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Zhang, W. Ruan, J. Yu, L. Gao, H. Berger, L. Forró, K. Watanabe, T. Taniguchi, A. Ranjbar, R.V. Belosludov, T. Kühne, M.S. Bahramy, X. 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Schulze Lammers <i>et al.</i>, “Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks,” <i>ACS Nano</i>, vol. 16, no. 9, pp. 14284–14296, 2022, doi: <a href=\"https://doi.org/10.1021/acsnano.2c04439\">10.1021/acsnano.2c04439</a>.","apa":"Schulze Lammers, B., López-Salas, N., Stein Siena, J., Mirhosseini, H., Yesilpinar, D., Heske, J. J., Kühne, T., Fuchs, H., Antonietti, M., &#38; Mönig, H. (2022). Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks. <i>ACS Nano</i>, <i>16</i>(9), 14284–14296. <a href=\"https://doi.org/10.1021/acsnano.2c04439\">https://doi.org/10.1021/acsnano.2c04439</a>","mla":"Schulze Lammers, Bertram, et al. “Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks.” <i>ACS Nano</i>, vol. 16, no. 9, American Chemical Society (ACS), 2022, pp. 14284–96, doi:<a href=\"https://doi.org/10.1021/acsnano.2c04439\">10.1021/acsnano.2c04439</a>.","short":"B. Schulze Lammers, N. López-Salas, J. Stein Siena, H. Mirhosseini, D. Yesilpinar, J.J. Heske, T. Kühne, H. Fuchs, M. Antonietti, H. Mönig, ACS Nano 16 (2022) 14284–14296.","bibtex":"@article{Schulze Lammers_López-Salas_Stein Siena_Mirhosseini_Yesilpinar_Heske_Kühne_Fuchs_Antonietti_Mönig_2022, title={Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks}, volume={16}, DOI={<a href=\"https://doi.org/10.1021/acsnano.2c04439\">10.1021/acsnano.2c04439</a>}, number={9}, journal={ACS Nano}, publisher={American Chemical Society (ACS)}, author={Schulze Lammers, Bertram and López-Salas, Nieves and Stein Siena, Julya and Mirhosseini, Hossein and Yesilpinar, Damla and Heske, Julian Joachim and Kühne, Thomas and Fuchs, Harald and Antonietti, Markus and Mönig, Harry}, year={2022}, pages={14284–14296} }"},"intvolume":"        16","page":"14284-14296"},{"language":[{"iso":"eng"}],"user_id":"71051","department":[{"_id":"613"}],"_id":"33678","status":"public","abstract":[{"text":"<jats:p>Accelerated chemistry at the interface with water has received increasing attention. The mechanisms behind the enhanced reactivity On-Water are not yet clear. In this work we use a Langevin scheme in the spirit of second generation Car-Parrinello to accelerate the second-order density functional Tight-Binding (DFTB2) method in order to investigate the free energy of two Diels-Alder reaction On-Water: the cycloaddition between cyclopentadiene and ethyl cinnamate or thionocinnamate. The only difference between the reactants is the substitution of a carbonyl oxygen for a thiocarbonyl sulfur, making possible the distinction between them as strong and weak hydrogen-bond acceptors. We find a different mechanism for the reaction during the transition states and uncover the role of hydrogen bonds along with the reaction path. Our results suggest that acceleration of Diels-Alder reactions do not arise from an increased number of hydrogen bonds at the transition state and charge transfer plays a significant role. However, the presence of water and hydrogen-bonds is determinant for the catalysis of these reactions.</jats:p>","lang":"eng"}],"type":"preprint","title":"On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations.","date_created":"2022-10-11T08:11:10Z","author":[{"full_name":"Henao Aristizabal, Andres","id":"67235","last_name":"Henao Aristizabal","first_name":"Andres"},{"first_name":"Yomna","full_name":"Gohar, Yomna","last_name":"Gohar"},{"first_name":"René","last_name":"Whilhelm","full_name":"Whilhelm, René"},{"full_name":"Kühne, Thomas","id":"49079","last_name":"Kühne","first_name":"Thomas"}],"date_updated":"2022-10-11T08:11:23Z","publisher":"American Chemical Society (ACS)","citation":{"apa":"Henao Aristizabal, A., Gohar, Y., Whilhelm, R., &#38; Kühne, T. (2022). <i>On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations.</i> American Chemical Society (ACS).","bibtex":"@article{Henao Aristizabal_Gohar_Whilhelm_Kühne_2022, title={On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations.}, publisher={American Chemical Society (ACS)}, author={Henao Aristizabal, Andres and Gohar, Yomna and Whilhelm, René and Kühne, Thomas}, year={2022} }","short":"A. Henao Aristizabal, Y. Gohar, R. Whilhelm, T. Kühne, (2022).","mla":"Henao Aristizabal, Andres, et al. <i>On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations.</i> American Chemical Society (ACS), 2022.","chicago":"Henao Aristizabal, Andres, Yomna Gohar, René Whilhelm, and Thomas Kühne. “On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations.” American Chemical Society (ACS), 2022.","ieee":"A. Henao Aristizabal, Y. Gohar, R. Whilhelm, and T. Kühne, “On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations.” American Chemical Society (ACS), 2022.","ama":"Henao Aristizabal A, Gohar Y, Whilhelm R, Kühne T. On the Role of Hydrogen Bond Strength and Charge Transfer of a Diels-Alder Reaction On-Water: Semiempirical and Free Energy Calculations. Published online 2022."},"year":"2022","publication_status":"published"},{"user_id":"71051","department":[{"_id":"613"}],"_id":"33680","language":[{"iso":"eng"}],"article_number":"144106","type":"journal_article","publication":"Physical Review B","status":"public","date_created":"2022-10-11T08:13:47Z","author":[{"first_name":"Ehsan Rahmatizad","last_name":"Khajehpasha","full_name":"Khajehpasha, Ehsan Rahmatizad"},{"first_name":"Jonas A.","last_name":"Finkler","full_name":"Finkler, Jonas A."},{"first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079"},{"first_name":"Alireza","id":"77282","full_name":"Ghasemi, Alireza","last_name":"Ghasemi"}],"volume":105,"publisher":"American Physical Society (APS)","date_updated":"2022-10-11T08:14:01Z","doi":"10.1103/physrevb.105.144106","title":"CENT2: Improved charge equilibration via neural network technique","issue":"14","publication_status":"published","publication_identifier":{"issn":["2469-9950","2469-9969"]},"citation":{"short":"E.R. Khajehpasha, J.A. Finkler, T. Kühne, A. Ghasemi, Physical Review B 105 (2022).","mla":"Khajehpasha, Ehsan Rahmatizad, et al. “CENT2: Improved Charge Equilibration via Neural Network Technique.” <i>Physical Review B</i>, vol. 105, no. 14, 144106, American Physical Society (APS), 2022, doi:<a href=\"https://doi.org/10.1103/physrevb.105.144106\">10.1103/physrevb.105.144106</a>.","bibtex":"@article{Khajehpasha_Finkler_Kühne_Ghasemi_2022, title={CENT2: Improved charge equilibration via neural network technique}, volume={105}, DOI={<a href=\"https://doi.org/10.1103/physrevb.105.144106\">10.1103/physrevb.105.144106</a>}, number={14144106}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Khajehpasha, Ehsan Rahmatizad and Finkler, Jonas A. and Kühne, Thomas and Ghasemi, Alireza}, year={2022} }","apa":"Khajehpasha, E. R., Finkler, J. A., Kühne, T., &#38; Ghasemi, A. (2022). CENT2: Improved charge equilibration via neural network technique. <i>Physical Review B</i>, <i>105</i>(14), Article 144106. <a href=\"https://doi.org/10.1103/physrevb.105.144106\">https://doi.org/10.1103/physrevb.105.144106</a>","ama":"Khajehpasha ER, Finkler JA, Kühne T, Ghasemi A. CENT2: Improved charge equilibration via neural network technique. <i>Physical Review B</i>. 2022;105(14). doi:<a href=\"https://doi.org/10.1103/physrevb.105.144106\">10.1103/physrevb.105.144106</a>","chicago":"Khajehpasha, Ehsan Rahmatizad, Jonas A. Finkler, Thomas Kühne, and Alireza Ghasemi. “CENT2: Improved Charge Equilibration via Neural Network Technique.” <i>Physical Review B</i> 105, no. 14 (2022). <a href=\"https://doi.org/10.1103/physrevb.105.144106\">https://doi.org/10.1103/physrevb.105.144106</a>.","ieee":"E. R. Khajehpasha, J. A. Finkler, T. Kühne, and A. Ghasemi, “CENT2: Improved charge equilibration via neural network technique,” <i>Physical Review B</i>, vol. 105, no. 14, Art. no. 144106, 2022, doi: <a href=\"https://doi.org/10.1103/physrevb.105.144106\">10.1103/physrevb.105.144106</a>."},"intvolume":"       105","year":"2022"},{"keyword":["General Materials Science"],"language":[{"iso":"eng"}],"publication":"ACS Applied Materials &amp; Interfaces","title":"Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se<sub>2</sub> Solar Cell Absorbers","publisher":"American Chemical Society (ACS)","date_created":"2022-10-11T08:18:45Z","year":"2022","issue":"29","_id":"33686","user_id":"71051","department":[{"_id":"613"}],"status":"public","type":"journal_article","doi":"10.1021/acsami.2c08257","date_updated":"2022-10-11T08:19:07Z","author":[{"first_name":"Amala","full_name":"Elizabeth, Amala","last_name":"Elizabeth"},{"last_name":"Sahoo","full_name":"Sahoo, Sudhir K.","first_name":"Sudhir K."},{"last_name":"Phirke","full_name":"Phirke, Himanshu","first_name":"Himanshu"},{"full_name":"Kodalle, Tim","last_name":"Kodalle","first_name":"Tim"},{"last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079","first_name":"Thomas"},{"first_name":"Jean-Nicolas","last_name":"Audinot","full_name":"Audinot, Jean-Nicolas"},{"last_name":"Wirtz","full_name":"Wirtz, Tom","first_name":"Tom"},{"first_name":"Alex","full_name":"Redinger, Alex","last_name":"Redinger"},{"last_name":"Kaufmann","full_name":"Kaufmann, Christian A.","first_name":"Christian A."},{"first_name":"Hossein","last_name":"Mirhosseini","orcid":"0000-0001-6179-1545","id":"71051","full_name":"Mirhosseini, Hossein"},{"full_name":"Mönig, Harry","last_name":"Mönig","first_name":"Harry"}],"volume":14,"citation":{"bibtex":"@article{Elizabeth_Sahoo_Phirke_Kodalle_Kühne_Audinot_Wirtz_Redinger_Kaufmann_Mirhosseini_et al._2022, title={Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se<sub>2</sub> Solar Cell Absorbers}, volume={14}, DOI={<a href=\"https://doi.org/10.1021/acsami.2c08257\">10.1021/acsami.2c08257</a>}, number={29}, journal={ACS Applied Materials &#38;amp; Interfaces}, publisher={American Chemical Society (ACS)}, author={Elizabeth, Amala and Sahoo, Sudhir K. and Phirke, Himanshu and Kodalle, Tim and Kühne, Thomas and Audinot, Jean-Nicolas and Wirtz, Tom and Redinger, Alex and Kaufmann, Christian A. and Mirhosseini, Hossein and et al.}, year={2022}, pages={34101–34112} }","mla":"Elizabeth, Amala, et al. “Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se<sub>2</sub> Solar Cell Absorbers.” <i>ACS Applied Materials &#38;amp; Interfaces</i>, vol. 14, no. 29, American Chemical Society (ACS), 2022, pp. 34101–12, doi:<a href=\"https://doi.org/10.1021/acsami.2c08257\">10.1021/acsami.2c08257</a>.","short":"A. Elizabeth, S.K. Sahoo, H. Phirke, T. Kodalle, T. Kühne, J.-N. Audinot, T. Wirtz, A. Redinger, C.A. Kaufmann, H. Mirhosseini, H. Mönig, ACS Applied Materials &#38;amp; Interfaces 14 (2022) 34101–34112.","apa":"Elizabeth, A., Sahoo, S. K., Phirke, H., Kodalle, T., Kühne, T., Audinot, J.-N., Wirtz, T., Redinger, A., Kaufmann, C. A., Mirhosseini, H., &#38; Mönig, H. (2022). Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se<sub>2</sub> Solar Cell Absorbers. <i>ACS Applied Materials &#38;amp; Interfaces</i>, <i>14</i>(29), 34101–34112. <a href=\"https://doi.org/10.1021/acsami.2c08257\">https://doi.org/10.1021/acsami.2c08257</a>","ieee":"A. Elizabeth <i>et al.</i>, “Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se<sub>2</sub> Solar Cell Absorbers,” <i>ACS Applied Materials &#38;amp; Interfaces</i>, vol. 14, no. 29, pp. 34101–34112, 2022, doi: <a href=\"https://doi.org/10.1021/acsami.2c08257\">10.1021/acsami.2c08257</a>.","chicago":"Elizabeth, Amala, Sudhir K. Sahoo, Himanshu Phirke, Tim Kodalle, Thomas Kühne, Jean-Nicolas Audinot, Tom Wirtz, et al. “Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se<sub>2</sub> Solar Cell Absorbers.” <i>ACS Applied Materials &#38;amp; Interfaces</i> 14, no. 29 (2022): 34101–12. <a href=\"https://doi.org/10.1021/acsami.2c08257\">https://doi.org/10.1021/acsami.2c08257</a>.","ama":"Elizabeth A, Sahoo SK, Phirke H, et al. Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se<sub>2</sub> Solar Cell Absorbers. <i>ACS Applied Materials &#38;amp; Interfaces</i>. 2022;14(29):34101-34112. doi:<a href=\"https://doi.org/10.1021/acsami.2c08257\">10.1021/acsami.2c08257</a>"},"intvolume":"        14","page":"34101-34112","publication_status":"published","publication_identifier":{"issn":["1944-8244","1944-8252"]}},{"user_id":"71051","department":[{"_id":"613"}],"_id":"33689","language":[{"iso":"eng"}],"article_number":"2203954","keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"type":"journal_article","publication":"Advanced Materials","status":"public","date_created":"2022-10-11T08:21:08Z","author":[{"last_name":"Raghuwanshi","full_name":"Raghuwanshi, Mohit","first_name":"Mohit"},{"first_name":"Manjusha","last_name":"Chugh","full_name":"Chugh, Manjusha","id":"71511"},{"last_name":"Sozzi","full_name":"Sozzi, Giovanna","first_name":"Giovanna"},{"first_name":"Ana","full_name":"Kanevce, Ana","last_name":"Kanevce"},{"first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079"},{"first_name":"Hossein","id":"71051","full_name":"Mirhosseini, Hossein","orcid":"0000-0001-6179-1545","last_name":"Mirhosseini"},{"first_name":"Roland","last_name":"Wuerz","full_name":"Wuerz, Roland"},{"last_name":"Cojocaru‐Mirédin","full_name":"Cojocaru‐Mirédin, Oana","first_name":"Oana"}],"volume":34,"date_updated":"2022-10-11T08:21:29Z","publisher":"Wiley","doi":"10.1002/adma.202203954","title":"Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            <sub>2</sub>            Thin‐Film Solar Cells","issue":"37","publication_status":"published","publication_identifier":{"issn":["0935-9648","1521-4095"]},"citation":{"ama":"Raghuwanshi M, Chugh M, Sozzi G, et al. Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            <sub>2</sub>            Thin‐Film Solar Cells. <i>Advanced Materials</i>. 2022;34(37). doi:<a href=\"https://doi.org/10.1002/adma.202203954\">10.1002/adma.202203954</a>","chicago":"Raghuwanshi, Mohit, Manjusha Chugh, Giovanna Sozzi, Ana Kanevce, Thomas Kühne, Hossein Mirhosseini, Roland Wuerz, and Oana Cojocaru‐Mirédin. “Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            <sub>2</sub>            Thin‐Film Solar Cells.” <i>Advanced Materials</i> 34, no. 37 (2022). <a href=\"https://doi.org/10.1002/adma.202203954\">https://doi.org/10.1002/adma.202203954</a>.","ieee":"M. Raghuwanshi <i>et al.</i>, “Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            <sub>2</sub>            Thin‐Film Solar Cells,” <i>Advanced Materials</i>, vol. 34, no. 37, Art. no. 2203954, 2022, doi: <a href=\"https://doi.org/10.1002/adma.202203954\">10.1002/adma.202203954</a>.","mla":"Raghuwanshi, Mohit, et al. “Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            <sub>2</sub>            Thin‐Film Solar Cells.” <i>Advanced Materials</i>, vol. 34, no. 37, 2203954, Wiley, 2022, doi:<a href=\"https://doi.org/10.1002/adma.202203954\">10.1002/adma.202203954</a>.","bibtex":"@article{Raghuwanshi_Chugh_Sozzi_Kanevce_Kühne_Mirhosseini_Wuerz_Cojocaru‐Mirédin_2022, title={Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            <sub>2</sub>            Thin‐Film Solar Cells}, volume={34}, DOI={<a href=\"https://doi.org/10.1002/adma.202203954\">10.1002/adma.202203954</a>}, number={372203954}, journal={Advanced Materials}, publisher={Wiley}, author={Raghuwanshi, Mohit and Chugh, Manjusha and Sozzi, Giovanna and Kanevce, Ana and Kühne, Thomas and Mirhosseini, Hossein and Wuerz, Roland and Cojocaru‐Mirédin, Oana}, year={2022} }","short":"M. Raghuwanshi, M. Chugh, G. Sozzi, A. Kanevce, T. Kühne, H. Mirhosseini, R. Wuerz, O. Cojocaru‐Mirédin, Advanced Materials 34 (2022).","apa":"Raghuwanshi, M., Chugh, M., Sozzi, G., Kanevce, A., Kühne, T., Mirhosseini, H., Wuerz, R., &#38; Cojocaru‐Mirédin, O. (2022). Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            <sub>2</sub>            Thin‐Film Solar Cells. <i>Advanced Materials</i>, <i>34</i>(37), Article 2203954. <a href=\"https://doi.org/10.1002/adma.202203954\">https://doi.org/10.1002/adma.202203954</a>"},"intvolume":"        34","year":"2022"},{"status":"public","type":"journal_article","publication":"The Journal of Physical Chemistry C","language":[{"iso":"eng"}],"keyword":["Surfaces","Coatings and Films","Physical and Theoretical Chemistry","General Energy","Electronic","Optical and Magnetic Materials"],"user_id":"71051","department":[{"_id":"613"}],"_id":"33690","citation":{"apa":"Ibaceta-Jaña, J., Chugh, M., Novikov, A. S., Mirhosseini, H., Kühne, T., Szyszka, B., Wagner, M. R., &#38; Muydinov, R. (2022). Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds? <i>The Journal of Physical Chemistry C</i>, <i>126</i>(38), 16215–16226. <a href=\"https://doi.org/10.1021/acs.jpcc.2c02984\">https://doi.org/10.1021/acs.jpcc.2c02984</a>","short":"J. Ibaceta-Jaña, M. Chugh, A.S. Novikov, H. Mirhosseini, T. Kühne, B. Szyszka, M.R. Wagner, R. Muydinov, The Journal of Physical Chemistry C 126 (2022) 16215–16226.","bibtex":"@article{Ibaceta-Jaña_Chugh_Novikov_Mirhosseini_Kühne_Szyszka_Wagner_Muydinov_2022, title={Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?}, volume={126}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.2c02984\">10.1021/acs.jpcc.2c02984</a>}, number={38}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Ibaceta-Jaña, Josefa and Chugh, Manjusha and Novikov, Alexander S. and Mirhosseini, Hossein and Kühne, Thomas and Szyszka, Bernd and Wagner, Markus R. and Muydinov, Ruslan}, year={2022}, pages={16215–16226} }","mla":"Ibaceta-Jaña, Josefa, et al. “Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?” <i>The Journal of Physical Chemistry C</i>, vol. 126, no. 38, American Chemical Society (ACS), 2022, pp. 16215–26, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.2c02984\">10.1021/acs.jpcc.2c02984</a>.","ama":"Ibaceta-Jaña J, Chugh M, Novikov AS, et al. Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds? <i>The Journal of Physical Chemistry C</i>. 2022;126(38):16215-16226. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.2c02984\">10.1021/acs.jpcc.2c02984</a>","chicago":"Ibaceta-Jaña, Josefa, Manjusha Chugh, Alexander S. Novikov, Hossein Mirhosseini, Thomas Kühne, Bernd Szyszka, Markus R. Wagner, and Ruslan Muydinov. “Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?” <i>The Journal of Physical Chemistry C</i> 126, no. 38 (2022): 16215–26. <a href=\"https://doi.org/10.1021/acs.jpcc.2c02984\">https://doi.org/10.1021/acs.jpcc.2c02984</a>.","ieee":"J. Ibaceta-Jaña <i>et al.</i>, “Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?,” <i>The Journal of Physical Chemistry C</i>, vol. 126, no. 38, pp. 16215–16226, 2022, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.2c02984\">10.1021/acs.jpcc.2c02984</a>."},"page":"16215-16226","intvolume":"       126","year":"2022","issue":"38","publication_status":"published","publication_identifier":{"issn":["1932-7447","1932-7455"]},"doi":"10.1021/acs.jpcc.2c02984","title":"Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?","author":[{"first_name":"Josefa","last_name":"Ibaceta-Jaña","full_name":"Ibaceta-Jaña, Josefa"},{"last_name":"Chugh","id":"71511","full_name":"Chugh, Manjusha","first_name":"Manjusha"},{"first_name":"Alexander S.","last_name":"Novikov","full_name":"Novikov, Alexander S."},{"first_name":"Hossein","last_name":"Mirhosseini","orcid":"0000-0001-6179-1545","id":"71051","full_name":"Mirhosseini, Hossein"},{"first_name":"Thomas","id":"49079","full_name":"Kühne, Thomas","last_name":"Kühne"},{"first_name":"Bernd","full_name":"Szyszka, Bernd","last_name":"Szyszka"},{"last_name":"Wagner","full_name":"Wagner, Markus R.","first_name":"Markus R."},{"first_name":"Ruslan","full_name":"Muydinov, Ruslan","last_name":"Muydinov"}],"date_created":"2022-10-11T08:21:47Z","volume":126,"publisher":"American Chemical Society (ACS)","date_updated":"2022-10-11T08:22:03Z"},{"date_updated":"2022-10-11T08:16:47Z","publisher":"Elsevier BV","author":[{"first_name":"Enrico","full_name":"Lepre, Enrico","last_name":"Lepre"},{"first_name":"Julian Joachim","full_name":"Heske, Julian Joachim","id":"53238","last_name":"Heske"},{"first_name":"Michal","last_name":"Nowakowski","full_name":"Nowakowski, Michal"},{"first_name":"Ernesto","full_name":"Scoppola, Ernesto","last_name":"Scoppola"},{"full_name":"Zizak, Ivo","last_name":"Zizak","first_name":"Ivo"},{"first_name":"Tobias","last_name":"Heil","full_name":"Heil, Tobias"},{"first_name":"Thomas","id":"49079","full_name":"Kühne, Thomas","last_name":"Kühne"},{"last_name":"Antonietti","full_name":"Antonietti, Markus","first_name":"Markus"},{"first_name":"Nieves","full_name":"López-Salas, Nieves","last_name":"López-Salas"},{"first_name":"Josep","full_name":"Albero, Josep","last_name":"Albero"}],"date_created":"2022-10-11T08:16:30Z","volume":97,"title":"Ni-based electrocatalysts for unconventional CO2 reduction reaction to formic acid","doi":"10.1016/j.nanoen.2022.107191","publication_status":"published","publication_identifier":{"issn":["2211-2855"]},"year":"2022","citation":{"ieee":"E. Lepre <i>et al.</i>, “Ni-based electrocatalysts for unconventional CO2 reduction reaction to formic acid,” <i>Nano Energy</i>, vol. 97, Art. no. 107191, 2022, doi: <a href=\"https://doi.org/10.1016/j.nanoen.2022.107191\">10.1016/j.nanoen.2022.107191</a>.","chicago":"Lepre, Enrico, Julian Joachim Heske, Michal Nowakowski, Ernesto Scoppola, Ivo Zizak, Tobias Heil, Thomas Kühne, Markus Antonietti, Nieves López-Salas, and Josep Albero. “Ni-Based Electrocatalysts for Unconventional CO2 Reduction Reaction to Formic Acid.” <i>Nano Energy</i> 97 (2022). <a href=\"https://doi.org/10.1016/j.nanoen.2022.107191\">https://doi.org/10.1016/j.nanoen.2022.107191</a>.","ama":"Lepre E, Heske JJ, Nowakowski M, et al. Ni-based electrocatalysts for unconventional CO2 reduction reaction to formic acid. <i>Nano Energy</i>. 2022;97. doi:<a href=\"https://doi.org/10.1016/j.nanoen.2022.107191\">10.1016/j.nanoen.2022.107191</a>","apa":"Lepre, E., Heske, J. J., Nowakowski, M., Scoppola, E., Zizak, I., Heil, T., Kühne, T., Antonietti, M., López-Salas, N., &#38; Albero, J. (2022). Ni-based electrocatalysts for unconventional CO2 reduction reaction to formic acid. <i>Nano Energy</i>, <i>97</i>, Article 107191. <a href=\"https://doi.org/10.1016/j.nanoen.2022.107191\">https://doi.org/10.1016/j.nanoen.2022.107191</a>","bibtex":"@article{Lepre_Heske_Nowakowski_Scoppola_Zizak_Heil_Kühne_Antonietti_López-Salas_Albero_2022, title={Ni-based electrocatalysts for unconventional CO2 reduction reaction to formic acid}, volume={97}, DOI={<a href=\"https://doi.org/10.1016/j.nanoen.2022.107191\">10.1016/j.nanoen.2022.107191</a>}, number={107191}, journal={Nano Energy}, publisher={Elsevier BV}, author={Lepre, Enrico and Heske, Julian Joachim and Nowakowski, Michal and Scoppola, Ernesto and Zizak, Ivo and Heil, Tobias and Kühne, Thomas and Antonietti, Markus and López-Salas, Nieves and Albero, Josep}, year={2022} }","mla":"Lepre, Enrico, et al. “Ni-Based Electrocatalysts for Unconventional CO2 Reduction Reaction to Formic Acid.” <i>Nano Energy</i>, vol. 97, 107191, Elsevier BV, 2022, doi:<a href=\"https://doi.org/10.1016/j.nanoen.2022.107191\">10.1016/j.nanoen.2022.107191</a>.","short":"E. Lepre, J.J. Heske, M. Nowakowski, E. Scoppola, I. Zizak, T. Heil, T. Kühne, M. Antonietti, N. López-Salas, J. Albero, Nano Energy 97 (2022)."},"intvolume":"        97","_id":"33683","user_id":"71051","department":[{"_id":"613"}],"article_number":"107191","keyword":["Electrical and Electronic Engineering","General Materials Science","Renewable Energy","Sustainability and the Environment"],"language":[{"iso":"eng"}],"type":"journal_article","publication":"Nano Energy","status":"public"}]