1016/0009-2614(95)00543-D	journal	June 1995
The interpretation of X-ray absorption spectra of water and ice Cavalleri, M.; Ogasawara, H.; Pettersson, L. G. M. Chemical Physics Letters, Vol. 364, Issue 3-4 https://doi.org/10.1016/S0009-2614(02)00890-4	journal	October 2002
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set Pemmaraju, C. D.; Vila, F. D.; Kas, J. J. Computer Physics Communications, Vol. 226 https://doi.org/10.1016/j.cpc.2018.01.013	journal	May 2018
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales Thompson, Aidan P.; Aktulga, H. Metin; Berger, Richard Computer Physics Communications, Vol. 271 https://doi.org/10.1016/j.cpc.2021.108171	journal	February 2022
Calculation of the electronic spectra of molecules in solution and on surfaces Besley, Nicholas A. Chemical Physics Letters, Vol. 390, Issue 1-3 https://doi.org/10.1016/j.cplett.2004.04.004	journal	May 2004
X-ray and Electron Spectroscopy of Water Fransson, Thomas; Harada, Yoshihisa; Kosugi, Nobuhiro Chemical Reviews, Vol. 116, Issue 13 https://doi.org/10.1021/acs.chemrev.5b00672	journal	April 2016
Water at Interfaces Björneholm, Olle; Hansen, Martin H.; Hodgson, Andrew Chemical Reviews, Vol. 116, Issue 13 https://doi.org/10.1021/acs.chemrev.6b00045	journal	April 2016
Ultrafast Dynamics at Water Interfaces Studied by Vibrational Sum Frequency Generation Spectroscopy Nihonyanagi, Satoshi; Yamaguchi, Shoichi; Tahara, Tahei Chemical Reviews, Vol. 117, Issue 16 https://doi.org/10.1021/acs.chemrev.6b00728	journal	April 2017
Water Dynamics in the Hydration Shells of Biomolecules Laage, Damien; Elsaesser, Thomas; Hynes, James T. Chemical Reviews, Vol. 117, Issue 16 https://doi.org/10.1021/acs.chemrev.6b00765	journal	March 2017
Soft X-ray Absorption Spectroscopy of Liquids and Solutions Smith, Jacob W.; Saykally, Richard J. Chemical Reviews, Vol. 117, Issue 23 https://doi.org/10.1021/acs.chemrev.7b00213	journal	June 2017
MB-pol(2023): Sub-chemical Accuracy for Water Simulations from the Gas to the Liquid Phase Zhu, Xuanyu; Riera, Marc; Bull-Vulpe, Ethan F. Journal of Chemical Theory and Computation, Vol. 19, Issue 12 https://doi.org/10.1021/acs.jctc.3c00326	journal	May 2023
Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Q_a^t Diagnostic do Monte, Silmar A.; Spada, Rene F. K.; Alves, Rodolpho L. R. The Journal of Physical Chemistry A, Vol. 127, Issue 46, p. 9842-9852 https://doi.org/10.1021/acs.jpca.3c05559	journal	October 2023
Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model Gartner, Thomas E.; Hunter, Kelly M.; Lambros, Eleftherios The Journal of Physical Chemistry Letters, Vol. 13, Issue 16 https://doi.org/10.1021/acs.jpclett.2c00567	journal	April 2022
Active States During the Reduction of CO₂ by a MoS₂ Electrocatalyst Kumar, Khagesh; Jamnuch, Sasawat; Majidi, Leily The Journal of Physical Chemistry Letters, Vol. 14, Issue 13 https://doi.org/10.1021/acs.jpclett.2c03942	journal	March 2023
Direct Quantification of Water Surface Charge by Phase-Sensitive Second Harmonic Spectroscopy Dalstein, Laetitia; Chiang, Kuo-Yang; Wen, Yu-Chieh The Journal of Physical Chemistry Letters, Vol. 10, Issue 17 https://doi.org/10.1021/acs.jpclett.9b02156	journal	August 2019
Liquid Heterostructures: Generation of Liquid–Liquid Interfaces in Free-Flowing Liquid Sheets Hoffman, David J.; Bechtel, Hans A.; Huyke, Diego A. Langmuir, Vol. 38, Issue 42 https://doi.org/10.1021/acs.langmuir.2c01724	journal	October 2022
Extreme Ultraviolet Second Harmonic Generation Spectroscopy in a Polar Metal Berger, Emma; Jamnuch, Sasawat; Uzundal, Can B. Nano Letters, Vol. 21, Issue 14 https://doi.org/10.1021/acs.nanolett.1c01502	journal	July 2021
Liquid Sulfur Impregnation of Microporous Carbon Accelerated by Nanoscale Interfacial Effects Pascal, Tod A.; Villaluenga, Irune; Wujcik, Kevin H. Nano Letters, Vol. 17, Issue 4 https://doi.org/10.1021/acs.nanolett.7b00249	journal	March 2017
Photoemission from Liquid Aqueous Solutions Winter, Bernd; Faubel, Manfred Chemical Reviews, Vol. 106, Issue 4 https://doi.org/10.1021/cr040381p	journal	April 2006
Water as an Active Constituent in Cell Biology Ball, Philip Chemical Reviews, Vol. 108, Issue 1 https://doi.org/10.1021/cr068037a	journal	January 2008
Organic Synthesis “On Water” Chanda, Arani; Fokin, Valery V. Chemical Reviews, Vol. 109, Issue 2 https://doi.org/10.1021/cr800448q	journal	February 2009
Dissecting the Molecular Structure of the Air/Water Interface from Quantum Simulations of the Sum-Frequency Generation Spectrum Medders, Gregory R.; Paesani, Francesco Journal of the American Chemical Society, Vol. 138, Issue 11 https://doi.org/10.1021/jacs.6b00893	journal	March 2016
Instantaneous Liquid Interfaces Willard, Adam P.; Chandler, David The Journal of Physical Chemistry B, Vol. 114, Issue 5 https://doi.org/10.1021/jp909219k	journal	February 2010
Structure of PAMAM Dendrimers: Generations 1 through 11 Maiti, Prabal K.; Çaǧın, Tahir; Wang, Guofeng Macromolecules, Vol. 37, Issue 16 https://doi.org/10.1021/ma035629b	journal	August 2004
Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water Kühne, Thomas D.; Khaliullin, Rustam Z. Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms2459	journal	February 2013
Generation and characterization of ultrathin free-flowing liquid sheets Koralek, Jake D.; Kim, Jongjin B.; Brůža, Petr Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-03696-w	journal	April 2018
Realistic phase diagram of water from “first principles” data-driven quantum simulations Bore, Sigbjørn Løland; Paesani, Francesco Nature Communications, Vol. 14, Issue 1 https://doi.org/10.1038/s41467-023-38855-1	journal	June 2023
Surface stratification determines the interfacial water structure of simple electrolyte solutions Litman, Yair; Chiang, Kuo-Yang; Seki, Takakazu Nature Chemistry, Vol. 16, Issue 4, p. 644-650 https://doi.org/10.1038/s41557-023-01416-6	journal	January 2024
Probing lithium mobility at a solid electrolyte surface Woodahl, Clarisse; Jamnuch, Sasawat; Amado, Angelique Nature Materials, Vol. 22, Issue 7 https://doi.org/10.1038/s41563-023-01535-y	journal	April 2023
Tunable isolated attosecond X-ray pulses with gigawatt peak power from a free-electron laser Duris, Joseph; Li, Siqi; Driver, Taran Nature Photonics https://doi.org/10.1038/s41566-019-0549-5	journal	December 2019
Terawatt-scale attosecond X-ray pulses from a cascaded superradiant free-electron laser Franz, Paris; Li, Siqi; Driver, Taran Nature Photonics, Vol. 18, Issue 7 https://doi.org/10.1038/s41566-024-01427-w	journal	May 2024
Emerging ultrafast techniques for studying quantum materials Zong, Alfred; Nebgen, Bailey R.; Lin, Sheng-Chih Nature Reviews Materials, Vol. 8, Issue 4 https://doi.org/10.1038/s41578-022-00530-0	journal	February 2023
Water structure and electric fields at the interface of oil droplets Shi, Lixue; LaCour, R. Allen; Qian, Naixin Nature, Vol. 640, Issue 8057 https://doi.org/10.1038/s41586-025-08702-y	journal	March 2025
Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics Pascal, Tod A.; Lin, Shiang-Tai; Goddard III, William A. Phys. Chem. Chem. Phys., Vol. 13, Issue 1 https://doi.org/10.1039/C0CP01549K	journal	January 2011
Tumbling with a limp: local asymmetry in water's hydrogen bond network and its consequences Elgabarty, Hossam; Kühne, Thomas D. Physical Chemistry Chemical Physics, Vol. 22, Issue 19 https://doi.org/10.1039/C9CP06960G	journal	January 2020
Sub-micron thick liquid sheets produced by isotropically etched glass nozzles Crissman, Christopher J.; Mo, Mianzhen; Chen, Zhijiang Lab on a Chip, Vol. 22, Issue 7 https://doi.org/10.1039/D1LC00757B	journal	January 2022
Investigation of volatile liquid surfaces by synchrotron x-ray spectroscopy of liquid microjets Wilson, Kevin R.; Rude, Bruce S.; Smith, Jared Review of Scientific Instruments, Vol. 75, Issue 3 https://doi.org/10.1063/1.1645656	journal	March 2004
Consideration of the Gibbs Theory of Surface Tension Tolman, Richard C. The Journal of Chemical Physics, Vol. 16, Issue 8 https://doi.org/10.1063/1.1746994	journal	August 1948
The Statistical Mechanical Theory of Surface Tension Kirkwood, John G.; Buff, Frank P. The Journal of Chemical Physics, Vol. 17, Issue 3 https://doi.org/10.1063/1.1747248	journal	March 1949
Hydrogen bonding definitions and dynamics in liquid water Kumar, R.; Schmidt, J. R.; Skinner, J. L. The Journal of Chemical Physics, Vol. 126, Issue 20 https://doi.org/10.1063/1.2742385	journal	May 2007
Gas detectors for x-ray lasers Tiedtke, K.; Feldhaus, J.; Hahn, U. Journal of Applied Physics, Vol. 103, Issue 9 https://doi.org/10.1063/1.2913328	journal	May 2008
Polymorphic transitions in single crystals: A new molecular dynamics method Parrinello, M.; Rahman, A. Journal of Applied Physics, Vol. 52, Issue 12 https://doi.org/10.1063/1.328693	journal	December 1981
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Dunning, Thom H. The Journal of Chemical Physics, Vol. 90, Issue 2 https://doi.org/10.1063/1.456153	journal	January 1989
Density‐functional thermochemistry. III. The role of exact exchange Becke, Axel D. The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652 https://doi.org/10.1063/1.464913	journal	April 1993
Constant pressure molecular dynamics algorithms Martyna, Glenn J.; Tobias, Douglas J.; Klein, Michael L. The Journal of Chemical Physics, Vol. 101, Issue 5 https://doi.org/10.1063/1.467468	journal	September 1994
Experimental and theoretical investigation of the electronic structure of Cu ₂ O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy Jiang, Peng; Prendergast, David; Borondics, Ferenc The Journal of Chemical Physics, Vol. 138, Issue 2 https://doi.org/10.1063/1.4773583	journal	January 2013
Ewald summation for systems with slab geometry Yeh, In-Chul; Berkowitz, Max L. The Journal of Chemical Physics, Vol. 111, Issue 7 https://doi.org/10.1063/1.479595	journal	August 1999
A liquid flatjet system for solution phase soft-x-ray spectroscopy Ekimova, Maria; Quevedo, Wilson; Faubel, Manfred Structural Dynamics, Vol. 2, Issue 5 https://doi.org/10.1063/1.4928715	journal	August 2015
Accurate determination of complex χ ⁽²⁾ spectrum of the air/water interface Adhikari, Aniruddha The Journal of Chemical Physics, Vol. 143, Issue 12 https://doi.org/10.1063/1.4931485	journal	September 2015
Communication: Vibrational sum-frequency spectrum of the air-water interface, revisited Ni, Yicun; Skinner, J. L. The Journal of Chemical Physics, Vol. 145, Issue 3 https://doi.org/10.1063/1.4958967	journal	July 2016
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 Reddy, Sandeep K.; Straight, Shelby C.; Bajaj, Pushp The Journal of Chemical Physics, Vol. 145, Issue 19 https://doi.org/10.1063/1.4967719	journal	November 2016
Micrometer-thickness liquid sheet jets flowing in vacuum Galinis, Gediminas; Strucka, Jergus; Barnard, Jonathan C. T. Review of Scientific Instruments, Vol. 88, Issue 8 https://doi.org/10.1063/1.4990130	journal	August 2017
Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function Reddy, Sandeep K.; Moberg, Daniel R.; Straight, Shelby C. The Journal of Chemical Physics, Vol. 147, Issue 24 https://doi.org/10.1063/1.5006480	journal	December 2017
Quadrupolar mechanism for vibrational sum frequency generation at air/liquid interfaces: Theory and experiment Matsuzaki, Korenobu; Nihonyanagi, Satoshi; Yamaguchi, Shoichi The Journal of Chemical Physics, Vol. 151, Issue 6 https://doi.org/10.1063/1.5088192	journal	August 2019
International Tables of the Surface Tension of Water Vargaftik, N. B.; Volkov, B. N.; Voljak, L. D. Journal of Physical and Chemical Reference Data, Vol. 12, Issue 3 https://doi.org/10.1063/1.555688	journal	July 1983
Imaging temperature and thickness of thin planar liquid water jets in vacuum Buttersack, Tillmann; Haak, Henrik; Bluhm, Hendrik Structural Dynamics, Vol. 10, Issue 3 https://doi.org/10.1063/4.0000188	journal	May 2023
A compression strategy for particle mesh Ewald theory Simmonett, Andrew C.; Brooks, Bernard R. The Journal of Chemical Physics, Vol. 154, Issue 5 https://doi.org/10.1063/5.0040966	journal	February 2021
Analytical Hessians for Ewald and particle mesh Ewald electrostatics Simmonett, Andrew C.; Brooks, Bernard R. The Journal of Chemical Physics, Vol. 154, Issue 10 https://doi.org/10.1063/5.0044166	journal	March 2021
Vapor–liquid equilibrium of water with the MB-pol many-body potential Muniz, Maria Carolina; Gartner, Thomas E.; Riera, Marc The Journal of Chemical Physics, Vol. 154, Issue 21 https://doi.org/10.1063/5.0050068	journal	June 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Feng, Xintian The Journal of Chemical Physics, Vol. 155, Issue 8 https://doi.org/10.1063/5.0055522	journal	August 2021
Unified description of temperature-dependent hydrogen-bond rearrangements in liquid water Smith, J. D.; Cappa, C. D.; Wilson, K. R. Proceedings of the National Academy of Sciences, Vol. 102, Issue 40 https://doi.org/10.1073/pnas.0506899102	journal	September 2005
Liquid surfaces: theory of surface tension Navascues, G. Reports on Progress in Physics, Vol. 42, Issue 7 https://doi.org/10.1088/0034-4885/42/7/002	journal	July 1979
A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble Tuckerman, Mark E.; Alejandre, José; López-Rendón, Roberto Journal of Physics A: Mathematical and General, Vol. 39, Issue 19 https://doi.org/10.1088/0305-4470/39/19/S18	journal	April 2006
Covariance mapping techniques Frasinski, Leszek J. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 15 https://doi.org/10.1088/0953-4075/49/15/152004	journal	July 2016
Molecular modelling of dendrimers for nanoscale applications Çagin, Tahir; Wang, Guofeng; Martin, Ryan Nanotechnology, Vol. 11, Issue 2 https://doi.org/10.1088/0957-4484/11/2/307	journal	June 2000
Computer Simulation of Liquids Allen, Michael P.; Tildesley, Dominic J. https://doi.org/10.1093/oso/9780198803195.001.0001	book	June 2017
Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures Bäppler, Stefanie A.; Plasser, Felix; Wormit, Michael Physical Review A, Vol. 90, Issue 5 https://doi.org/10.1103/PhysRevA.90.052521	journal	November 2014
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Vanderbilt, David Physical Review B, Vol. 41, Issue 11, p. 7892-7895 https://doi.org/10.1103/PhysRevB.41.7892	journal	April 1990
Optimal basis sets for detailed Brillouin-zone integrations Shirley, Eric L. Physical Review B, Vol. 54, Issue 23 https://doi.org/10.1103/PhysRevB.54.16464	journal	December 1996
X-ray absorption near-edge structure calculations with the pseudopotentials: Application to the K edge in diamond and α -quartz Taillefumier, Mathieu; Cabaret, Delphine; Flank, Anne-Marie Physical Review B, Vol. 66, Issue 19 https://doi.org/10.1103/PhysRevB.66.195107	journal	November 2002
Rapid estimation of elastic constants by molecular dynamics simulation under constant stress Shinoda, Wataru; Shiga, Motoyuki; Mikami, Masuhiro Physical Review B, Vol. 69, Issue 13 https://doi.org/10.1103/PhysRevB.69.134103	journal	April 2004
Bloch-state-based interpolation: An efficient generalization of the Shirley approach to interpolating electronic structure Prendergast, David; Louie, Steven G. Physical Review B, Vol. 80, Issue 23 https://doi.org/10.1103/PhysRevB.80.235126	journal	December 2009
Soft X-Ray Second Harmonic Generation as an Interfacial Probe Lam, R. K.; Raj, S. L.; Pascal, T. A. Physical Review Letters, Vol. 120, Issue 2 https://doi.org/10.1103/PhysRevLett.120.023901	journal	January 2018
Element Selectivity in Second-Harmonic Generation of GaFeO 3 by a Soft-X-Ray Free-Electron Laser Yamamoto, Sh.; Omi, T.; Akai, H. Physical Review Letters, Vol. 120, Issue 22 https://doi.org/10.1103/PhysRevLett.120.223902	journal	June 2018
Angstrom-Resolved Interfacial Structure in Buried Organic-Inorganic Junctions Schwartz, Craig P.; Raj, Sumana L.; Jamnuch, Sasawat Physical Review Letters, Vol. 127, Issue 9 https://doi.org/10.1103/PhysRevLett.127.096801	journal	August 2021
Polarization-Resolved Extreme-Ultraviolet Second-Harmonic Generation from LiNbO3 Uzundal, Can B.; Jamnuch, Sasawat; Berger, Emma Physical Review Letters, Vol. 127, Issue 23 https://doi.org/10.1103/PhysRevLett.127.237402	journal	November 2021
Surface Roughness of Water Measured by X-Ray Reflectivity Braslau, A.; Deutsch, M.; Pershan, P. S. Physical Review Letters, Vol. 54, Issue 2 https://doi.org/10.1103/PhysRevLett.54.114	journal	January 1985
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
X-Ray Absorption Spectra of Water from First Principles Calculations Prendergast, David; Galli, Giulia Physical Review Letters, Vol. 96, Issue 21 https://doi.org/10.1103/PhysRevLett.96.215502	journal	May 2006
Soft X-Ray Optics Spiller, Eberhard A. SPIE Digital Library https://doi.org/10.1117/3.176482	book	August 1994
Table-top extreme ultraviolet second harmonic generation Helk, Tobias; Berger, Emma; Jamnuch, Sasawat Science Advances, Vol. 7, Issue 21 https://doi.org/10.1126/sciadv.abe2265	journal	May 2021
Observation of the fastest chemical processes in the radiolysis of water Loh, Z. -H.; Doumy, G.; Arnold, C. Science, Vol. 367, Issue 6474 https://doi.org/10.1126/science.aaz4740	journal	January 2020
Atmospheric Spectroscopy and Photochemistry at Environmental Water Interfaces Zhong, J.; Kumar, M.; Anglada, J. M. Annual Review of Physical Chemistry, Vol. 70, Issue 1 https://doi.org/10.1146/annurev-physchem-042018-052311	journal	June 2019
Second Harmonic Generation, Sum Frequency Generation, and χ ⁽³⁾ : Dissecting Environmental Interfaces with a Nonlinear Optical Swiss Army Knife Geiger, Franz M. Annual Review of Physical Chemistry, Vol. 60, Issue 1 https://doi.org/10.1146/annurev.physchem.59.032607.093651	journal	May 2009
Second-Harmonic Optical Response from First Principles Sharma, S.; Ambrosch-Draxl, C. Physica Scripta, Vol. T109 https://doi.org/10.1238/Physica.Topical.109a00128	journal	January 2004
Phenomenological treatment of surface second-harmonic generation Mizrahi, Victor; Sipe, J. E. Journal of the Optical Society of America B, Vol. 5, Issue 3 https://doi.org/10.1364/JOSAB.5.000660	journal	January 1988
Microfluidic liquid sheets as large-area targets for high repetition XFELs Hoffman, David J.; Van Driel, Tim B.; Kroll, Thomas Frontiers in Molecular Biosciences, Vol. 9 https://doi.org/10.3389/fmolb.2022.1048932	journal	December 2022

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