Publications

+

Information on publishing within CMWS

Association and Acknowledgements to the CMWS Network
  • If you wish to associate your publications to the CMWS network activities, please insert into your acknowledgements: "We also acknowledge the scientific exchange and support of the Centre for Molecular Water Science (CMWS)."

 

  • For all publications of ESP projects it is mandatory to include CMWS in the acknowledgements: "This research was supported by the Centre for Molecular Water Science (CMWS) in an Early Science Project."

 

CMWS Logo 1

CMWS Logo 2

Publications listed on the CMWS webpage
  • If you wish to have the connected publication posted on the CMWS webpage, please send an e-mail to cmws.web@desy.de including: title; authors; journal, year, issue, pages and DOI and a PDF version (the PDF will not be uploaded)

2023

(*ESP) Tonauer, C. M., Hauschild, E., Eisendle, S., Fuentes-Landete, V., Yamashita, K., Hoffmann, L., Böhmer, R., & Loerting, T. (2023). Strategies to obtain highly ordered deuterated ices presented on the example of ice XIV. PNAS Nexus, 2(12), pgad418. https://doi.org/10.1093/pnasnexus/pgad418

Lathe, C., Koch-Müller, M., Wunder, B., Appelt, O., Sieber, M., Bhat, S., & Farla, R. (2023). In situ study of the reaction phase A plus high-P clinoenstatite to forsterite plus water at reduced water activity. European Journal of Mineralogy, 35(6), 1149–1157. https://doi.org/10.5194/ejm-35-1149-202

(*ESP)  H. Li, M. Ladd-Parada, A. Karina, F. Dallari, M. Reiser, F. Perakis, N.N. Striker, M. Sprung, F. Westermeier, G. Grübel, W. Steffen, F. Lehmkühler, and K. Amann-Winkel. Intrinsic Dynamics of Amorphous Ice Revealed by a Heterodyne Signal in X-ray Photon Correlation Spectroscopy Experiments. J. Phys. Chem. Lett. 14, 10999-11007 (2023). https://doi.org/10.1021/acs.jpclett.3c02470

Fraxedas, J., Reguera, D., & Esplandiu, M. J. "Collective motion of Nafion-based micromotors in water". Faraday Discuss (2023). https://doi.org/10.1039/D3FD00098B

(*ESP)  J. Leroux, A. Kotobi, K. Hirsch, T. Lau, C. Ortiz-Mahecha, D. Maksimov, R. Meißner, B. Oostenrijk, M. Rossi, K. Schubert, M. Timm, F. Trinter, I. Unger, V. Zamudio-Bayer, L. Schwob, and S. Bari. "Mapping the electronic transitions of protonation sites in peptides using soft X-ray action spectroscopy". Physical Chemistry Chemical Physics 25, 25603 (2023). https://doi.org/10.1039/D3CP02524A

(*ESP) Wei, X.; Zhou, Q.; Li, F.; Zhang, C.; Sun, F.; Zhang, Z.; Li, R.; Yu, H.; Yan Y.; Li, L.; Liermann, H.-P.; Speziale, S.; and Li, X. "Novel High-Pressure Potassium Chloride Monohydrate and Its Implications for Water-Rich Planetary Bodies". Journal of Geophysical Research: Planets 128, e2022JE007622 (2023). https://doi.org/10.1029/2022JE007622

Hwang, H. ; Bang, Y. ; Choi, J. ; Cynn, H. ; Jenei, Z. ; Evans, W. J. ; Ehnes, A. ; Schwark, I. ; Glazyrin, K. ; Diego Gatta, G. ; Lotti, P. ; Sanloup, C. ; Lee, Y. ; Liermann, H.-P. "Graphite Resistive heated Diamond Anvil Cell for simultaneous high-pressure and -temperature diffraction experiments", Review of Scientific Instruments 94(8), 083903 (2023). https://doi.org/10.1063/5.0132981  

(*ESP) Mariia Filianina, Maddalena Bin, Sharon Berkowicz, Mario Reiser, Hailong Li, Sonja Timmermann, Malte Blankenburg, Katrin Amann-Winkel, Christian Gutt, and Fivos Perakis. "Nanocrystallites Modulate Intermolecular Interactions in Cryoprotected Protein Solutions" J. Phys. Chem. B 127, 6197-6204 (2023). https://doi.org/10.1021/acs.jpcb.3c02413

Maddalena Bin, Mario Reiser, Mariia Filianina, Sharon Berkowicz, Sudipta Das, Sonja Timmermann, Wojciech Roseker, Robert Bauer, Jonatan Öström, Aigerim Karina, Katrin Amann-Winkel, Marjorie Ladd-Parada, Fabian Westermeier, Michael Sprung, Johannes Möller, Felix Lehmkühler, Christian Gutt, and Fivos Perakis. "Coherent X-ray Scattering Reveals Nanoscale Fluctuations in Hydrated Proteins" J. Phys. Chem. B 127, 4922-4930 (2023). https://doi.org/10.1021/acs.jpcb.3c02492

Christina M. Tonauer, Keishiro Yamashita, Leonardo del Rosso, Milva Celli, and Thomas Loerting "Enthalpy Change from Pure Cubic Ice Ic to Hexagonal Ice Ih" J. Phys. Chem. Lett 14, 5055-5060 (2023). DOI: 10.1021/acs.jpclett.3c00408

Christina M. Tonauer, Lilli-Ruth Fidler, Johannes Giebelmann, Keishiro Yamashita, Thomas Loerting "Nucleation and growth of crystalline ices from amorphous" J. Chem. Phys. 158, 141001 (2023). https://doi.org/10.1063/5.0143343

N.N. Striker, I. Lokteva, M. Dartsch, F. Dallari, C. Goy, F. Westermeier, V. Markmann, S. C. Hövelmann, G. Grübel and F. Lehmkühler "Dynamics and Time Scales of Higher-Order Correlations in Supercooled Colloidal Systems" J. Phys. Chem. Lett., 14, 20, 4719-4725 (2023). http://dx.doi.org/10.1021/acs.jpclett.3c00631

 

2022

C. Goy, F. Caupin, M. Caresana, L. Cremonesi, A. Kalinin, G. Grübel, M. A. C. Potenza, R. E. Grisenti "Refractive Index of Supercooled Water Down to 230.3 K in the Wavelength Range between 534 and 675 nm ." J. Phys. Chem. Lett., 13, 51, 11872–11877 (2022) https://pubs.acs.org/doi/10.1021/acs.jpclett.2c02803

W. Sun, and M. Schnell. "Microhydrated 3‐methyl‐3‐oxetanemethanol: Evolution of the hydrogen‐bonding network from chains to cubes." Angew. Chem. Int. Ed. 61, (2022) https://doi.org/10.1002/anie.202210819

Möller C.H., Schmidt C., Guyot F., Wilke M. (2022) Hydrolysis rate constants of ATP determined in situ at elevated temperatures. Biophysical Chemistry, 290, 106878 https://doi.org/10.1016/j.bpc.2022.106878

(*ESP) X. Li, S. Speziale, M. Koch-Müller, R. J. Husband, H.-P. Liermann “Phase Stability of Al-Bearing Dense Hydrous Magnesium Silicates at Topmost Lower Mantle Conditions: Implication for Water Transport in the Mantle” Geophys. Res. Lett. 49, (2022) https://doi.org/10.1029/2022GL098353

(*ESP) A. Karina, T. Eklund, C. M. Tonauer, H. Li, T. Loerting, K. Amann-Winkel “Infrared Spectroscopy on Equilibrated High-Density Amorphous Ice” J. Phys. Chem. Lett. 13, 7965–7971 (2022) https://doi.org/10.1021/acs.jpclett.2c02074

(*ESP) S. Ahlmann, L. Hoffmann, M. Keppler, P. Münzner, C. M. Tonauer, T. Loerting, C. Gainaru, R. Böhmer “Isotope effects on the dynamics of amorphous ices and aqueous phosphoric acid solutions” Phys. Chem. Chem. Phys. 24, 14846-14856 (2022) https://doi.org/10.1039/D2CP01455F

(*ESP) C. M. Tonauer, M. Bauer, T. Loerting “ The impact of temperature and unwanted impurities on slow compression of ice” Phys. Chem. Chem. Phys. 24, 35-41 (2022) https://doi.org/10.1039/D1CP03922A

(*ESP) J. Schwarz, F. Kielgast, I. Baev, S. Reinwardt, F. Trinter, S. Klumpp, A. Perry-Sassmannshausen, T. Buhr, S. Schippers, A. Müller, S. Bari, V. Mondes, R. Flesch, E. Rühl, M. Martins "X-Ray absorption spectroscopy of H3O+" Physical Chemistry Chemical Physics 24, 23119 (2022) https://doi.org/10.1039/D2CP02383K

M. J. Esplandiu, D. Reguera, D. Romero-Guzmán, A. M. Gallardo-Moreno, J. Fraxedas. "From radial to unidirectional water pumping in zeta-potential modulated Nafion nanostuctures" Nature Communications 13 (2022) 2812 https://doi.org/10.1038/s41467-022-30554-7

(*ESP) X. Li, S. Speziale, K. Glazyrin, F. D. H. Wilke, H.-P. Liermann, M. Koch-Müller. "Synthesis, structure refinement and single-crystal elasticity of Al-bearing superhydrous phase B". Am. Mineral. Manuscript (pre-print) https://doi.org/10.2138/am-2022-7989

C. Lathe, M. Koch-Müller, B. Wunder, O. Appelt, S. Bhat, R. Farla. " In situ reinvestigation of reaction phase A plus high-pressure clinoenstatite to forsterite plus water in the system MgO-SiO2-H2O (MSH)". Eur. J. Mineral 34 (2022) 201-213. https://doi.org/10.5194/ejm-34-201-2022

B. Malfait, A. Moréac, A. Jani, P. Huber, M. Fröba, D. Morineau. "Structure of Water at Hydrophilic and Hydrophobic Interfaces: Raman Spectroscopy of Water Confined in Periodic Mesoporous (Organo)Silicas". J. Phys. Chem C 126 (2022) 3520-3531. https://doi.org/10.1021/acs.jpcc.1c09801

D. Díaz, O. Nickel, N. Moraga, R. E. Catalán, M. J. Retamal, H. Zelada, M. Cisternas, R. Meißner, P. Huber, T. P. Corrales, U. G. Volkmann. "How water wets and self-hydrophilizes nanopatterns of physisorbed hydrocarbons". J. Colloid Interface Sci. 606, (2022) 57–66. https://doi.org/10.1016/j.jcis.2021.07.121

2021

M. Brinker, P. Huber. "Wafer-Scale Electroactive Nanoporous Silicon: Large and fully Reversible Electrochemo-Mechanical Actuation in Aqueous Electrolytes". Advance Materials 34 (2021) 2105923. https://doi.org/10.1002/adma.202105923

T. Jahnke, R. Guillemin, L. Inhester, S.-K. Son, G. Kastirke, M. Ilchen, J. Rist, D. Trabert, N. Melzer, N. Anders, T. Mazza, R. Boll, A. De Fanis, V. Music, Th. Weber, M. Weller, S. Eckart, K. Fehre, S. Grundmann, A. Hartung, M. Hofmann, C. Janke, M. Kircher, G. Nalin, A. Pier, J. Siebert, N. Strenger, I. Vela-Perez, T. M. Baumann, P. Grychtol, J. Montano, Y. Ovcharenko, N. Rennhack, D. E. Rivas, R. Wagner, P. Ziolkowski, P. Schmidt, T  Marchenko, O. Travnikova, L. Journel, I. Ismail, E. Kukk, J. Niskanen, F. Trinter, C. Vozzi, M. Devetta, S. Stagira, M. Gisselbrecht, A. L. Jäger, X. Li, Y. Malakar, M. Martins, R. Feifel, L. Ph. H. Schmidt, A. Czasch, G. Sansone, D. Rolles, A. Rudenko, R. Moshammer, R. Dörner, M. Meyer, T. Pfeifer, M. S. Schöffler, R. Santra, M. Simon, and M. N. Piancastelli. "Inner-Shell-Ionization-Induced Femtosecond Structural Dynamics of Water Molecules Imaged at an X-ray Free-Electron Laser". Physical Review X 11, (2021) 041044. https://doi.org/10.1103/PhysRevX.11.041044

S. Berkowicz, F. Perakis. "Exploring the validity of the Stokes–Einstein relation in supercooled water using nanomolecular probes". Phys. Chem. Chem. Phys, 23, (2021) 25490. https://doi.org/10.1039/D1CP02866A 

M. Koch-Müller, O. Appelt, B. Wunder, R. Wirth. "New insights in the mechanisms of the reaction 3.65 Å phase  =  clinoenstatite + water down to nanoscales". European Journal of Mineralogy, 33 (2021) 675-686, https://doi.org/10.5194/ejm-33-675-2021

F. Lehmkühler, C. Goy, R. Santra, G. Grübel. "Wasser im Licht von Röntgenlasern". Physik in unserer Zeit, 52, (2021) 6. https://doi.org/10.1002/piuz.202101616

P. E. Mason, H. C. Schewe, T. Buttersack, V. Kostal, M. Vitek, R. S. McMullen, H. Ali, F. Trinter, C. Lee, D. M. Neumark, S. Thürmer, R. Seidel, B. Winter, S. E. Bradforth, P. Jungwirth. "Spectroscopic evidence for a gold-coloured metallic water solution". Nature 595 (2021). DOI: 10.1038/s41586-021-03646-5

A. Hans, P. Schmidt, C. Küstner-Wetekam, F. Trinter, S. Deinert, D. Bloß, J. H. Viehmann, R. Schaf, M. Gerstel, C. M. Saak, J. Buck, S. Klumpp, G. Hartmann, L. S. Cederbaum, N. V. Kryzhevoi, A. Knie. "Suppression of X‑ray-Induced Radiation Damage to Biomolecules in Aqueous Environments by Immediate Intermolecular Decay of Inner-Shell Vacancies". J. Phys. Chem. Lett. 12 (2021) 7146-7150. DOI: 10.1021/acs.jpclett.1c01879

S. Thürmer, S. Malerz, F. Trinter, U. Hergenhahn, C. Lee, D. M. Neumark, G. Meijer, B. Winter, I. Wilkinson. "Accurate vertical ionization energy and work function determinations of liquid water and aqueous solutions". Chem. Sci., 12, (2021 10558-10582. DOI: 10.1039/D1SC01908B

S. Malerz, K. Mudryk, I. Lokteva, L. Tomaník, D. Stemer, U. Hergenhahn, T. Buttersack, F. Trinter, R. Seidel, W. Quevedo, C. Goy, I. Wilkinson, S. Thürmer, P. Slavíček, B. Winter. "Following in Emil Fischer´s Footsteps: A Site-Selective Probe of Glucose-Acid Based Chemistry". J. Phys. Chem. A, 125 (2021) 6881-6892.. DOI: 10.1021/acs.jpca.1c04695

(*ESP) F. Dallari, M. Reiser, I. Lokteva, A. Jain, J. Möller, M. Scholz, A. Madsen, G. Grübel, F. Perakis, F. Lehmkühler. "Analysis Strategies for MHz XPCS at the European XFEL". Appl. Sci. 11, (2021) 8037. http://doi:10.3390/app11178037

R. J. Husband, R. S. McWilliams, E. J. Pace, A. L. Coleman, H. Hwang, J. Choi, T. Kim, G. C. Hwang, O. B. Ball, S. H. Chun, D. Nam, S. Kim, H. Cynn, V. B. Prakapenka, S. Shim, S. Toleikis, M. I. McMahon, Y. Lee, H. Liermann. "X-ray free electron laser heating of water and gold at high static pressure". Communications Materials 2, (2021) 61. DOI: 10.1038/s43246-021-00158-7

J. Smits, R. P. Giri, C. Shen, D. Mendonça, B. Murphy, P. Huber, K. Rezwan, M. Maas. "Synergistic and Competitive Adsorption of Hydrophilic Nanoparticles and Oil-Soluble Surfactants at the Oil–Water Interface". Langmuir. 37, (2021) 5659–5672. DOI: 10.1021/acs.langmuir.1c00559

A. Jani, M. Busch, J. B. Mietner, J. Ollivier, M. Appel, B. Frick, J.-M. Zanotti, A. Ghoufi, P. Huber, M. Fröba, D. Morineau. "Dynamics of water confined in mesopores with variable surface interaction". J. Chem. Phys. 154, (2021) 094505. https://doi.org/10.1063/5.0040705

B. Malfait, A. Jani, J. B. Mietner, R. Lefort, P. Huber, M. Fröba, D. Morineau. "Influence of Pore Surface Chemistry on the Rotational Dynamics of Nanoconfined Water". J. Phys. Chem. C. 125, (2021) 16864–16874. DOI: 10.1021/acs.jpcc.1c05502

M. Elbers, C. Schmidt, C. Sternemann, C. J. Sahle, S. Jahn, C. Albers, R. Sakrowski, H. Gretarsson, M. Sundermann, M. Tolan, M. Wilke. "Ion association in hydrothermal aqueous NaCl solutions: implications for the microscopic structure of supercritical water". Phys. Chem. Chem. Phys. 23, (2021) 14845–14856. DOI: 10.1039/d1cp01490k

(*ESP) S. Klemme, M. Feldhaus, V. Potapkin, M. Wilke, M. Borchert, M. Louvel, A. Loges, A. Rohrbach, P. Weitkamp, E. Welter, M. Kokh, C. Schmidt, D. Testemale. "A hydrothermal apparatus for x-ray absorption spectroscopy of hydrothermal fluids at DESY". Rev. Sci. Instrum. 92, (2021) 063903. DOI: 10.1063/5.0044767

(*ESP) T. Kim, S. Chariton, V. Prakapenka, A. Pakhomova, H.-P. Liermann, Z. Liu, S. Speziale, S.-H. Shim, Y. Lee. "Atomic-scale mixing between MgO and H2O in the deep interiors of water-rich planets". Nat. Astron. 5, (2021) 815–821. DOI: 10.1038/s41550-021-01368-2 

S. Malerz, F. Trinter, U. Hergenhahn, A. Ghrist, H. Ali, C. Nicolas, C.-M. Saak, C. Richter, S. Hartweg, L. Nahon, C. Lee, C. Goy, D. M. Neumark, G. Meijer, I. Wilkinson, B. Winter, S. Thürmer. "Low-energy constraints on photoelectron spectra measured from liquid water and aqueous solutions". Phys. Chem. Chem. Phys. 23, (2021) 8246–8260. DOI: 10.1039/D1CP00430A

(*ESP) Y. Bang, H. Hwang, T. Kim, H. Cynn, Y. Park, H. Jung, C. Park, D. Popov, V. B. Prakapenka, L. Wang, H.-P. Liermann, T. Irifune, H.-K. Mao, Y. Lee. "The stability of subducted glaucophane with the Earth’s secular cooling". Nat. Commun. 12, (2021) 1496. DOI: 10.1038/s41467-021-21746-8

(*ESP) A. S. J. Méndez, F. Trybel, R. J. Husband, G. Steinle-Neumann, H.-P. Liermann, H. Marquardt. "Bulk modulus of H2O across the ice VII--ice X transition measured by time-resolved x-ray diffraction in dynamic diamond anvil cell experiments". Phys. Rev. B. 103, (2021) 064104. DOI: 10.1103/PhysRevB.103.064104

H. Li, J. Mars, W. Lohstroh, M. M. Koza, H.-J. Butt, M. Mezger. "Water Mobility in the Interfacial Liquid Layer of Ice/Clay Nanocomposites". Angew. Chem. Int. Ed. 60, (2021) 7697–7702. DOI: 10.1002/anie.202013125

(*ESP) C. M. Tonauer, E.-M. Köck, T. M. Gasser, V. Fuentes-Landete, R. Henn, S. Mayr, C. G. Kirchler, C. W. Huck, T. Loerting. "Near-Infrared Spectra of High-Density Crystalline H2O Ices II, IV, V, VI, IX, and XII". J. Phys. Chem. A. 125, (2021) 1062–1068. DOI: 10.1021/acs.jpca.0c09764 

W. Li, M. M. Quesada-Moreno, P. Pinacho, M. Schnell. "Unlocking the Water Trimer Loop: Isotopic Study of Benzophenone-(H2O)1–3 Clusters with Rotational Spectroscopy". Angew. Chem. Int. Ed. 60, (2021) 5323–5330. DOI: 10.1002/anie.202013899

 

 

2020

 

M. Brinker, G. Dittrich, C. Richert, P. Lakner, T. Krekeler, T. F. Keller, N. Huber, P. Huber. "Giant electrochemical actuation in a nanoporous silicon-polypyrrole hybrid material". Sci. Adv. (2020). DOI: 10.1126/sciadv.aba1483

P. H. Lakner, M. Brinker, C. Seitz, L. Jacobse, V. Vonk, M. Lippmann, S. Volkov, P. Huber, T. F. Keller. "Probing the Electrolyte Transfer in Ultrathin Polypyrrole Films by In Situ X-ray Reflectivity and Electrochemistry". Langmuir. 36, (2020) 13448–13456. https://doi.org/10.1021/acs.langmuir.0c02068

A. Campargue, A. M. Solodov, A. Yachmenev, A. A. Solodov, S. N. Yurchenko. “Detection of electric-quadrupole transitions in water vapour near 5.4 and 2.5 μm”. Physical Chemistry Chemical Pysics 22 (2020), 12476. DOI https://doi.org/10.1039/D0CP01667E

A. Campargue, A. A. Kyuberis, S. N. Yurchenko, A. Yachmenev, S. Kassi, J. Küpper, “Observation of electric-quadrupole infrared transitions in water vapor”. Physical Review Research 2 (2020), 023091. DOI: 10.1103/PhysRevResearch.2.023091

F. Lehmkühler, F. Dallari, A. Jain, M. Sikorski, J. Möller, L. Frenzel, I. Lokteva, G. Mills, M. Walther, H. Sinn, F. Schulz, M. Dartsch, V. Markmann, R. Bean, Y. Kim, P. Vagovic, A. Madsen, A. P. Mancuso, G. Grübel. "Emergence of anomalous dynamics in soft matter probed at the European XFEL". Proc. Natl. Acad. Sci. 117, (2020) 24110–24116. DOI: 10.1073/pnas.2003337117

(*ESP) P. Busse, Z. Yin, D. Mierwaldt, J. Scholz, B. Kressdorf, L. Glaser, P. S. Miedema, A. Rothkirch, J. Viefhaus, C. Jooss, S. Techert, M. Risch. "Probing the Surface of La0.6Sr0.4MnO3 in Water Vapor by In Situ Photon-In/Photon-Out Spectroscopy". J. Phys. Chem. C. 124, (2020) 7893–7902. DOI: 10.1021/acs.jpcc.0c00840

E. Breynaert, M. Houlleberghs, S. Radhakrishnan, G. Grübel, F. Taulelle, J. A. Martens. "Water as a tuneable solvent: a perspective". Chem. Soc. Rev. 49, (2020) 2557–2569. DOI: 10.1039/C9CS00545E

 

(*) Refers to ESP Projects