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First-principles assessment of CdTe as a tunnel barrier at the <em>α</em>-Sn/InSb interface
Jardine, M. J. A., Dardzinski, D., Yu, M., Purkayastha, A., Chen, A. H., Chang, Y. H., … Marom, N. (2023). First-principles assessment of CdTe as a tunnel barrier at the α-Sn/InSb interface. ACS Applied Materials and Interfaces, 15(12), 16288-16298. https://doi.org/10.1021/acsami.3c00323
Large orbital moment of two coupled spin-half co ions in a complex on gold
Li, C., Robles, R., Lorente, N., Mahatha, S. K., Rohlf, S., Rossnagel, K., … Gruber, M. (2023). Large orbital moment of two coupled spin-half co ions in a complex on gold. ACS Nano, 17(11), 10608-10616. https://doi.org/10.1021/acsnano.3c01595
Combined theoretical and experimental study of the Moiré dislocation network at the SrTiO<sub>3</sub>-(La,Sr)(Al,Ta)O<sub>3</sub> interface
Ricca, C., Skoropata, E., Rossell, M. D., Erni, R., Staub, U., & Aschauer, U. (2023). Combined theoretical and experimental study of the Moiré dislocation network at the SrTiO3-(La,Sr)(Al,Ta)O3 interface. ACS Applied Materials and Interfaces, 15(46), 53678-53687. https://doi.org/10.1021/acsami.3c10958
Slow magnetic relaxation of dy adatoms with in-plane magnetic anisotropy on a two-dimensional electron gas
Bellini, V., Rusponi, S., Kolorenč, J., Mahatha, S. K., Valbuena, M. A., Persichetti, L., … Barla, A. (2022). Slow magnetic relaxation of dy adatoms with in-plane magnetic anisotropy on a two-dimensional electron gas. ACS Nano, 16(7), 11182-11193. https://doi.org/10.1021/acsnano.2c04048
Anti-symmetric Compton scattering in LiNiPO<sub>4</sub>: Towards a direct probe of the magneto-electric multipole moment
Bhowal, S., O'Neill, D., Fechner, M., Spaldin, N. A., Staub, U., Duffy, J., & Collins, S. P. (2022). Anti-symmetric Compton scattering in LiNiPO4: Towards a direct probe of the magneto-electric multipole moment. Open Research Europe, 1, 132 (16 pp.). https://doi.org/10.12688/openreseurope.13863.2
Role of the magnetic anisotropy in atomic-spin sensing of 1D molecular chains
Wäckerlin, C., Cahlík, A., Goikoetxea, J., Stetsovych, O., Medvedeva, D., Redondo, J., … Jelínek, P. (2022). Role of the magnetic anisotropy in atomic-spin sensing of 1D molecular chains. ACS Nano, 16(10), 16402-16413. https://doi.org/10.1021/acsnano.2c05609
Electronic structure of InAs and InSb surfaces: density functional theory and angle-resolved photoemission spectroscopy
Yang, S., Schröter, N. B. M., Strocov, V. N., Schuwalow, S., Rajpalk, M., Ohtani, K., … Marom, N. (2022). Electronic structure of InAs and InSb surfaces: density functional theory and angle-resolved photoemission spectroscopy. Advanced Quantum Technologies, 5(3), 2100033 (13 pp.). https://doi.org/10.1002/qute.202100033
Iron in hydroxyapatite: interstitial or substitution sites?
Avakyan, L., Paramonova, E., Bystrov, V., Coutinho, J., Gomes, S., & Renaudin, G. (2021). Iron in hydroxyapatite: interstitial or substitution sites? Nanomaterials, 11(11), 2978 (19 pp.). https://doi.org/10.3390/nano11112978
Correlation between electronic configuration and magnetic stability in dysprosium single atom magnets
Donati, F., Pivetta, M., Wolf, C., Singha, A., Wäckerlin, C., Baltic, R., … Rusponi, S. (2021). Correlation between electronic configuration and magnetic stability in dysprosium single atom magnets. Nano Letters, 21(19), 8226-8273. https://doi.org/10.1021/acs.nanolett.1c02744
Pressure induced superconducting state in ideal topological insulator BiSbTe&lt;sub&gt;3&lt;/sub&gt;
Gangwar, V. K., Kumar, S., Singh, M., Ghosh, L., Zhang, Y., Shahi, P., … Chatterjee, S. (2021). Pressure induced superconducting state in ideal topological insulator BiSbTe3. Physica Scripta, 96(5), 055802 (8 pp.). https://doi.org/10.1088/1402-4896/abe5d4
Universal structural influence on the 2D electron gas at SrTiO<sub>3</sub> surfaces
Guedes, E. B., Muff, S., Brito, W. H., Caputo, M., Li, H., Plumb, N. C., … Radović, M. (2021). Universal structural influence on the 2D electron gas at SrTiO3 surfaces. Advanced Science, 8(22), 2100602 (10 pp.). https://doi.org/10.1002/advs.202100602
Determination of the preferred reaction pathway of acetophenone on Si(001) using photoelectron diffraction
Lalaguna, P. L., Hedgeland, H., Ryan, P. T. P., Warschkow, O., Muntwiler, M. K., Teplyakov, A. V., … Duncan, D. A. (2021). Determination of the preferred reaction pathway of acetophenone on Si(001) using photoelectron diffraction. Journal of Physics: Condensed Matter, 33(21), 214002 (10 pp.). https://doi.org/10.1088/1361-648X/abe6dd
In situ X-ray photoelectron spectroscopy detects multiple active sites involved in the selective anaerobic oxidation of methane in copper-exchanged zeolites
Artiglia, L., Sushkevich, V. L., Palagin, D., Knorpp, A. J., Roy, K., & van Bokhoven, J. A. (2019). In situ X-ray photoelectron spectroscopy detects multiple active sites involved in the selective anaerobic oxidation of methane in copper-exchanged zeolites. ACS Catalysis, 9(8), 6728-6737. https://doi.org/10.1021/acscatal.9b01223
Large effect of metal substrate on magnetic anisotropy of Co on hexagonal boron nitride
Gallardo, I., Arnau, A., Delgado, F., Baltic, R., Singha, A., Donati, F., … Brune, H. (2019). Large effect of metal substrate on magnetic anisotropy of Co on hexagonal boron nitride. New Journal of Physics, 21, 073053 (13 pp.). https://doi.org/10.1088/1367-2630/ab3077
Density functional theory calculations of merohedric twinning in KLiSO&lt;sub&gt;4&lt;/sub&gt;
Grimmer, H., & Delley, B. (2019). Density functional theory calculations of merohedric twinning in KLiSO4. Zeitschrift für Kristallographie: Crystalline Materials, 234(4), 211-217. https://doi.org/10.1515/zkri-2018-2126
Water molecules facilitate hydrogen release in anaerobic oxidation of methane to methanol over Cu/Mordenite
Palagin, D., Sushkevich, V. L., & van Bokhoven, J. A. (2019). Water molecules facilitate hydrogen release in anaerobic oxidation of methane to methanol over Cu/Mordenite. ACS Catalysis, 9(11), 10365-10374. https://doi.org/10.1021/acscatal.9b02702
Halogen-dependent surface confinement governs selective alkane functionalization to olefins
Zichittella, G., Scharfe, M., Puértolas, B., Paunović, V., Hemberger, P., Bodi, A., … Pérez-Ramírez, J. (2019). Halogen-dependent surface confinement governs selective alkane functionalization to olefins. Angewandte Chemie International Edition, 58(18), 5877-5881. https://doi.org/10.1002/anie.201811669
Magnetic properties of metal–organic coordination networks based on 3d transition metal atoms
Blanco-Rey, M., Sarasola, A., Nistor, C., Persichetti, L., Stamm, C., Piamonteze, C., … Arnau, A. (2018). Magnetic properties of metal–organic coordination networks based on 3d transition metal atoms. Molecules, 23(4), 964. https://doi.org/10.3390/molecules23040964
Enzyme catalysis captured using multiple structures from one crystal at varying temperatures
Horrell, S., Kekilli, D., Sen, K., Owen, R. L., Dworkowski, F. S. N., Antonyuk, S. V., … Hough, M. A. (2018). Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5(3), 283-292. https://doi.org/10.1107/S205225251800386X
Evidence of large spin-orbit coupling effects in quasi-free-standing graphene on Pb/Ir(1 1 1)
Otrokov, M. M., Klimovskikh, I. I., Calleja, F., Shikin, A. M., Vilkov, O., Rybkin, A. G., … Arnau, A. (2018). Evidence of large spin-orbit coupling effects in quasi-free-standing graphene on Pb/Ir(1 1 1). 2D Materials, 5(3), 035029 (10 pp.). https://doi.org/10.1088/2053-1583/aac596