Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
4355 Publications
2021 | Journal Article | LibreCat-ID: 33643
J. J. Heske et al., “When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C2N materials,” Journal of Materials Chemistry A, vol. 9, no. 39, pp. 22563–22572, 2021, doi: 10.1039/d1ta05122a.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33645
D. Ojha and T. Kühne, “Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy,” Scientific Reports, vol. 11, no. 1, Art. no. 2456, 2021, doi: 10.1038/s41598-021-81635-4.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33644
S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, and H. Elgabarty, “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids,” The Journal of Physical Chemistry A, vol. 125, no. 3, pp. 867–874, 2021, doi: 10.1021/acs.jpca.0c11296.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33649
J. Kessler, F. Calcavecchia, and T. Kühne, “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo,” Advanced Theory and Simulations, vol. 4, no. 4, Art. no. 2000269, 2021, doi: 10.1002/adts.202000269.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33648
A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy functional of non-interacting fermions,” The Journal of Chemical Physics, vol. 154, no. 7, Art. no. 074107, 2021, doi: 10.1063/5.0037319.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33655
M. Chugh, M. Jain, G. Wang, A. S. Nia, H. Mirhosseini, and T. Kühne, “A combinatorial study of electrochemical anion intercalation into graphite,” Materials Research Express, vol. 8, no. 8, Art. no. 085502, 2021, doi: 10.1088/2053-1591/ac1965.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33658
P. Partovi-Azar and T. Kühne, “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase,” Micromachines, vol. 12, no. 10, Art. no. 1212, 2021, doi: 10.3390/mi12101212.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33651
S. K. Sahoo et al., “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials,” The Journal of Physical Chemistry C, vol. 125, no. 25, pp. 13749–13758, 2021, doi: 10.1021/acs.jpcc.1c03947.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33657
H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An automated approach for developing neural network interatomic potentials with FLAME,” Computational Materials Science, vol. 197, Art. no. 110567, 2021, doi: 10.1016/j.commatsci.2021.110567.
LibreCat
| DOI
2021 | Conference Paper | LibreCat-ID: 33654
V. Balos et al., “Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields,” in Terahertz Emitters, Receivers, and Applications XII, 2021, doi: 10.1117/12.2594143.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33656
M. Wang, A. Ranjbar, T. Kühne, R. V. Belosludov, Y. Kawazoe, and Y. Liang, “A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states,” Carbon, vol. 181, pp. 370–378, 2021, doi: 10.1016/j.carbon.2021.05.026.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33659
A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” Journal of Physics: Materials, vol. 5, no. 1, Art. no. 015001, 2021, doi: 10.1088/2515-7639/ac363d.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33681
M. A. R. da Silva et al., “Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst,” Applied Catalysis B: Environmental, vol. 304, Art. no. 120965, 2021, doi: 10.1016/j.apcatb.2021.120965.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33675
L. Mai et al., “Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum,” Dalton Transactions, vol. 51, no. 4, pp. 1384–1394, 2021, doi: 10.1039/d1dt03753f.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 23728 | 
J. P. Höpker et al., “Integrated superconducting nanowire single-photon detectors on titanium in-diffused lithium niobate waveguides,” Journal of Physics: Photonics, vol. 3, p. 034022, 2021, doi: 10.1088/2515-7647/ac105b.
LibreCat
| Files available
| DOI
2021 | Journal Article | LibreCat-ID: 34087
S. Knust et al., “In situ backside Raman spectroscopy of zinc oxide nanorods in an atmospheric‐pressure dielectric barrier discharge plasma,” Journal of Raman Spectroscopy, vol. 52, no. 7, pp. 1237–1245, 2021, doi: 10.1002/jrs.6123.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 35303
A. Drozdowska et al., “Impact of lunch with carbohydrates differing in glycemic index on children’s cognitive functioning in the late postprandial phase: a randomized crossover study,” European Journal of Nutrition, vol. 61, no. 3, pp. 1637–1647, 2021, doi: 10.1007/s00394-021-02766-y.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 35327
M. Wortmann et al., “Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer,” International Journal of Heat and Mass Transfer, vol. 177, Art. no. 121536, 2021, doi: 10.1016/j.ijheatmasstransfer.2021.121536.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 35526
C. Kulgemeyer et al., “Exploring the impact of pre-service science teachers’ reflection skills on the development of professional knowledge during a field experience,” International Journal of Science Education, vol. 43, no. 18, pp. 3035–3057, 2021, doi: 10.1080/09500693.2021.2006820.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 34054
T. Riedl and J. Lindner, “Automated SEM Image Analysis of the Sphere Diameter, Sphere-Sphere Separation, and Opening Size Distributions of Nanosphere Lithography Masks,” Microscopy and Microanalysis, vol. 28, no. 1, pp. 185–195, 2021, doi: 10.1017/s1431927621013866.
LibreCat
| DOI