| 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 |
| Pressure induced superconducting state in ideal topological insulator BiSbTe<sub>3</sub>
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<sub>4</sub>
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 |
| Multiple reaction paths for CO oxidation on a 2D SnO<em><sub>x </sub></em>nano‐oxide on the Pt(110) surface: intrinsic reactivity and spillover
Zheng, J., Busch, M., Artiglia, L., Skála, T., Rossmeisl, J., & Agnoli, S. (2019). Multiple reaction paths for CO oxidation on a 2D SnOx nano‐oxide on the Pt(110) surface: intrinsic reactivity and spillover. Advanced Materials Interfaces, 6(6), 1801874 (9 pp.). https://doi.org/10.1002/admi.201801874 |
| 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 |