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Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001). <i>The Journal of Physical Chemistry C</i>, <i>118</i>, 8007–8013. <a href=\"https://doi.org/10.1021/jp500170t\">https://doi.org/10.1021/jp500170t</a>"},"publication_status":"published","user_id":"16199"},{"status":"public","language":[{"iso":"eng"}],"publication_identifier":{"issn":["0169-4332"]},"type":"journal_article","year":"2014","date_created":"2019-09-30T13:40:10Z","publication":"Applied Surface Science","date_updated":"2025-12-05T10:31:53Z","page":"70-78","_id":"13515","doi":"10.1016/j.apsusc.2014.01.104","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"},{"name":"TRR 142","_id":"53"},{"name":"TRR 142 - Project Area B","_id":"55"},{"_id":"68","name":"TRR 142 - Subproject B3"},{"_id":"69","name":"TRR 142 - Subproject B4"}],"author":[{"full_name":"Sanna, S.","first_name":"S.","last_name":"Sanna"},{"last_name":"Hölscher","first_name":"R.","full_name":"Hölscher, R."},{"orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt"}],"title":"Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"429"},{"_id":"27"}],"publication_status":"published","user_id":"16199","citation":{"chicago":"Sanna, S., R. Hölscher, and Wolf Gero Schmidt. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.” <i>Applied Surface Science</i>, 2014, 70–78. <a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">https://doi.org/10.1016/j.apsusc.2014.01.104</a>.","ieee":"S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge,” <i>Applied Surface Science</i>, pp. 70–78, 2014, doi: <a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">10.1016/j.apsusc.2014.01.104</a>.","ama":"Sanna S, Hölscher R, Schmidt WG. Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge. <i>Applied Surface Science</i>. Published online 2014:70-78. doi:<a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">10.1016/j.apsusc.2014.01.104</a>","apa":"Sanna, S., Hölscher, R., &#38; Schmidt, W. G. (2014). Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge. <i>Applied Surface Science</i>, 70–78. <a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">https://doi.org/10.1016/j.apsusc.2014.01.104</a>","short":"S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78.","mla":"Sanna, S., et al. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.” <i>Applied Surface Science</i>, 2014, pp. 70–78, doi:<a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">10.1016/j.apsusc.2014.01.104</a>.","bibtex":"@article{Sanna_Hölscher_Schmidt_2014, title={Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge}, DOI={<a href=\"https://doi.org/10.1016/j.apsusc.2014.01.104\">10.1016/j.apsusc.2014.01.104</a>}, journal={Applied Surface Science}, author={Sanna, S. and Hölscher, R. and Schmidt, Wolf Gero}, year={2014}, pages={70–78} }"}},{"title":"Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface","author":[{"last_name":"Guo","full_name":"Guo, Q.","first_name":"Q."},{"last_name":"Paulheim","first_name":"A.","full_name":"Paulheim, A."},{"full_name":"Sokolowski, M.","first_name":"M.","last_name":"Sokolowski"},{"full_name":"Aldahhak, Hazem","first_name":"Hazem","last_name":"Aldahhak"},{"first_name":"E.","full_name":"Rauls, E.","last_name":"Rauls"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"doi":"10.1021/jp509663s","intvolume":"       118","citation":{"short":"Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C 118 (2014) 29911–29918.","mla":"Guo, Q., et al. “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface.” <i>The Journal of Physical Chemistry C</i>, vol. 118, 2014, pp. 29911–18, doi:<a href=\"https://doi.org/10.1021/jp509663s\">10.1021/jp509663s</a>.","bibtex":"@article{Guo_Paulheim_Sokolowski_Aldahhak_Rauls_Schmidt_2014, title={Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface}, volume={118}, DOI={<a href=\"https://doi.org/10.1021/jp509663s\">10.1021/jp509663s</a>}, journal={The Journal of Physical Chemistry C}, author={Guo, Q. and Paulheim, A. and Sokolowski, M. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}, year={2014}, pages={29911–29918} }","chicago":"Guo, Q., A. Paulheim, M. Sokolowski, Hazem Aldahhak, E. Rauls, and Wolf Gero Schmidt. “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface.” <i>The Journal of Physical Chemistry C</i> 118 (2014): 29911–18. <a href=\"https://doi.org/10.1021/jp509663s\">https://doi.org/10.1021/jp509663s</a>.","ieee":"Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, and W. G. Schmidt, “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface,” <i>The Journal of Physical Chemistry C</i>, vol. 118, pp. 29911–29918, 2014, doi: <a href=\"https://doi.org/10.1021/jp509663s\">10.1021/jp509663s</a>.","ama":"Guo Q, Paulheim A, Sokolowski M, Aldahhak H, Rauls E, Schmidt WG. Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface. <i>The Journal of Physical Chemistry C</i>. 2014;118:29911-29918. doi:<a href=\"https://doi.org/10.1021/jp509663s\">10.1021/jp509663s</a>","apa":"Guo, Q., Paulheim, A., Sokolowski, M., Aldahhak, H., Rauls, E., &#38; Schmidt, W. G. (2014). Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface. <i>The Journal of Physical Chemistry C</i>, <i>118</i>, 29911–29918. <a href=\"https://doi.org/10.1021/jp509663s\">https://doi.org/10.1021/jp509663s</a>"},"publication_status":"published","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T13:26:17Z","publication":"The Journal of Physical Chemistry C","language":[{"iso":"eng"}],"type":"journal_article","year":"2014","publication_identifier":{"issn":["1932-7447","1932-7455"]},"status":"public","_id":"13508","page":"29911-29918","volume":118,"date_updated":"2025-12-05T10:35:20Z"},{"year":"2013","publication_identifier":{"issn":["0015-0193","1563-5112"]},"language":[{"iso":"eng"}],"status":"public","date_created":"2019-09-30T13:50:40Z","date_updated":"2023-10-09T08:22:10Z","_id":"13520","intvolume":"       447","author":[{"last_name":"Sanna","full_name":"Sanna, Simone","first_name":"Simone"},{"last_name":"Riefer","first_name":"A.","full_name":"Riefer, A."},{"last_name":"Neufeld","id":"23261","full_name":"Neufeld, Sergej","first_name":"Sergej"},{"last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"},{"first_name":"Gerhard","full_name":"Berth, Gerhard","last_name":"Berth","id":"53"},{"last_name":"Rüsing","id":"22501","first_name":"Michael","full_name":"Rüsing, Michael","orcid":"0000-0003-4682-4577"},{"first_name":"A.","full_name":"Widhalm, A.","last_name":"Widhalm"},{"full_name":"Zrenner, Artur","first_name":"Artur","last_name":"Zrenner","id":"606","orcid":"0000-0002-5190-0944"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"230"}],"citation":{"short":"S. Sanna, A. Riefer, S. Neufeld, W.G. Schmidt, G. Berth, M. Rüsing, A. Widhalm, A. Zrenner, Ferroelectrics 447 (2013) 63–68.","bibtex":"@article{Sanna_Riefer_Neufeld_Schmidt_Berth_Rüsing_Widhalm_Zrenner_2013, title={Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals}, volume={447}, DOI={<a href=\"https://doi.org/10.1080/00150193.2013.821893\">10.1080/00150193.2013.821893</a>}, number={1}, journal={Ferroelectrics}, author={Sanna, Simone and Riefer, A. and Neufeld, Sergej and Schmidt, Wolf Gero and Berth, Gerhard and Rüsing, Michael and Widhalm, A. and Zrenner, Artur}, year={2013}, pages={63–68} }","mla":"Sanna, Simone, et al. “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals.” <i>Ferroelectrics</i>, vol. 447, no. 1, 2013, pp. 63–68, doi:<a href=\"https://doi.org/10.1080/00150193.2013.821893\">10.1080/00150193.2013.821893</a>.","ieee":"S. Sanna <i>et al.</i>, “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals,” <i>Ferroelectrics</i>, vol. 447, no. 1, pp. 63–68, 2013, doi: <a href=\"https://doi.org/10.1080/00150193.2013.821893\">10.1080/00150193.2013.821893</a>.","chicago":"Sanna, Simone, A. Riefer, Sergej Neufeld, Wolf Gero Schmidt, Gerhard Berth, Michael Rüsing, A. Widhalm, and Artur Zrenner. “Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals.” <i>Ferroelectrics</i> 447, no. 1 (2013): 63–68. <a href=\"https://doi.org/10.1080/00150193.2013.821893\">https://doi.org/10.1080/00150193.2013.821893</a>.","ama":"Sanna S, Riefer A, Neufeld S, et al. Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals. <i>Ferroelectrics</i>. 2013;447(1):63-68. doi:<a href=\"https://doi.org/10.1080/00150193.2013.821893\">10.1080/00150193.2013.821893</a>","apa":"Sanna, S., Riefer, A., Neufeld, S., Schmidt, W. G., Berth, G., Rüsing, M., Widhalm, A., &#38; Zrenner, A. (2013). Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals. <i>Ferroelectrics</i>, <i>447</i>(1), 63–68. <a href=\"https://doi.org/10.1080/00150193.2013.821893\">https://doi.org/10.1080/00150193.2013.821893</a>"},"publication_status":"published","type":"journal_article","publication":"Ferroelectrics","issue":"1","page":"63-68","volume":447,"project":[{"_id":"52","name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"doi":"10.1080/00150193.2013.821893","abstract":[{"text":"Atomistic simulations in the framework of the density functional theory have been used to model morphologic and vibrational properties of lithium niobate–lithium tantalate mixed crystals as a function of the [Nb]/[Ta] ratio. Structural parameters such as the crystal volume and the lattice parameters a and c vary roughly linearly from LiTaO3 to LiNbO3, showing only minor deviations from the Vegard behavior. Our ab initio calculations demonstrate that the TO1, TO2 and TO4 vibrational modes become harder with increasing Nb concentration. TO3 becomes softer with increasing Nb content, instead. Furthermore, the investigated zone center A1 -TO phonon modes are characterized by a pronounced stoichiometry dependence. Frequency shifts as large as 30 cm−1 are expected as the [Nb]/[Ta] ratio grows from 0 to 1. Therefore, spectroscopic techniques sensitive to the A1 modes (such as Raman spectroscopy), can be employed for a direct and non-destructive determination of the crystal composition.","lang":"eng"}],"title":"Vibrational Fingerprints of LiNbO3-LiTaO3Mixed Crystals","user_id":"14931","keyword":["Ferroelectrics","vibrational properties","LiNbO3","LiTaO3","mixed crystals"]},{"date_updated":"2023-10-09T09:08:39Z","issue":"19","_id":"13524","volume":87,"type":"journal_article","year":"2013","publication_identifier":{"issn":["1098-0121","1550-235X"]},"language":[{"iso":"eng"}],"status":"public","publication":"Physical Review B","date_created":"2019-09-30T14:08:49Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"citation":{"short":"M. Landmann, E. Rauls, W.G. Schmidt, M. Röppischer, C. Cobet, N. Esser, T. Schupp, D.J. As, M. Feneberg, R. Goldhahn, Physical Review B 87 (2013).","bibtex":"@article{Landmann_Rauls_Schmidt_Röppischer_Cobet_Esser_Schupp_As_Feneberg_Goldhahn_2013, title={Transition energies and direct-indirect band gap crossing in zinc-blende AlxGa1−xN}, volume={87}, DOI={<a href=\"https://doi.org/10.1103/physrevb.87.195210\">10.1103/physrevb.87.195210</a>}, number={19}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Röppischer, Marcus and Cobet, Christoph and Esser, Norbert and Schupp, Thorsten and As, Donat J. and Feneberg, Martin and Goldhahn, Rüdiger}, year={2013} }","mla":"Landmann, M., et al. “Transition Energies and Direct-Indirect Band Gap Crossing in Zinc-Blende AlxGa1−xN.” <i>Physical Review B</i>, vol. 87, no. 19, 2013, doi:<a href=\"https://doi.org/10.1103/physrevb.87.195210\">10.1103/physrevb.87.195210</a>.","ieee":"M. Landmann <i>et al.</i>, “Transition energies and direct-indirect band gap crossing in zinc-blende AlxGa1−xN,” <i>Physical Review B</i>, vol. 87, no. 19, 2013, doi: <a href=\"https://doi.org/10.1103/physrevb.87.195210\">10.1103/physrevb.87.195210</a>.","chicago":"Landmann, M., E. Rauls, Wolf Gero Schmidt, Marcus Röppischer, Christoph Cobet, Norbert Esser, Thorsten Schupp, Donat J. As, Martin Feneberg, and Rüdiger Goldhahn. “Transition Energies and Direct-Indirect Band Gap Crossing in Zinc-Blende AlxGa1−xN.” <i>Physical Review B</i> 87, no. 19 (2013). <a href=\"https://doi.org/10.1103/physrevb.87.195210\">https://doi.org/10.1103/physrevb.87.195210</a>.","ama":"Landmann M, Rauls E, Schmidt WG, et al. Transition energies and direct-indirect band gap crossing in zinc-blende AlxGa1−xN. <i>Physical Review B</i>. 2013;87(19). doi:<a href=\"https://doi.org/10.1103/physrevb.87.195210\">10.1103/physrevb.87.195210</a>","apa":"Landmann, M., Rauls, E., Schmidt, W. G., Röppischer, M., Cobet, C., Esser, N., Schupp, T., As, D. J., Feneberg, M., &#38; Goldhahn, R. (2013). Transition energies and direct-indirect band gap crossing in zinc-blende AlxGa1−xN. <i>Physical Review B</i>, <i>87</i>(19). <a href=\"https://doi.org/10.1103/physrevb.87.195210\">https://doi.org/10.1103/physrevb.87.195210</a>"},"user_id":"14931","publication_status":"published","doi":"10.1103/physrevb.87.195210","intvolume":"        87","title":"Transition energies and direct-indirect band gap crossing in zinc-blende AlxGa1−xN","author":[{"last_name":"Landmann","full_name":"Landmann, M.","first_name":"M."},{"last_name":"Rauls","full_name":"Rauls, E.","first_name":"E."},{"last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","orcid":"0000-0002-2717-5076"},{"last_name":"Röppischer","full_name":"Röppischer, Marcus","first_name":"Marcus"},{"full_name":"Cobet, Christoph","first_name":"Christoph","last_name":"Cobet"},{"full_name":"Esser, Norbert","first_name":"Norbert","last_name":"Esser"},{"last_name":"Schupp","full_name":"Schupp, Thorsten","first_name":"Thorsten"},{"full_name":"As, Donat J.","first_name":"Donat J.","last_name":"As","id":"14","orcid":"0000-0003-1121-3565"},{"full_name":"Feneberg, Martin","first_name":"Martin","last_name":"Feneberg"},{"first_name":"Rüdiger","full_name":"Goldhahn, Rüdiger","last_name":"Goldhahn"}]},{"user_id":"16199","title":"Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"doi":"10.1002/jcc.23449","page":"1-17","volume":35,"issue":"1-2","publication":"Journal of Computational Chemistry","type":"journal_article","citation":{"chicago":"Jesser, Anton, Martin Rohrmüller, Wolf Gero Schmidt, and Sonja Herres-Pawlis. “Geometrical and Optical Benchmarking of Copper Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory†.” <i>Journal of Computational Chemistry</i> 35, no. 1–2 (2013): 1–17. <a href=\"https://doi.org/10.1002/jcc.23449\">https://doi.org/10.1002/jcc.23449</a>.","ieee":"A. Jesser, M. Rohrmüller, W. G. Schmidt, and S. Herres-Pawlis, “Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†,” <i>Journal of Computational Chemistry</i>, vol. 35, no. 1–2, pp. 1–17, 2013, doi: <a href=\"https://doi.org/10.1002/jcc.23449\">10.1002/jcc.23449</a>.","ama":"Jesser A, Rohrmüller M, Schmidt WG, Herres-Pawlis S. Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†. <i>Journal of Computational Chemistry</i>. 2013;35(1-2):1-17. doi:<a href=\"https://doi.org/10.1002/jcc.23449\">10.1002/jcc.23449</a>","apa":"Jesser, A., Rohrmüller, M., Schmidt, W. G., &#38; Herres-Pawlis, S. (2013). Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†. <i>Journal of Computational Chemistry</i>, <i>35</i>(1–2), 1–17. <a href=\"https://doi.org/10.1002/jcc.23449\">https://doi.org/10.1002/jcc.23449</a>","short":"A. Jesser, M. Rohrmüller, W.G. Schmidt, S. Herres-Pawlis, Journal of Computational Chemistry 35 (2013) 1–17.","mla":"Jesser, Anton, et al. “Geometrical and Optical Benchmarking of Copper Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory†.” <i>Journal of Computational Chemistry</i>, vol. 35, no. 1–2, 2013, pp. 1–17, doi:<a href=\"https://doi.org/10.1002/jcc.23449\">10.1002/jcc.23449</a>.","bibtex":"@article{Jesser_Rohrmüller_Schmidt_Herres-Pawlis_2013, title={Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†}, volume={35}, DOI={<a href=\"https://doi.org/10.1002/jcc.23449\">10.1002/jcc.23449</a>}, number={1–2}, journal={Journal of Computational Chemistry}, author={Jesser, Anton and Rohrmüller, Martin and Schmidt, Wolf Gero and Herres-Pawlis, Sonja}, year={2013}, pages={1–17} }"},"publication_status":"published","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"2"},{"_id":"27"}],"author":[{"last_name":"Jesser","first_name":"Anton","full_name":"Jesser, Anton"},{"full_name":"Rohrmüller, Martin","first_name":"Martin","last_name":"Rohrmüller"},{"full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"first_name":"Sonja","full_name":"Herres-Pawlis, Sonja","last_name":"Herres-Pawlis"}],"intvolume":"        35","_id":"13517","date_updated":"2025-12-05T10:27:51Z","date_created":"2019-09-30T13:44:05Z","publication_identifier":{"issn":["0192-8651"]},"year":"2013","language":[{"iso":"eng"}],"status":"public"},{"date_updated":"2025-12-05T10:30:36Z","_id":"13521","volume":88,"year":"2013","type":"journal_article","publication_identifier":{"issn":["1098-0121","1550-235X"]},"language":[{"iso":"eng"}],"status":"public","publication":"Physical Review B","date_created":"2019-09-30T13:54:23Z","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"citation":{"mla":"Sanna, S., et al. “Charge Compensation by Long-Period Reconstruction in Strongly Polar Lithium Niobate Surfaces.” <i>Physical Review B</i>, vol. 88, 2013, doi:<a href=\"https://doi.org/10.1103/physrevb.88.115422\">10.1103/physrevb.88.115422</a>.","bibtex":"@article{Sanna_Rode_Hölscher_Klassen_Marutschke_Kobayashi_Yamada_Schmidt_Kühnle_2013, title={Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces}, volume={88}, DOI={<a href=\"https://doi.org/10.1103/physrevb.88.115422\">10.1103/physrevb.88.115422</a>}, journal={Physical Review B}, author={Sanna, S. and Rode, S. and Hölscher, R. and Klassen, S. and Marutschke, C. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero and Kühnle, A.}, year={2013} }","short":"S. Sanna, S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi, H. Yamada, W.G. Schmidt, A. Kühnle, Physical Review B 88 (2013).","ama":"Sanna S, Rode S, Hölscher R, et al. Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces. <i>Physical Review B</i>. 2013;88. doi:<a href=\"https://doi.org/10.1103/physrevb.88.115422\">10.1103/physrevb.88.115422</a>","apa":"Sanna, S., Rode, S., Hölscher, R., Klassen, S., Marutschke, C., Kobayashi, K., Yamada, H., Schmidt, W. G., &#38; Kühnle, A. (2013). Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces. <i>Physical Review B</i>, <i>88</i>. <a href=\"https://doi.org/10.1103/physrevb.88.115422\">https://doi.org/10.1103/physrevb.88.115422</a>","chicago":"Sanna, S., S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi, H. Yamada, Wolf Gero Schmidt, and A. Kühnle. “Charge Compensation by Long-Period Reconstruction in Strongly Polar Lithium Niobate Surfaces.” <i>Physical Review B</i> 88 (2013). <a href=\"https://doi.org/10.1103/physrevb.88.115422\">https://doi.org/10.1103/physrevb.88.115422</a>.","ieee":"S. Sanna <i>et al.</i>, “Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces,” <i>Physical Review B</i>, vol. 88, 2013, doi: <a href=\"https://doi.org/10.1103/physrevb.88.115422\">10.1103/physrevb.88.115422</a>."},"user_id":"16199","publication_status":"published","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"intvolume":"        88","doi":"10.1103/physrevb.88.115422","title":"Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces","author":[{"first_name":"S.","full_name":"Sanna, S.","last_name":"Sanna"},{"first_name":"S.","full_name":"Rode, S.","last_name":"Rode"},{"first_name":"R.","full_name":"Hölscher, R.","last_name":"Hölscher"},{"last_name":"Klassen","full_name":"Klassen, S.","first_name":"S."},{"last_name":"Marutschke","first_name":"C.","full_name":"Marutschke, C."},{"last_name":"Kobayashi","first_name":"K.","full_name":"Kobayashi, K."},{"last_name":"Yamada","full_name":"Yamada, H.","first_name":"H."},{"orcid":"0000-0002-2717-5076","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","id":"468","last_name":"Schmidt"},{"full_name":"Kühnle, A.","first_name":"A.","last_name":"Kühnle"}]},{"intvolume":"        23","doi":"10.1002/adfm.201202808","title":"Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations","author":[{"first_name":"Roberto C.","full_name":"Longo, Roberto C.","last_name":"Longo"},{"last_name":"Cho","full_name":"Cho, Kyeongjae","first_name":"Kyeongjae"},{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","last_name":"Schmidt","orcid":"0000-0002-2717-5076"},{"last_name":"Chabal","first_name":"Yves J.","full_name":"Chabal, Yves J."},{"full_name":"Thissen, Peter","first_name":"Peter","last_name":"Thissen"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"citation":{"ama":"Longo RC, Cho K, Schmidt WG, Chabal YJ, Thissen P. Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations. <i>Advanced Functional Materials</i>. 2013;23:3471-3477. doi:<a href=\"https://doi.org/10.1002/adfm.201202808\">10.1002/adfm.201202808</a>","apa":"Longo, R. C., Cho, K., Schmidt, W. G., Chabal, Y. J., &#38; Thissen, P. (2013). Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations. <i>Advanced Functional Materials</i>, <i>23</i>, 3471–3477. <a href=\"https://doi.org/10.1002/adfm.201202808\">https://doi.org/10.1002/adfm.201202808</a>","ieee":"R. C. Longo, K. Cho, W. G. Schmidt, Y. J. Chabal, and P. Thissen, “Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations,” <i>Advanced Functional Materials</i>, vol. 23, pp. 3471–3477, 2013, doi: <a href=\"https://doi.org/10.1002/adfm.201202808\">10.1002/adfm.201202808</a>.","chicago":"Longo, Roberto C., Kyeongjae Cho, Wolf Gero Schmidt, Yves J. Chabal, and Peter Thissen. “Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations.” <i>Advanced Functional Materials</i> 23 (2013): 3471–77. <a href=\"https://doi.org/10.1002/adfm.201202808\">https://doi.org/10.1002/adfm.201202808</a>.","bibtex":"@article{Longo_Cho_Schmidt_Chabal_Thissen_2013, title={Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations}, volume={23}, DOI={<a href=\"https://doi.org/10.1002/adfm.201202808\">10.1002/adfm.201202808</a>}, journal={Advanced Functional Materials}, author={Longo, Roberto C. and Cho, Kyeongjae and Schmidt, Wolf Gero and Chabal, Yves J. and Thissen, Peter}, year={2013}, pages={3471–3477} }","mla":"Longo, Roberto C., et al. “Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional Theory Calculations.” <i>Advanced Functional Materials</i>, vol. 23, 2013, pp. 3471–77, doi:<a href=\"https://doi.org/10.1002/adfm.201202808\">10.1002/adfm.201202808</a>.","short":"R.C. Longo, K. Cho, W.G. Schmidt, Y.J. Chabal, P. Thissen, Advanced Functional Materials 23 (2013) 3471–3477."},"publication_status":"published","user_id":"16199","language":[{"iso":"eng"}],"type":"journal_article","publication_identifier":{"issn":["1616-301X"]},"year":"2013","status":"public","date_created":"2019-09-30T14:07:28Z","publication":"Advanced Functional Materials","date_updated":"2025-12-05T10:29:35Z","_id":"13523","page":"3471-3477","volume":23},{"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"27"}],"user_id":"16199","publication_status":"published","citation":{"mla":"Aldahhak, Hazem, et al. “Adsorption of PTCDA on NaCl(100) and KCl(100).” <i>Surface Science</i>, vol. 617, 2013, pp. 242–48, doi:<a href=\"https://doi.org/10.1016/j.susc.2013.08.003\">10.1016/j.susc.2013.08.003</a>.","bibtex":"@article{Aldahhak_Schmidt_Rauls_2013, title={Adsorption of PTCDA on NaCl(100) and KCl(100)}, volume={617}, DOI={<a href=\"https://doi.org/10.1016/j.susc.2013.08.003\">10.1016/j.susc.2013.08.003</a>}, journal={Surface Science}, author={Aldahhak, Hazem and Schmidt, Wolf Gero and Rauls, E.}, year={2013}, pages={242–248} }","short":"H. 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