[{"author":[{"last_name":"Wu","id":"30401","first_name":"Liang","full_name":"Wu, Liang"},{"id":"37144","last_name":"Scheytt","first_name":"J. Christoph","full_name":"Scheytt, J. Christoph"}],"intvolume":"        68","citation":{"ama":"Wu L, Scheytt JC. Analysis and Design of a Charge Sampler With 70-GHz 1-dB Bandwidth in 130-nm SiGe BiCMOS. <i>IEEE Transactions on Circuits and Systems I: Regular Papers</i>. 2021;68(9):3668-3681. doi:<a href=\"https://doi.org/10.1109/tcsi.2021.3094428\">10.1109/tcsi.2021.3094428</a>","apa":"Wu, L., &#38; Scheytt, J. C. (2021). Analysis and Design of a Charge Sampler With 70-GHz 1-dB Bandwidth in 130-nm SiGe BiCMOS. <i>IEEE Transactions on Circuits and Systems I: Regular Papers</i>, <i>68</i>(9), 3668–3681. <a href=\"https://doi.org/10.1109/tcsi.2021.3094428\">https://doi.org/10.1109/tcsi.2021.3094428</a>","ieee":"L. Wu and J. C. Scheytt, “Analysis and Design of a Charge Sampler With 70-GHz 1-dB Bandwidth in 130-nm SiGe BiCMOS,” <i>IEEE Transactions on Circuits and Systems I: Regular Papers</i>, vol. 68, no. 9, pp. 3668–3681, 2021, doi: <a href=\"https://doi.org/10.1109/tcsi.2021.3094428\">10.1109/tcsi.2021.3094428</a>.","chicago":"Wu, Liang, and J. Christoph Scheytt. “Analysis and Design of a Charge Sampler With 70-GHz 1-DB Bandwidth in 130-Nm SiGe BiCMOS.” <i>IEEE Transactions on Circuits and Systems I: Regular Papers</i> 68, no. 9 (2021): 3668–81. <a href=\"https://doi.org/10.1109/tcsi.2021.3094428\">https://doi.org/10.1109/tcsi.2021.3094428</a>.","bibtex":"@article{Wu_Scheytt_2021, title={Analysis and Design of a Charge Sampler With 70-GHz 1-dB Bandwidth in 130-nm SiGe BiCMOS}, volume={68}, DOI={<a href=\"https://doi.org/10.1109/tcsi.2021.3094428\">10.1109/tcsi.2021.3094428</a>}, number={9}, journal={IEEE Transactions on Circuits and Systems I: Regular Papers}, publisher={Institute of Electrical and Electronics Engineers (IEEE)}, author={Wu, Liang and Scheytt, J. Christoph}, year={2021}, pages={3668–3681} }","mla":"Wu, Liang, and J. Christoph Scheytt. “Analysis and Design of a Charge Sampler With 70-GHz 1-DB Bandwidth in 130-Nm SiGe BiCMOS.” <i>IEEE Transactions on Circuits and Systems I: Regular Papers</i>, vol. 68, no. 9, Institute of Electrical and Electronics Engineers (IEEE), 2021, pp. 3668–81, doi:<a href=\"https://doi.org/10.1109/tcsi.2021.3094428\">10.1109/tcsi.2021.3094428</a>.","short":"L. Wu, J.C. Scheytt, IEEE Transactions on Circuits and Systems I: Regular Papers 68 (2021) 3668–3681."},"publication_status":"published","department":[{"_id":"58"}],"related_material":{"link":[{"relation":"confirmation","url":"https://ieeexplore.ieee.org/document/9482511/authors#authors"}]},"date_created":"2022-01-10T13:51:36Z","publisher":"Institute of Electrical and Electronics Engineers (IEEE)","year":"2021","publication_identifier":{"issn":["1549-8328","1558-0806"]},"language":[{"iso":"eng"}],"status":"public","_id":"29210","date_updated":"2022-01-10T13:53:08Z","title":"Analysis and Design of a Charge Sampler With 70-GHz 1-dB Bandwidth in 130-nm SiGe BiCMOS","doi":"10.1109/tcsi.2021.3094428","abstract":[{"lang":"eng","text":"This paper investigates an ultra-broadband sampling technique based on charge sampling using an Integrate-and-Hold Circuit (IHC) and ultra-short integration times. The charge sampling technique is mathematically analyzed in detail and compared to conventional switched-capacitor sampling. The mathematical analysis allows to predict the sampler bandwidth as well as the degradation of sampling precision due to analog circuit impairments such as integrator gain error, integration capacitor leakage, hold-mode droop, thermal noise, and clock jitter. Furthermore, design, simulation, and measurement results of an ultra-broadband charge sampler IC in SiGe BiCMOS technology are presented. The charge sampler IC achieves a 1dB bandwidth of 70 GHz. A resolution of better than 5.9 effective number of bits (ENOB) is measured from 0 to 70 GHz at a sampling rate of 5 GS/s. The results suggest that charge sampling using an IHC is a viable concept for ultra-broadband sampling."}],"user_id":"15931","keyword":["Electrical and Electronic Engineering"],"publication":"IEEE Transactions on Circuits and Systems I: Regular Papers","type":"journal_article","page":"3668-3681","volume":68,"issue":"9"},{"user_id":"89037","keyword":["Economics and Econometrics","History"],"alternative_title":["Die Entwicklung von Messmethoden und ihre politische Dimension am Beispiel von Günter Schmölders’ Erfassung der Steuermoral"],"abstract":[{"text":"From the 1880s scientists developed methods to measure (dishonest) tax payment behaviour. The first part of this article provides an overview of these methods and their development. The second part enquires into the function of measuring methods in the societal discourse about (honest) tax payments. The tax morale research of Günter Schmölders, carried out in the 1950s and 1960s, is then examined as a case study. The focus of interest is on the political advice that Schmölders gave, as based on his empirical results, and on the ideal image of the citizen and society which underlay the scientific method.","lang":"eng"}],"doi":"10.1515/jbwg-2021-0017","title":"Steuerzahlverhalten quantifizieren","issue":"2","page":"473-503","volume":62,"type":"journal_article","quality_controlled":"1","publication":"Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook","department":[{"_id":"445"}],"citation":{"chicago":"Schönhärl, Korinna. “Steuerzahlverhalten quantifizieren.” <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i> 62, no. 2 (2021): 473–503. <a href=\"https://doi.org/10.1515/jbwg-2021-0017\">https://doi.org/10.1515/jbwg-2021-0017</a>.","ieee":"K. Schönhärl, “Steuerzahlverhalten quantifizieren,” <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i>, vol. 62, no. 2, pp. 473–503, 2021, doi: <a href=\"https://doi.org/10.1515/jbwg-2021-0017\">10.1515/jbwg-2021-0017</a>.","ama":"Schönhärl K. Steuerzahlverhalten quantifizieren. <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i>. 2021;62(2):473-503. doi:<a href=\"https://doi.org/10.1515/jbwg-2021-0017\">10.1515/jbwg-2021-0017</a>","apa":"Schönhärl, K. (2021). Steuerzahlverhalten quantifizieren. <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i>, <i>62</i>(2), 473–503. <a href=\"https://doi.org/10.1515/jbwg-2021-0017\">https://doi.org/10.1515/jbwg-2021-0017</a>","short":"K. Schönhärl, Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook 62 (2021) 473–503.","mla":"Schönhärl, Korinna. “Steuerzahlverhalten quantifizieren.” <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i>, vol. 62, no. 2, Walter de Gruyter GmbH, 2021, pp. 473–503, doi:<a href=\"https://doi.org/10.1515/jbwg-2021-0017\">10.1515/jbwg-2021-0017</a>.","bibtex":"@article{Schönhärl_2021, title={Steuerzahlverhalten quantifizieren}, volume={62}, DOI={<a href=\"https://doi.org/10.1515/jbwg-2021-0017\">10.1515/jbwg-2021-0017</a>}, number={2}, journal={Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook}, publisher={Walter de Gruyter GmbH}, author={Schönhärl, Korinna}, year={2021}, pages={473–503} }"},"publication_status":"published","intvolume":"        62","author":[{"full_name":"Schönhärl, Korinna","first_name":"Korinna","id":"89037","last_name":"Schönhärl","orcid":"0000-0002-7967-3261"}],"date_updated":"2022-01-11T08:54:18Z","_id":"29214","year":"2021","publication_identifier":{"issn":["2196-6842","0075-2800"]},"language":[{"iso":"ger"}],"status":"public","date_created":"2022-01-11T07:50:57Z","publisher":"Walter de Gruyter GmbH"},{"date_created":"2022-01-11T08:19:24Z","publisher":"Walter de Gruyter GmbH","language":[{"iso":"ger"}],"year":"2021","publication_identifier":{"issn":["2196-6842","0075-2800"]},"status":"public","_id":"29218","date_updated":"2022-01-11T08:53:53Z","author":[{"orcid":"0000-0002-7967-3261","first_name":"Korinna","full_name":"Schönhärl, Korinna","id":"89037","last_name":"Schönhärl"},{"full_name":"Spoerer, Mark","first_name":"Mark","last_name":"Spoerer"}],"intvolume":"        62","citation":{"chicago":"Schönhärl, Korinna, and Mark Spoerer. “Einleitung: Staatsfinanzen und Konflikt.” <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i> 62, no. 2 (2021): 291–302. <a href=\"https://doi.org/10.1515/jbwg-2021-0011\">https://doi.org/10.1515/jbwg-2021-0011</a>.","ieee":"K. Schönhärl and M. Spoerer, “Einleitung: Staatsfinanzen und Konflikt,” <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i>, vol. 62, no. 2, pp. 291–302, 2021, doi: <a href=\"https://doi.org/10.1515/jbwg-2021-0011\">10.1515/jbwg-2021-0011</a>.","apa":"Schönhärl, K., &#38; Spoerer, M. (2021). Einleitung: Staatsfinanzen und Konflikt. <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i>, <i>62</i>(2), 291–302. <a href=\"https://doi.org/10.1515/jbwg-2021-0011\">https://doi.org/10.1515/jbwg-2021-0011</a>","ama":"Schönhärl K, Spoerer M. Einleitung: Staatsfinanzen und Konflikt. <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i>. 2021;62(2):291-302. doi:<a href=\"https://doi.org/10.1515/jbwg-2021-0011\">10.1515/jbwg-2021-0011</a>","short":"K. Schönhärl, M. Spoerer, Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook 62 (2021) 291–302.","mla":"Schönhärl, Korinna, and Mark Spoerer. “Einleitung: Staatsfinanzen und Konflikt.” <i>Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook</i>, vol. 62, no. 2, Walter de Gruyter GmbH, 2021, pp. 291–302, doi:<a href=\"https://doi.org/10.1515/jbwg-2021-0011\">10.1515/jbwg-2021-0011</a>.","bibtex":"@article{Schönhärl_Spoerer_2021, title={Einleitung: Staatsfinanzen und Konflikt}, volume={62}, DOI={<a href=\"https://doi.org/10.1515/jbwg-2021-0011\">10.1515/jbwg-2021-0011</a>}, number={2}, journal={Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook}, publisher={Walter de Gruyter GmbH}, author={Schönhärl, Korinna and Spoerer, Mark}, year={2021}, pages={291–302} }"},"publication_status":"published","department":[{"_id":"445"}],"publication":"Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook","quality_controlled":"1","type":"journal_article","page":"291-302","volume":62,"issue":"2","title":"Einleitung: Staatsfinanzen und Konflikt","doi":"10.1515/jbwg-2021-0011","abstract":[{"lang":"eng","text":"The following issue arose from a section at the Congress for Economic and Social History in Regensburg in March 2019 and focuses on fiscal conflicts in Europe from the early modern period until today. Distributive fiscal conflicts are seen here as a probe into the past which can increase our understanding of historical social structures. Fiscal history is analysed as a central arena of the modern state. The introduction provides an overview of current research into fiscal history in Germany and of the contributions presented in this focus issue."}],"keyword":["Economics and Econometrics","History"],"user_id":"89037"},{"date_created":"2022-01-12T18:17:07Z","publication":"HMD Praxis der Wirtschaftsinformatik","publisher":"Springer Fachmedien Wiesbaden GmbH","language":[{"iso":"ger"}],"year":"2021","type":"journal_article","publication_identifier":{"issn":["1436-3011","2198-2775"]},"status":"public","_id":"29300","date_updated":"2022-01-12T18:20:43Z","title":"Ausgestaltungs- und Anwendungspotenziale von Virtual und Augmented Reality Technologien im Kontext von Coworking Spaces","author":[{"id":"88691","last_name":"Mirbabaie","full_name":"Mirbabaie, Milad","first_name":"Milad"},{"last_name":"Hofeditz","full_name":"Hofeditz, Lennart","first_name":"Lennart"},{"first_name":"Leon","full_name":"Schmid, Leon","last_name":"Schmid"}],"abstract":[{"text":"<jats:title>Zusammenfassung</jats:title><jats:p>Coworking Spaces (CSPs) sind geteilte Arbeitsplätze für Selbstständige, Freelancer*innen, Mikrounternehmen und Startups, die Isolation entgegenwirken und zum interdisziplinären Wissensaustausch anregen können. Jedoch existieren auch Barrieren, die Nutzer*innen davon abhalten, zu anderen Coworker*innen Kontakt aufzunehmen, da oft unklar ist, wann und ob jemand zum kreativen Austausch oder zum Anbieten von Hilfe bereit ist. Durch die Covid-19 Pandemie wurde die Unsicherheit bei der gegenseitigen Kontaktaufnahme noch weiter erschwert und viele CSPs mussten zeitweise schließen. Um Barrieren bei der Kontaktaufnahme zu reduzieren und die interdisziplinäre Zusammenarbeit zu fördern, können Informations- und Kommunikationstechnologien eingesetzt werden. Virtual Reality (VR) und Augmented Reality (AR) sind Technologien, die sich durch einen besonders hohen Grad an Immersion und sozialer Präsenz auszeichnen. Deshalb zeigen wir in diesem Beitrag, wie VR- und AR-Technologien gezielt eingesetzt werden können, um den interdisziplinären Wissensaustausch und Zusammenarbeit sowohl in CSPs als auch ortsunabhängig zu fördern. Dazu präsentieren wir positive Effekte, die durch den Einsatz einer der beiden Technologien im Zusammenhang mit CSPs erzielt werden können und leiten konkrete Gestaltungsempfehlungen für Anwendungsentwickler*innen, Unternehmen sowie Betreiber*innen von CSPs ab. Diese Gestaltungsempfehlungen basieren sowohl auf den neuesten Erkenntnissen aus der Fachliteratur als auch auf Interviews mit Expert*innen aus Forschung und Praxis mit Erfahrung im Bereich CSPs, VR und AR. Unsere Anwendungsszenarien können Entwickler*innen, Unternehmen und Betreiber*innen von CSPs als Grundlage dienen, vom Einsatz beider Technologien zu profitieren.</jats:p>","lang":"eng"}],"doi":"10.1365/s40702-021-00818-9","citation":{"bibtex":"@article{Mirbabaie_Hofeditz_Schmid_2021, title={Ausgestaltungs- und Anwendungspotenziale von Virtual und Augmented Reality Technologien im Kontext von Coworking Spaces}, DOI={<a href=\"https://doi.org/10.1365/s40702-021-00818-9\">10.1365/s40702-021-00818-9</a>}, journal={HMD Praxis der Wirtschaftsinformatik}, publisher={Springer Fachmedien Wiesbaden GmbH}, author={Mirbabaie, Milad and Hofeditz, Lennart and Schmid, Leon}, year={2021} }","mla":"Mirbabaie, Milad, et al. “Ausgestaltungs- und Anwendungspotenziale von Virtual und Augmented Reality Technologien im Kontext von Coworking Spaces.” <i>HMD Praxis der Wirtschaftsinformatik</i>, Springer Fachmedien Wiesbaden GmbH, 2021, doi:<a href=\"https://doi.org/10.1365/s40702-021-00818-9\">10.1365/s40702-021-00818-9</a>.","short":"M. Mirbabaie, L. Hofeditz, L. Schmid, HMD Praxis der Wirtschaftsinformatik (2021).","ama":"Mirbabaie M, Hofeditz L, Schmid L. Ausgestaltungs- und Anwendungspotenziale von Virtual und Augmented Reality Technologien im Kontext von Coworking Spaces. <i>HMD Praxis der Wirtschaftsinformatik</i>. Published online 2021. doi:<a href=\"https://doi.org/10.1365/s40702-021-00818-9\">10.1365/s40702-021-00818-9</a>","apa":"Mirbabaie, M., Hofeditz, L., &#38; Schmid, L. (2021). Ausgestaltungs- und Anwendungspotenziale von Virtual und Augmented Reality Technologien im Kontext von Coworking Spaces. <i>HMD Praxis der Wirtschaftsinformatik</i>. <a href=\"https://doi.org/10.1365/s40702-021-00818-9\">https://doi.org/10.1365/s40702-021-00818-9</a>","ieee":"M. Mirbabaie, L. Hofeditz, and L. Schmid, “Ausgestaltungs- und Anwendungspotenziale von Virtual und Augmented Reality Technologien im Kontext von Coworking Spaces,” <i>HMD Praxis der Wirtschaftsinformatik</i>, 2021, doi: <a href=\"https://doi.org/10.1365/s40702-021-00818-9\">10.1365/s40702-021-00818-9</a>.","chicago":"Mirbabaie, Milad, Lennart Hofeditz, and Leon Schmid. “Ausgestaltungs- und Anwendungspotenziale von Virtual und Augmented Reality Technologien im Kontext von Coworking Spaces.” <i>HMD Praxis der Wirtschaftsinformatik</i>, 2021. <a href=\"https://doi.org/10.1365/s40702-021-00818-9\">https://doi.org/10.1365/s40702-021-00818-9</a>."},"keyword":["General Earth and Planetary Sciences","General Environmental Science"],"publication_status":"published","user_id":"88831","department":[{"_id":"646"}]},{"citation":{"mla":"Fromm, Jennifer, et al. “Affordance-Experimentation: Eine Fallstudie zur Entwicklung von Virtual-Reality-Anwendungsfällen im Unternehmenskontext.” <i>HMD Praxis der Wirtschaftsinformatik</i>, Springer Fachmedien Wiesbaden GmbH, 2021, doi:<a href=\"https://doi.org/10.1365/s40702-021-00828-7\">10.1365/s40702-021-00828-7</a>.","bibtex":"@article{Fromm_Slawinski_Mirbabaie_2021, title={Affordance-Experimentation: Eine Fallstudie zur Entwicklung von Virtual-Reality-Anwendungsfällen im Unternehmenskontext}, DOI={<a href=\"https://doi.org/10.1365/s40702-021-00828-7\">10.1365/s40702-021-00828-7</a>}, journal={HMD Praxis der Wirtschaftsinformatik}, publisher={Springer Fachmedien Wiesbaden GmbH}, author={Fromm, Jennifer and Slawinski, Elena and Mirbabaie, Milad}, year={2021} }","short":"J. Fromm, E. Slawinski, M. Mirbabaie, HMD Praxis der Wirtschaftsinformatik (2021).","ama":"Fromm J, Slawinski E, Mirbabaie M. Affordance-Experimentation: Eine Fallstudie zur Entwicklung von Virtual-Reality-Anwendungsfällen im Unternehmenskontext. <i>HMD Praxis der Wirtschaftsinformatik</i>. Published online 2021. doi:<a href=\"https://doi.org/10.1365/s40702-021-00828-7\">10.1365/s40702-021-00828-7</a>","apa":"Fromm, J., Slawinski, E., &#38; Mirbabaie, M. (2021). Affordance-Experimentation: Eine Fallstudie zur Entwicklung von Virtual-Reality-Anwendungsfällen im Unternehmenskontext. <i>HMD Praxis der Wirtschaftsinformatik</i>. <a href=\"https://doi.org/10.1365/s40702-021-00828-7\">https://doi.org/10.1365/s40702-021-00828-7</a>","chicago":"Fromm, Jennifer, Elena Slawinski, and Milad Mirbabaie. “Affordance-Experimentation: Eine Fallstudie zur Entwicklung von Virtual-Reality-Anwendungsfällen im Unternehmenskontext.” <i>HMD Praxis der Wirtschaftsinformatik</i>, 2021. <a href=\"https://doi.org/10.1365/s40702-021-00828-7\">https://doi.org/10.1365/s40702-021-00828-7</a>.","ieee":"J. Fromm, E. Slawinski, and M. Mirbabaie, “Affordance-Experimentation: Eine Fallstudie zur Entwicklung von Virtual-Reality-Anwendungsfällen im Unternehmenskontext,” <i>HMD Praxis der Wirtschaftsinformatik</i>, 2021, doi: <a href=\"https://doi.org/10.1365/s40702-021-00828-7\">10.1365/s40702-021-00828-7</a>."},"user_id":"88831","keyword":["General Earth and Planetary Sciences","General Environmental Science"],"publication_status":"published","department":[{"_id":"646"}],"title":"Affordance-Experimentation: Eine Fallstudie zur Entwicklung von Virtual-Reality-Anwendungsfällen im Unternehmenskontext","author":[{"full_name":"Fromm, Jennifer","first_name":"Jennifer","last_name":"Fromm"},{"last_name":"Slawinski","full_name":"Slawinski, Elena","first_name":"Elena"},{"full_name":"Mirbabaie, Milad","first_name":"Milad","id":"88691","last_name":"Mirbabaie"}],"abstract":[{"text":"<jats:title>Zusammenfassung</jats:title><jats:p>Durch technologische Fortschritte in den letzten Jahren ist Virtual Reality erschwinglicher und benutzerfreundlicher geworden, sodass Unternehmen die Einführung der Technologie verstärkt in Betracht ziehen. Ihren Aufschwung erlebte die Technologie jedoch durch die Unterhaltungs- und Spieleindustrie, weshalb sich für Unternehmen die Frage nach sinnvollen Anwendungsfällen stellt. Nach der Affordance-Experimentation-Actualization-Theorie ist insbesondere bei neu aufkommenden Technologien eine Experimentierphase notwendig, um Handlungsmöglichkeiten aufzudecken und daraus Anwendungsfälle zu generieren. Dieser Artikel präsentiert die Ergebnisse einer Fallstudie in einem Unternehmen, das sich während der Studie in der Experimentierphase befand. Durch Interviews mit acht Beschäftigten und einem Vertriebspartner konnten drei Handlungsmöglichkeiten für Virtual Reality im Unternehmenskontext und eine zuvor nicht bekannte Aktivität der Experimentierphase identifiziert werden. Damit erweitert die Studie bisherige Forschung zur Experimentierphase und zeigt Unterschiede im Vergleich zu anderen innovativen Technologien auf, die in vorherigen Studien untersucht wurden. Für Unternehmen bietet die Studie wertvolle Einblicke in die erfolgreiche Gestaltung der Experimentierphase als Vorbereitung auf die Implementierung.</jats:p>","lang":"eng"}],"doi":"10.1365/s40702-021-00828-7","_id":"29301","date_updated":"2022-01-12T18:20:33Z","publication":"HMD Praxis der Wirtschaftsinformatik","date_created":"2022-01-12T18:18:57Z","publisher":"Springer Fachmedien Wiesbaden GmbH","year":"2021","type":"journal_article","publication_identifier":{"issn":["1436-3011","2198-2775"]},"language":[{"iso":"ger"}],"status":"public"},{"issue":"4","volume":63,"page":"557-573","type":"journal_article","quality_controlled":"1","publication":"Business History","keyword":["History","Business","Management and Accounting (miscellaneous)","Business and International Management"],"user_id":"89037","abstract":[{"lang":"eng","text":"How did bankers make their investment decisions, for example to issue a state loan for a peripheral country? This in-depth case study investigates the question of the Greek loan of 1833, issued by Rothschilds. The main interest is to reconstruct James de Rothschild’s risk perception and decision making process, expressed in the argumentation vis-à-vis his family. The significance of the guarantee of the protecting powers, which was without precedent, is considered by James as well as the competitive situation on the bond market, the relationship of the Rothschilds with leading politicians of the time, and the special significance of Greece in the period of intensive European philhellenism. The paper argues that in-depth studies of bankers’ risk perception are necessary to illuminate the complexity of their decision-making."}],"doi":"10.1080/00076791.2019.1593373","title":"Why does a prestigious emission house emit a loan for a peripheral state? The house of Rothschild and the Greek guaranteed loan of 1833","date_updated":"2022-01-18T10:13:13Z","_id":"29216","status":"public","language":[{"iso":"eng"}],"publication_identifier":{"issn":["0007-6791","1743-7938"]},"year":"2021","publisher":"Informa UK Limited","date_created":"2022-01-11T08:06:22Z","department":[{"_id":"445"}],"publication_status":"published","citation":{"apa":"Schönhärl, K. (2021). Why does a prestigious emission house emit a loan for a peripheral state? The house of Rothschild and the Greek guaranteed loan of 1833. <i>Business History</i>, <i>63</i>(4), 557–573. <a href=\"https://doi.org/10.1080/00076791.2019.1593373\">https://doi.org/10.1080/00076791.2019.1593373</a>","ama":"Schönhärl K. Why does a prestigious emission house emit a loan for a peripheral state? The house of Rothschild and the Greek guaranteed loan of 1833. <i>Business History</i>. 2021;63(4):557-573. doi:<a href=\"https://doi.org/10.1080/00076791.2019.1593373\">10.1080/00076791.2019.1593373</a>","chicago":"Schönhärl, Korinna. “Why Does a Prestigious Emission House Emit a Loan for a Peripheral State? The House of Rothschild and the Greek Guaranteed Loan of 1833.” <i>Business History</i> 63, no. 4 (2021): 557–73. <a href=\"https://doi.org/10.1080/00076791.2019.1593373\">https://doi.org/10.1080/00076791.2019.1593373</a>.","ieee":"K. Schönhärl, “Why does a prestigious emission house emit a loan for a peripheral state? The house of Rothschild and the Greek guaranteed loan of 1833,” <i>Business History</i>, vol. 63, no. 4, pp. 557–573, 2021, doi: <a href=\"https://doi.org/10.1080/00076791.2019.1593373\">10.1080/00076791.2019.1593373</a>.","mla":"Schönhärl, Korinna. “Why Does a Prestigious Emission House Emit a Loan for a Peripheral State? The House of Rothschild and the Greek Guaranteed Loan of 1833.” <i>Business History</i>, vol. 63, no. 4, Informa UK Limited, 2021, pp. 557–73, doi:<a href=\"https://doi.org/10.1080/00076791.2019.1593373\">10.1080/00076791.2019.1593373</a>.","bibtex":"@article{Schönhärl_2021, title={Why does a prestigious emission house emit a loan for a peripheral state? The house of Rothschild and the Greek guaranteed loan of 1833}, volume={63}, DOI={<a href=\"https://doi.org/10.1080/00076791.2019.1593373\">10.1080/00076791.2019.1593373</a>}, number={4}, journal={Business History}, publisher={Informa UK Limited}, author={Schönhärl, Korinna}, year={2021}, pages={557–573} }","short":"K. Schönhärl, Business History 63 (2021) 557–573."},"intvolume":"        63","author":[{"id":"89037","last_name":"Schönhärl","first_name":"Korinna","full_name":"Schönhärl, Korinna","orcid":"0000-0002-7967-3261"}]},{"doi":"10.1016/j.automatica.2021.109804","intvolume":"       132","title":"Turnpike features in optimal selection of species represented by quota models","author":[{"full_name":"Djema, Walid","first_name":"Walid","last_name":"Djema"},{"last_name":"Giraldi","full_name":"Giraldi, Laetitia","first_name":"Laetitia"},{"last_name":"Maslovskaya","id":"87909","first_name":"Sofya","full_name":"Maslovskaya, Sofya"},{"full_name":"Bernard, Olivier","first_name":"Olivier","last_name":"Bernard"}],"department":[{"_id":"636"}],"citation":{"chicago":"Djema, Walid, Laetitia Giraldi, Sofya Maslovskaya, and Olivier Bernard. “Turnpike Features in Optimal Selection of Species Represented by Quota Models.” <i>Automatica</i> 132 (2021). <a href=\"https://doi.org/10.1016/j.automatica.2021.109804\">https://doi.org/10.1016/j.automatica.2021.109804</a>.","ieee":"W. 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Bernard, Automatica 132 (2021).","mla":"Djema, Walid, et al. “Turnpike Features in Optimal Selection of Species Represented by Quota Models.” <i>Automatica</i>, vol. 132, 109804, Elsevier BV, 2021, doi:<a href=\"https://doi.org/10.1016/j.automatica.2021.109804\">10.1016/j.automatica.2021.109804</a>.","bibtex":"@article{Djema_Giraldi_Maslovskaya_Bernard_2021, title={Turnpike features in optimal selection of species represented by quota models}, volume={132}, DOI={<a href=\"https://doi.org/10.1016/j.automatica.2021.109804\">10.1016/j.automatica.2021.109804</a>}, number={109804}, journal={Automatica}, publisher={Elsevier BV}, author={Djema, Walid and Giraldi, Laetitia and Maslovskaya, Sofya and Bernard, Olivier}, year={2021} }"},"user_id":"87909","keyword":["Electrical and Electronic Engineering","Control and Systems Engineering"],"publication_status":"published","year":"2021","type":"journal_article","publication_identifier":{"issn":["0005-1098"]},"language":[{"iso":"eng"}],"status":"public","publication":"Automatica","date_created":"2022-01-26T13:13:06Z","publisher":"Elsevier BV","article_number":"109804","date_updated":"2022-01-26T13:15:33Z","_id":"29543","volume":132},{"keyword":["Educational technologies","Education and technologies","Digital technologies and education","Information technologies","Communication technologies","Educational technologies and research","Educational technologies and pedagogical practices","Educational technologies and policy","Educational management and technologies","Professional development and educational technologies"],"user_id":"21145","doi":"10.1007/978-3-030-81701-5_5","title":"Computers and Education – Recognising Opportunities and Managing Challenges","volume":"AICT-600","page":"129-152","type":"book_chapter","publication":"Advancing Research in Information and Communication Technology","department":[{"_id":"67"}],"citation":{"short":"D. Passey, T. Brinda, B. Cornu, J. Holvikivi, C. Lewin, J. Magenheim, R. Morel, J. Osorio, A. Tatnall, B. Thompson, M. Webb, in: M. Goedicke, E. Neuhold, K. 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Springer, Cham, 2021. <a href=\"https://doi.org/10.1007/978-3-030-81701-5_5\">https://doi.org/10.1007/978-3-030-81701-5_5</a>.","apa":"Passey, D., Brinda, T., Cornu, B., Holvikivi, J., Lewin, C., Magenheim, J., Morel, R., Osorio, J., Tatnall, A., Thompson, B., &#38; Webb, M. (2021). Computers and Education – Recognising Opportunities and Managing Challenges. In M. Goedicke, E. Neuhold, &#38; K. Rannenberg (Eds.), <i>Advancing Research in Information and Communication Technology: Vol. AICT-600</i> (pp. 129–152). Springer, Cham. <a href=\"https://doi.org/10.1007/978-3-030-81701-5_5\">https://doi.org/10.1007/978-3-030-81701-5_5</a>","ama":"Passey D, Brinda T, Cornu B, et al. Computers and Education – Recognising Opportunities and Managing Challenges. In: Goedicke M, Neuhold E, Rannenberg K, eds. <i>Advancing Research in Information and Communication Technology</i>. Vol AICT-600. IFIP Advances in Information and Communication Technology. 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Li, Y. Ma, Y. Shi, W. Wang, Y. Wu, European Journal of Combinatorics 100 (2021).","apa":"Li, J., Ma, Y., Shi, Y., Wang, W., &#38; Wu, Y. (2021). On 3-flow-critical graphs. <i>European Journal of Combinatorics</i>, <i>100</i>, Article 103451. <a href=\"https://doi.org/10.1016/j.ejc.2021.103451\">https://doi.org/10.1016/j.ejc.2021.103451</a>","ama":"Li J, Ma Y, Shi Y, Wang W, Wu Y. On 3-flow-critical graphs. <i>European Journal of Combinatorics</i>. 2021;100. doi:<a href=\"https://doi.org/10.1016/j.ejc.2021.103451\">10.1016/j.ejc.2021.103451</a>","ieee":"J. Li, Y. Ma, Y. Shi, W. Wang, and Y. Wu, “On 3-flow-critical graphs,” <i>European Journal of Combinatorics</i>, vol. 100, Art. no. 103451, 2021, doi: <a href=\"https://doi.org/10.1016/j.ejc.2021.103451\">10.1016/j.ejc.2021.103451</a>.","chicago":"Li, Jiaao, Yulai Ma, Yongtang Shi, Weifan Wang, and Yezhou Wu. “On 3-Flow-Critical Graphs.” <i>European Journal of Combinatorics</i> 100 (2021). <a href=\"https://doi.org/10.1016/j.ejc.2021.103451\">https://doi.org/10.1016/j.ejc.2021.103451</a>."},"doi":"10.1016/j.ejc.2021.103451","intvolume":"       100","author":[{"last_name":"Li","full_name":"Li, Jiaao","first_name":"Jiaao"},{"last_name":"Ma","id":"92748","full_name":"Ma, Yulai","first_name":"Yulai"},{"first_name":"Yongtang","full_name":"Shi, Yongtang","last_name":"Shi"},{"first_name":"Weifan","full_name":"Wang, Weifan","last_name":"Wang"},{"last_name":"Wu","first_name":"Yezhou","full_name":"Wu, Yezhou"}],"title":"On 3-flow-critical graphs"},{"user_id":"61597","keyword":["Cardiology and Cardiovascular Medicine","Nutrition and Dietetics","Endocrinology","Diabetes and Metabolism","Medicine (miscellaneous)"],"doi":"10.1016/j.numecd.2021.11.011","title":"Maternal pregnancy weight or gestational weight gain and offspring's blood pressure: A systematic review","issue":"4","page":"833-852","volume":32,"type":"journal_article","publication":"Nutrition, Metabolism and Cardiovascular Diseases","department":[{"_id":"17"},{"_id":"22"},{"_id":"571"}],"citation":{"bibtex":"@article{Ludwig-Walz_Nyasordzi_Weber_Buyken_Kroke_2021, title={Maternal pregnancy weight or gestational weight gain and offspring’s blood pressure: A systematic review}, volume={32}, DOI={<a href=\"https://doi.org/10.1016/j.numecd.2021.11.011\">10.1016/j.numecd.2021.11.011</a>}, number={4}, journal={Nutrition, Metabolism and Cardiovascular Diseases}, publisher={Elsevier BV}, author={Ludwig-Walz, Helena and Nyasordzi, Juliana and Weber, Katharina S. and Buyken, Anette and Kroke, Anja}, year={2021}, pages={833–852} }","mla":"Ludwig-Walz, Helena, et al. “Maternal Pregnancy Weight or Gestational Weight Gain and Offspring’s Blood Pressure: A Systematic Review.” <i>Nutrition, Metabolism and Cardiovascular Diseases</i>, vol. 32, no. 4, Elsevier BV, 2021, pp. 833–52, doi:<a href=\"https://doi.org/10.1016/j.numecd.2021.11.011\">10.1016/j.numecd.2021.11.011</a>.","short":"H. Ludwig-Walz, J. Nyasordzi, K.S. Weber, A. Buyken, A. Kroke, Nutrition, Metabolism and Cardiovascular Diseases 32 (2021) 833–852.","ama":"Ludwig-Walz H, Nyasordzi J, Weber KS, Buyken A, Kroke A. Maternal pregnancy weight or gestational weight gain and offspring’s blood pressure: A systematic review. <i>Nutrition, Metabolism and Cardiovascular Diseases</i>. 2021;32(4):833-852. doi:<a href=\"https://doi.org/10.1016/j.numecd.2021.11.011\">10.1016/j.numecd.2021.11.011</a>","apa":"Ludwig-Walz, H., Nyasordzi, J., Weber, K. S., Buyken, A., &#38; Kroke, A. (2021). Maternal pregnancy weight or gestational weight gain and offspring’s blood pressure: A systematic review. <i>Nutrition, Metabolism and Cardiovascular Diseases</i>, <i>32</i>(4), 833–852. <a href=\"https://doi.org/10.1016/j.numecd.2021.11.011\">https://doi.org/10.1016/j.numecd.2021.11.011</a>","ieee":"H. Ludwig-Walz, J. Nyasordzi, K. S. Weber, A. Buyken, and A. Kroke, “Maternal pregnancy weight or gestational weight gain and offspring’s blood pressure: A systematic review,” <i>Nutrition, Metabolism and Cardiovascular Diseases</i>, vol. 32, no. 4, pp. 833–852, 2021, doi: <a href=\"https://doi.org/10.1016/j.numecd.2021.11.011\">10.1016/j.numecd.2021.11.011</a>.","chicago":"Ludwig-Walz, Helena, Juliana Nyasordzi, Katharina S. Weber, Anette Buyken, and Anja Kroke. “Maternal Pregnancy Weight or Gestational Weight Gain and Offspring’s Blood Pressure: A Systematic Review.” <i>Nutrition, Metabolism and Cardiovascular Diseases</i> 32, no. 4 (2021): 833–52. <a href=\"https://doi.org/10.1016/j.numecd.2021.11.011\">https://doi.org/10.1016/j.numecd.2021.11.011</a>."},"publication_status":"published","intvolume":"        32","author":[{"first_name":"Helena","full_name":"Ludwig-Walz, Helena","last_name":"Ludwig-Walz"},{"first_name":"Juliana","full_name":"Nyasordzi, Juliana","last_name":"Nyasordzi"},{"last_name":"Weber","first_name":"Katharina S.","full_name":"Weber, Katharina S."},{"first_name":"Anette","full_name":"Buyken, Anette","id":"65985","last_name":"Buyken"},{"first_name":"Anja","full_name":"Kroke, Anja","last_name":"Kroke"}],"date_updated":"2022-08-18T10:41:47Z","_id":"33008","year":"2021","publication_identifier":{"issn":["0939-4753"]},"language":[{"iso":"eng"}],"status":"public","date_created":"2022-08-18T10:34:46Z","publisher":"Elsevier BV"},{"department":[{"_id":"613"}],"citation":{"ama":"Ranjbar A, Mirhosseini H, Kühne TD. On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>. 2021;5(1). doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>","bibtex":"@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials as photocatalysts for water splitting by visible light}, volume={5}, DOI={<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>}, number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas D}, year={2021} }","apa":"Ranjbar, A., Mirhosseini, H., &#38; Kühne, T. D. (2021). On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>, <i>5</i>(1), Article 015001. <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>","mla":"Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, 015001, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","ieee":"A. Ranjbar, H. Mirhosseini, and T. D. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, Art. no. 015001, 2021, doi: <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","short":"A. Ranjbar, H. Mirhosseini, T.D. Kühne, Journal of Physics: Materials 5 (2021).","chicago":"Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas D Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i> 5, no. 1 (2021). <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>."},"user_id":"71051","publication_status":"published","keyword":["Condensed Matter Physics","General Materials Science","Atomic and Molecular Physics","and Optics"],"intvolume":"         5","doi":"10.1088/2515-7639/ac363d","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>We performed a virtual materials screening to identify promising topological materials for photocatalytic water splitting under visible light irradiation. Topological compounds were screened based on band gap, band edge energy, and thermodynamics stability criteria. In addition, topological types for our final candidates were computed based on electronic structures calculated usingthe hybrid density functional theory including exact Hartree–Fock exchange. Our final list contains materials which have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable for water oxidation and reduction. However, the topological types of these compounds calculated with the hybrid functional differ from those reported previously. To that end, we discuss the importance of computational methods for the calculation of atomic and electronic structures in materials screening processes.</jats:p>"}],"title":"On topological materials as photocatalysts for water splitting by visible light","author":[{"full_name":"Ranjbar, Ahmad","first_name":"Ahmad","last_name":"Ranjbar"},{"last_name":"Mirhosseini","full_name":"Mirhosseini, Hossein","first_name":"Hossein"},{"full_name":"Kühne, Thomas D","first_name":"Thomas D","last_name":"Kühne"}],"article_number":"015001","date_updated":"2022-10-09T15:25:19Z","issue":"1","_id":"33587","volume":5,"year":"2021","publication_identifier":{"issn":["2515-7639"]},"type":"journal_article","language":[{"iso":"eng"}],"status":"public","publication":"Journal of Physics: Materials","date_created":"2022-10-09T15:25:09Z","publisher":"IOP Publishing"},{"year":"2021","publication_identifier":{"issn":["2050-7488","2050-7496"]},"language":[{"iso":"eng"}],"status":"public","date_created":"2022-10-10T08:08:53Z","publisher":"Royal Society of Chemistry (RSC)","date_updated":"2022-10-10T08:09:44Z","_id":"33643","intvolume":"         9","author":[{"id":"53238","last_name":"Heske","first_name":"Julian Joachim","full_name":"Heske, Julian Joachim"},{"last_name":"Walczak","full_name":"Walczak, Ralf","first_name":"Ralf"},{"first_name":"Jan D.","full_name":"Epping, Jan D.","last_name":"Epping"},{"full_name":"Youk, Sol","first_name":"Sol","last_name":"Youk"},{"last_name":"Sahoo","full_name":"Sahoo, Sudhir K.","first_name":"Sudhir K."},{"full_name":"Antonietti, Markus","first_name":"Markus","last_name":"Antonietti"},{"full_name":"Kühne, Thomas","first_name":"Thomas","id":"49079","last_name":"Kühne"},{"first_name":"Martin","full_name":"Oschatz, Martin","last_name":"Oschatz"}],"department":[{"_id":"613"}],"citation":{"short":"J.J. Heske, R. Walczak, J.D. Epping, S. Youk, S.K. Sahoo, M. Antonietti, T. Kühne, M. Oschatz, Journal of Materials Chemistry A 9 (2021) 22563–22572.","chicago":"Heske, Julian Joachim, Ralf Walczak, Jan D. Epping, Sol Youk, Sudhir K. Sahoo, Markus Antonietti, Thomas Kühne, and Martin Oschatz. “When Water Becomes an Integral Part of Carbon – Combining Theory and Experiment to Understand the Zeolite-like Water Adsorption Properties of Porous C<sub>2</sub>N Materials.” <i>Journal of Materials Chemistry A</i> 9, no. 39 (2021): 22563–72. <a href=\"https://doi.org/10.1039/d1ta05122a\">https://doi.org/10.1039/d1ta05122a</a>.","ieee":"J. J. Heske <i>et al.</i>, “When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials,” <i>Journal of Materials Chemistry A</i>, vol. 9, no. 39, pp. 22563–22572, 2021, doi: <a href=\"https://doi.org/10.1039/d1ta05122a\">10.1039/d1ta05122a</a>.","mla":"Heske, Julian Joachim, et al. “When Water Becomes an Integral Part of Carbon – Combining Theory and Experiment to Understand the Zeolite-like Water Adsorption Properties of Porous C<sub>2</sub>N Materials.” <i>Journal of Materials Chemistry A</i>, vol. 9, no. 39, Royal Society of Chemistry (RSC), 2021, pp. 22563–72, doi:<a href=\"https://doi.org/10.1039/d1ta05122a\">10.1039/d1ta05122a</a>.","ama":"Heske JJ, Walczak R, Epping JD, et al. When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials. <i>Journal of Materials Chemistry A</i>. 2021;9(39):22563-22572. doi:<a href=\"https://doi.org/10.1039/d1ta05122a\">10.1039/d1ta05122a</a>","bibtex":"@article{Heske_Walczak_Epping_Youk_Sahoo_Antonietti_Kühne_Oschatz_2021, title={When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials}, volume={9}, DOI={<a href=\"https://doi.org/10.1039/d1ta05122a\">10.1039/d1ta05122a</a>}, number={39}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry (RSC)}, author={Heske, Julian Joachim and Walczak, Ralf and Epping, Jan D. and Youk, Sol and Sahoo, Sudhir K. and Antonietti, Markus and Kühne, Thomas and Oschatz, Martin}, year={2021}, pages={22563–22572} }","apa":"Heske, J. J., Walczak, R., Epping, J. D., Youk, S., Sahoo, S. K., Antonietti, M., Kühne, T., &#38; Oschatz, M. (2021). When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials. <i>Journal of Materials Chemistry A</i>, <i>9</i>(39), 22563–22572. <a href=\"https://doi.org/10.1039/d1ta05122a\">https://doi.org/10.1039/d1ta05122a</a>"},"publication_status":"published","type":"journal_article","publication":"Journal of Materials Chemistry A","issue":"39","page":"22563-22572","volume":9,"doi":"10.1039/d1ta05122a","abstract":[{"lang":"eng","text":"<jats:p>The origin of strong interactions between water molecules and porous C<jats:sub>2</jats:sub>N surfaces is investigated by using a combination of model materials, volumetric physisorption measurements, solid-state NMR spectroscopy, and DFT calculations.</jats:p>"}],"title":"When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials","user_id":"71051","keyword":["General Materials Science","Renewable Energy","Sustainability and the Environment","General Chemistry"]},{"date_updated":"2022-10-10T08:11:18Z","_id":"33644","status":"public","language":[{"iso":"eng"}],"year":"2021","publication_identifier":{"issn":["1089-5639","1520-5215"]},"publisher":"American Chemical Society (ACS)","date_created":"2022-10-10T08:10:52Z","department":[{"_id":"613"}],"publication_status":"published","citation":{"mla":"Pylaeva, Svetlana, et al. “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids.” <i>The Journal of Physical Chemistry A</i>, vol. 125, no. 3, American Chemical Society (ACS), 2021, pp. 867–74, doi:<a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">10.1021/acs.jpca.0c11296</a>.","bibtex":"@article{Pylaeva_Marx_Singh_Kühne_Roemelt_Elgabarty_2021, title={Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">10.1021/acs.jpca.0c11296</a>}, number={3}, journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society (ACS)}, author={Pylaeva, Svetlana and Marx, Patrick and Singh, Gurjot and Kühne, Thomas and Roemelt, Michael and Elgabarty, Hossam}, year={2021}, pages={867–874} }","short":"S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, H. Elgabarty, The Journal of Physical Chemistry A 125 (2021) 867–874.","apa":"Pylaeva, S., Marx, P., Singh, G., Kühne, T., Roemelt, M., &#38; Elgabarty, H. (2021). Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids. <i>The Journal of Physical Chemistry A</i>, <i>125</i>(3), 867–874. <a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">https://doi.org/10.1021/acs.jpca.0c11296</a>","ama":"Pylaeva S, Marx P, Singh G, Kühne T, Roemelt M, Elgabarty H. Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids. <i>The Journal of Physical Chemistry A</i>. 2021;125(3):867-874. doi:<a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">10.1021/acs.jpca.0c11296</a>","chicago":"Pylaeva, Svetlana, Patrick Marx, Gurjot Singh, Thomas Kühne, Michael Roemelt, and Hossam Elgabarty. “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids.” <i>The Journal of Physical Chemistry A</i> 125, no. 3 (2021): 867–74. <a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">https://doi.org/10.1021/acs.jpca.0c11296</a>.","ieee":"S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, and H. Elgabarty, “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids,” <i>The Journal of Physical Chemistry A</i>, vol. 125, no. 3, pp. 867–874, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpca.0c11296\">10.1021/acs.jpca.0c11296</a>."},"intvolume":"       125","author":[{"first_name":"Svetlana","full_name":"Pylaeva, Svetlana","id":"78888","last_name":"Pylaeva"},{"last_name":"Marx","first_name":"Patrick","full_name":"Marx, Patrick"},{"last_name":"Singh","first_name":"Gurjot","full_name":"Singh, Gurjot"},{"last_name":"Kühne","id":"49079","first_name":"Thomas","full_name":"Kühne, Thomas"},{"first_name":"Michael","full_name":"Roemelt, Michael","last_name":"Roemelt"},{"last_name":"Elgabarty","id":"60250","first_name":"Hossam","full_name":"Elgabarty, Hossam","orcid":"0000-0002-4945-1481"}],"issue":"3","volume":125,"page":"867-874","type":"journal_article","publication":"The Journal of Physical Chemistry A","keyword":["Physical and Theoretical Chemistry"],"user_id":"71051","doi":"10.1021/acs.jpca.0c11296","title":"Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids"},{"volume":4,"_id":"33649","issue":"4","date_updated":"2022-10-10T08:15:37Z","article_number":"2000269","publisher":"Wiley","date_created":"2022-10-10T08:15:23Z","publication":"Advanced Theory and Simulations","status":"public","language":[{"iso":"eng"}],"type":"journal_article","publication_identifier":{"issn":["2513-0390","2513-0390"]},"year":"2021","publication_status":"published","keyword":["Multidisciplinary","Modeling and Simulation","Numerical Analysis","Statistics and Probability"],"user_id":"71051","citation":{"bibtex":"@article{Kessler_Calcavecchia_Kühne_2021, title={Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo}, volume={4}, DOI={<a href=\"https://doi.org/10.1002/adts.202000269\">10.1002/adts.202000269</a>}, number={42000269}, journal={Advanced Theory and Simulations}, publisher={Wiley}, author={Kessler, Jan and Calcavecchia, Francesco and Kühne, Thomas}, year={2021} }","mla":"Kessler, Jan, et al. “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo.” <i>Advanced Theory and Simulations</i>, vol. 4, no. 4, 2000269, Wiley, 2021, doi:<a href=\"https://doi.org/10.1002/adts.202000269\">10.1002/adts.202000269</a>.","short":"J. Kessler, F. Calcavecchia, T. Kühne, Advanced Theory and Simulations 4 (2021).","ama":"Kessler J, Calcavecchia F, Kühne T. Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo. <i>Advanced Theory and Simulations</i>. 2021;4(4). doi:<a href=\"https://doi.org/10.1002/adts.202000269\">10.1002/adts.202000269</a>","apa":"Kessler, J., Calcavecchia, F., &#38; Kühne, T. (2021). Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo. <i>Advanced Theory and Simulations</i>, <i>4</i>(4), Article 2000269. <a href=\"https://doi.org/10.1002/adts.202000269\">https://doi.org/10.1002/adts.202000269</a>","ieee":"J. Kessler, F. Calcavecchia, and T. Kühne, “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo,” <i>Advanced Theory and Simulations</i>, vol. 4, no. 4, Art. no. 2000269, 2021, doi: <a href=\"https://doi.org/10.1002/adts.202000269\">10.1002/adts.202000269</a>.","chicago":"Kessler, Jan, Francesco Calcavecchia, and Thomas Kühne. “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo.” <i>Advanced Theory and Simulations</i> 4, no. 4 (2021). <a href=\"https://doi.org/10.1002/adts.202000269\">https://doi.org/10.1002/adts.202000269</a>."},"department":[{"_id":"613"}],"author":[{"orcid":"0000-0002-8705-6992","first_name":"Jan","full_name":"Kessler, Jan","id":"65425","last_name":"Kessler"},{"full_name":"Calcavecchia, Francesco","first_name":"Francesco","last_name":"Calcavecchia"},{"first_name":"Thomas","full_name":"Kühne, Thomas","id":"49079","last_name":"Kühne"}],"title":"Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo","doi":"10.1002/adts.202000269","intvolume":"         4"},{"publication_status":"published","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"user_id":"71051","citation":{"short":"A. Ghasemi, T. Kühne, The Journal of Chemical Physics 154 (2021).","bibtex":"@article{Ghasemi_Kühne_2021, title={Artificial neural networks for the kinetic energy functional of non-interacting fermions}, volume={154}, DOI={<a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>}, number={7074107}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ghasemi, Alireza and Kühne, Thomas}, year={2021} }","mla":"Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” <i>The Journal of Chemical Physics</i>, vol. 154, no. 7, 074107, AIP Publishing, 2021, doi:<a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>.","ieee":"A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy functional of non-interacting fermions,” <i>The Journal of Chemical Physics</i>, vol. 154, no. 7, Art. no. 074107, 2021, doi: <a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>.","chicago":"Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” <i>The Journal of Chemical Physics</i> 154, no. 7 (2021). <a href=\"https://doi.org/10.1063/5.0037319\">https://doi.org/10.1063/5.0037319</a>.","apa":"Ghasemi, A., &#38; Kühne, T. (2021). Artificial neural networks for the kinetic energy functional of non-interacting fermions. <i>The Journal of Chemical Physics</i>, <i>154</i>(7), Article 074107. <a href=\"https://doi.org/10.1063/5.0037319\">https://doi.org/10.1063/5.0037319</a>","ama":"Ghasemi A, Kühne T. Artificial neural networks for the kinetic energy functional of non-interacting fermions. <i>The Journal of Chemical Physics</i>. 2021;154(7). doi:<a href=\"https://doi.org/10.1063/5.0037319\">10.1063/5.0037319</a>"},"department":[{"_id":"613"}],"author":[{"first_name":"Alireza","full_name":"Ghasemi, Alireza","id":"77282","last_name":"Ghasemi"},{"first_name":"Thomas","full_name":"Kühne, Thomas","last_name":"Kühne","id":"49079"}],"title":"Artificial neural networks for the kinetic energy functional of non-interacting fermions","doi":"10.1063/5.0037319","intvolume":"       154","volume":154,"_id":"33648","issue":"7","date_updated":"2022-10-10T08:14:57Z","article_number":"074107","publisher":"AIP Publishing","date_created":"2022-10-10T08:14:44Z","publication":"The Journal of Chemical Physics","status":"public","language":[{"iso":"eng"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"year":"2021","type":"journal_article"},{"title":"A combinatorial study of electrochemical anion intercalation into graphite","abstract":[{"text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>Dual-ion batteries are considered to be an emerging viable energy storage technology owing to their safety, high power capability, low cost, and scalability. Intercalation of anions into a graphite positive electrode provides high operating voltage and improved energy density to such dual-ion batteries. In this work, we have performed a combinatorial study of graphite intercalation compounds considering four anions, namely hexafluorophosphate (PF<jats:inline-formula>\r\n                     <jats:tex-math>\r\n<?CDATA ${}_{6}^{-}$?>\r\n</jats:tex-math>\r\n                     <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\">\r\n                        <mml:msubsup>\r\n                           <mml:mrow />\r\n                           <mml:mrow>\r\n                              <mml:mn>6</mml:mn>\r\n                           </mml:mrow>\r\n                           <mml:mrow>\r\n                              <mml:mo>−</mml:mo>\r\n                           </mml:mrow>\r\n                        </mml:msubsup>\r\n                     </mml:math>\r\n                     <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"mrxac1965ieqn1.gif\" xlink:type=\"simple\" />\r\n                  </jats:inline-formula>), perchlorate (ClO<jats:inline-formula>\r\n                     <jats:tex-math>\r\n<?CDATA ${}_{4}^{-}$?>\r\n</jats:tex-math>\r\n                     <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\">\r\n                        <mml:msubsup>\r\n                           <mml:mrow />\r\n                           <mml:mrow>\r\n                              <mml:mn>4</mml:mn>\r\n                           </mml:mrow>\r\n                           <mml:mrow>\r\n                              <mml:mo>−</mml:mo>\r\n                           </mml:mrow>\r\n                        </mml:msubsup>\r\n                     </mml:math>\r\n                     <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"mrxac1965ieqn2.gif\" xlink:type=\"simple\" />\r\n                  </jats:inline-formula>), bis(fluorosulfonyl)imide (FSI<jats:sup>−</jats:sup>), and bis(trifluoromethanesulfonyl)imide (TFSI<jats:sup>−</jats:sup>), via first-principles calculations. The structural properties and energetics of the intercalation compounds are compared based on different sizes, geometries, and the physical and chemical properties of the intercalated anions. The staging mechanism of anion intercalation into graphite and the specific capacities, and voltage profiles of the intercalated compounds are investigated. A comparison regarding battery electrochemistry is also done with available experimental observations. Our calculated intercalation energies and voltage profiles show that the initial anion intercalation into graphite is less favorable than subsequent ones for all the anions considered in this study. Although the effect of the size of anions in a graphite cathode on various properties of the intercalated compounds is not as significant as the size of cations in a graphite anode, some distinction between the studied anions can still be made. Among the studied anions, the intercalation compounds based on PF<jats:inline-formula>\r\n                     <jats:tex-math>\r\n<?CDATA ${}_{6}^{-}$?>\r\n</jats:tex-math>\r\n                     <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\">\r\n                        <mml:msubsup>\r\n                           <mml:mrow />\r\n                           <mml:mrow>\r\n                              <mml:mn>6</mml:mn>\r\n                           </mml:mrow>\r\n                           <mml:mrow>\r\n                              <mml:mo>−</mml:mo>\r\n                           </mml:mrow>\r\n                        </mml:msubsup>\r\n                     </mml:math>\r\n                     <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"mrxac1965ieqn3.gif\" xlink:type=\"simple\" />\r\n                  </jats:inline-formula> are the most stable ones. These PF<jats:inline-formula>\r\n                     <jats:tex-math>\r\n<?CDATA ${}_{6}^{-}$?>\r\n</jats:tex-math>\r\n                     <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\">\r\n                        <mml:msubsup>\r\n                           <mml:mrow />\r\n                           <mml:mrow>\r\n                              <mml:mn>6</mml:mn>\r\n                           </mml:mrow>\r\n                           <mml:mrow>\r\n                              <mml:mo>−</mml:mo>\r\n                           </mml:mrow>\r\n                        </mml:msubsup>\r\n                     </mml:math>\r\n                     <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"mrxac1965ieqn4.gif\" xlink:type=\"simple\" />\r\n                  </jats:inline-formula> anions cause relatively small structural deformations of the graphite and have the highest oxidative ability, highest onset voltage, and highest diffusion barrier along the graphene sheets. The overall small diffusion barriers of the anions within graphite explain the high rate capability of dual-ion batteries.</jats:p>","lang":"eng"}],"doi":"10.1088/2053-1591/ac1965","user_id":"71051","keyword":["Metals and Alloys","Polymers and Plastics","Surfaces","Coatings and Films","Biomaterials","Electronic","Optical and Magnetic Materials"],"publication":"Materials Research Express","type":"journal_article","volume":8,"issue":"8","article_number":"085502","author":[{"full_name":"Chugh, Manjusha","first_name":"Manjusha","last_name":"Chugh","id":"71511"},{"full_name":"Jain, Mitisha","first_name":"Mitisha","last_name":"Jain"},{"first_name":"Gang","full_name":"Wang, Gang","last_name":"Wang"},{"full_name":"Nia, Ali Shaygan","first_name":"Ali Shaygan","last_name":"Nia"},{"orcid":"0000-0001-6179-1545","id":"71051","last_name":"Mirhosseini","first_name":"Hossein","full_name":"Mirhosseini, Hossein"},{"last_name":"Kühne","id":"49079","full_name":"Kühne, Thomas","first_name":"Thomas"}],"intvolume":"         8","publication_status":"published","citation":{"chicago":"Chugh, Manjusha, Mitisha Jain, Gang Wang, Ali Shaygan Nia, Hossein Mirhosseini, and Thomas Kühne. “A Combinatorial Study of Electrochemical Anion Intercalation into Graphite.” <i>Materials Research Express</i> 8, no. 8 (2021). <a href=\"https://doi.org/10.1088/2053-1591/ac1965\">https://doi.org/10.1088/2053-1591/ac1965</a>.","ieee":"M. Chugh, M. Jain, G. Wang, A. S. Nia, H. Mirhosseini, and T. Kühne, “A combinatorial study of electrochemical anion intercalation into graphite,” <i>Materials Research Express</i>, vol. 8, no. 8, Art. no. 085502, 2021, doi: <a href=\"https://doi.org/10.1088/2053-1591/ac1965\">10.1088/2053-1591/ac1965</a>.","apa":"Chugh, M., Jain, M., Wang, G., Nia, A. S., Mirhosseini, H., &#38; Kühne, T. (2021). A combinatorial study of electrochemical anion intercalation into graphite. <i>Materials Research Express</i>, <i>8</i>(8), Article 085502. <a href=\"https://doi.org/10.1088/2053-1591/ac1965\">https://doi.org/10.1088/2053-1591/ac1965</a>","ama":"Chugh M, Jain M, Wang G, Nia AS, Mirhosseini H, Kühne T. A combinatorial study of electrochemical anion intercalation into graphite. <i>Materials Research Express</i>. 2021;8(8). doi:<a href=\"https://doi.org/10.1088/2053-1591/ac1965\">10.1088/2053-1591/ac1965</a>","short":"M. Chugh, M. Jain, G. Wang, A.S. Nia, H. Mirhosseini, T. Kühne, Materials Research Express 8 (2021).","mla":"Chugh, Manjusha, et al. “A Combinatorial Study of Electrochemical Anion Intercalation into Graphite.” <i>Materials Research Express</i>, vol. 8, no. 8, 085502, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/2053-1591/ac1965\">10.1088/2053-1591/ac1965</a>.","bibtex":"@article{Chugh_Jain_Wang_Nia_Mirhosseini_Kühne_2021, title={A combinatorial study of electrochemical anion intercalation into graphite}, volume={8}, DOI={<a href=\"https://doi.org/10.1088/2053-1591/ac1965\">10.1088/2053-1591/ac1965</a>}, number={8085502}, journal={Materials Research Express}, publisher={IOP Publishing}, author={Chugh, Manjusha and Jain, Mitisha and Wang, Gang and Nia, Ali Shaygan and Mirhosseini, Hossein and Kühne, Thomas}, year={2021} }"},"department":[{"_id":"613"}],"publisher":"IOP Publishing","date_created":"2022-10-10T08:22:50Z","status":"public","year":"2021","publication_identifier":{"issn":["2053-1591"]},"language":[{"iso":"eng"}],"_id":"33655","date_updated":"2022-10-10T08:23:07Z"},{"article_number":"1212","issue":"10","date_updated":"2022-10-10T08:24:57Z","_id":"33658","volume":12,"language":[{"iso":"eng"}],"publication_identifier":{"issn":["2072-666X"]},"year":"2021","type":"journal_article","status":"public","date_created":"2022-10-10T08:24:47Z","publication":"Micromachines","publisher":"MDPI AG","department":[{"_id":"613"}],"citation":{"short":"P. Partovi-Azar, T. Kühne, Micromachines 12 (2021).","mla":"Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase.” <i>Micromachines</i>, vol. 12, no. 10, 1212, MDPI AG, 2021, doi:<a href=\"https://doi.org/10.3390/mi12101212\">10.3390/mi12101212</a>.","bibtex":"@article{Partovi-Azar_Kühne_2021, title={Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase}, volume={12}, DOI={<a href=\"https://doi.org/10.3390/mi12101212\">10.3390/mi12101212</a>}, number={101212}, journal={Micromachines}, publisher={MDPI AG}, author={Partovi-Azar, Pouya and Kühne, Thomas}, year={2021} }","chicago":"Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase.” <i>Micromachines</i> 12, no. 10 (2021). <a href=\"https://doi.org/10.3390/mi12101212\">https://doi.org/10.3390/mi12101212</a>.","ieee":"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,” <i>Micromachines</i>, vol. 12, no. 10, Art. no. 1212, 2021, doi: <a href=\"https://doi.org/10.3390/mi12101212\">10.3390/mi12101212</a>.","apa":"Partovi-Azar, P., &#38; Kühne, T. (2021). Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase. <i>Micromachines</i>, <i>12</i>(10), Article 1212. <a href=\"https://doi.org/10.3390/mi12101212\">https://doi.org/10.3390/mi12101212</a>","ama":"Partovi-Azar P, Kühne T. Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase. <i>Micromachines</i>. 2021;12(10). doi:<a href=\"https://doi.org/10.3390/mi12101212\">10.3390/mi12101212</a>"},"keyword":["Electrical and Electronic Engineering","Mechanical Engineering","Control and Systems Engineering"],"publication_status":"published","user_id":"71051","doi":"10.3390/mi12101212","intvolume":"        12","abstract":[{"text":"<jats:p>We demonstrate how to fully ascribe Raman peaks simulated using ab initio molecular dynamics to specific vibrations in the structure at finite temperatures by means of Wannier functions. Here, we adopt our newly introduced method for the simulation of the Raman spectra in which the total polarizability of the system is expressed as a sum over Wannier polarizabilities. The assignment is then based on the calculation of partial Raman activities arising from self- and/or cross-correlations between different types of Wannier functions in the system. Different types of Wannier functions can be distinguished based on their spatial spread. To demonstrate the predictive power of this approach, we applied it to the case of a cyclohexane molecule in the gas phase and were able to fully assign the simulated Raman peaks.</jats:p>","lang":"eng"}],"title":"Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase","author":[{"first_name":"Pouya","full_name":"Partovi-Azar, Pouya","last_name":"Partovi-Azar"},{"first_name":"Thomas","full_name":"Kühne, Thomas","last_name":"Kühne","id":"49079"}]},{"volume":125,"page":"13749-13758","issue":"25","publication":"The Journal of Physical Chemistry C","type":"journal_article","keyword":["Surfaces","Coatings and Films","Physical and Theoretical Chemistry","General Energy","Electronic","Optical and Magnetic Materials"],"user_id":"71051","title":"Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials","doi":"10.1021/acs.jpcc.1c03947","_id":"33651","date_updated":"2022-10-10T08:18:22Z","publisher":"American Chemical Society (ACS)","date_created":"2022-10-10T08:17:26Z","status":"public","language":[{"iso":"eng"}],"year":"2021","publication_identifier":{"issn":["1932-7447","1932-7455"]},"publication_status":"published","citation":{"mla":"Sahoo, Sudhir K., et al. “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” <i>The Journal of Physical Chemistry C</i>, vol. 125, no. 25, American Chemical Society (ACS), 2021, pp. 13749–58, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">10.1021/acs.jpcc.1c03947</a>.","bibtex":"@article{Sahoo_Teixeira_Naik_Heske_Cruz_Antonietti_Savateev_Kühne_2021, title={Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">10.1021/acs.jpcc.1c03947</a>}, number={25}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society (ACS)}, author={Sahoo, Sudhir K. and Teixeira, Ivo F. and Naik, Aakash and Heske, Julian Joachim and Cruz, Daniel and Antonietti, Markus and Savateev, Aleksandr and Kühne, Thomas}, year={2021}, pages={13749–13758} }","short":"S.K. Sahoo, I.F. Teixeira, A. Naik, J.J. Heske, D. Cruz, M. Antonietti, A. Savateev, T. Kühne, The Journal of Physical Chemistry C 125 (2021) 13749–13758.","apa":"Sahoo, S. K., Teixeira, I. F., Naik, A., Heske, J. J., Cruz, D., Antonietti, M., Savateev, A., &#38; Kühne, T. (2021). Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials. <i>The Journal of Physical Chemistry C</i>, <i>125</i>(25), 13749–13758. <a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">https://doi.org/10.1021/acs.jpcc.1c03947</a>","ama":"Sahoo SK, Teixeira IF, Naik A, et al. Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials. <i>The Journal of Physical Chemistry C</i>. 2021;125(25):13749-13758. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">10.1021/acs.jpcc.1c03947</a>","chicago":"Sahoo, Sudhir K., Ivo F. Teixeira, Aakash Naik, Julian Joachim Heske, Daniel Cruz, Markus Antonietti, Aleksandr Savateev, and Thomas Kühne. “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.” <i>The Journal of Physical Chemistry C</i> 125, no. 25 (2021): 13749–58. <a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">https://doi.org/10.1021/acs.jpcc.1c03947</a>.","ieee":"S. K. Sahoo <i>et al.</i>, “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials,” <i>The Journal of Physical Chemistry C</i>, vol. 125, no. 25, pp. 13749–13758, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.1c03947\">10.1021/acs.jpcc.1c03947</a>."},"department":[{"_id":"613"}],"author":[{"full_name":"Sahoo, Sudhir K.","first_name":"Sudhir K.","last_name":"Sahoo"},{"last_name":"Teixeira","first_name":"Ivo F.","full_name":"Teixeira, Ivo F."},{"last_name":"Naik","full_name":"Naik, Aakash","first_name":"Aakash"},{"last_name":"Heske","id":"53238","first_name":"Julian Joachim","full_name":"Heske, Julian Joachim"},{"last_name":"Cruz","full_name":"Cruz, Daniel","first_name":"Daniel"},{"last_name":"Antonietti","full_name":"Antonietti, Markus","first_name":"Markus"},{"last_name":"Savateev","first_name":"Aleksandr","full_name":"Savateev, Aleksandr"},{"full_name":"Kühne, Thomas","first_name":"Thomas","last_name":"Kühne","id":"49079"}],"intvolume":"       125"},{"citation":{"apa":"Mirhosseini, H., Tahmasbi, H., Kuchana, S. R., Ghasemi, A., &#38; Kühne, T. (2021). An automated approach for developing neural network interatomic potentials with FLAME. <i>Computational Materials Science</i>, <i>197</i>, Article 110567. <a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">https://doi.org/10.1016/j.commatsci.2021.110567</a>","ama":"Mirhosseini H, Tahmasbi H, Kuchana SR, Ghasemi A, Kühne T. An automated approach for developing neural network interatomic potentials with FLAME. <i>Computational Materials Science</i>. 2021;197. doi:<a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>","chicago":"Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi, and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” <i>Computational Materials Science</i> 197 (2021). <a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">https://doi.org/10.1016/j.commatsci.2021.110567</a>.","ieee":"H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An automated approach for developing neural network interatomic potentials with FLAME,” <i>Computational Materials Science</i>, vol. 197, Art. no. 110567, 2021, doi: <a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>.","mla":"Mirhosseini, Hossein, et al. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.” <i>Computational Materials Science</i>, vol. 197, 110567, Elsevier BV, 2021, doi:<a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>.","bibtex":"@article{Mirhosseini_Tahmasbi_Kuchana_Ghasemi_Kühne_2021, title={An automated approach for developing neural network interatomic potentials with FLAME}, volume={197}, DOI={<a href=\"https://doi.org/10.1016/j.commatsci.2021.110567\">10.1016/j.commatsci.2021.110567</a>}, number={110567}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Mirhosseini, Hossein and Tahmasbi, Hossein and Kuchana, Sai Ram and Ghasemi, Alireza and Kühne, Thomas}, year={2021} }","short":"H. Mirhosseini, H. Tahmasbi, S.R. Kuchana, A. Ghasemi, T. Kühne, Computational Materials Science 197 (2021)."},"user_id":"71051","keyword":["Computational Mathematics","General Physics and Astronomy","Mechanics of Materials","General Materials Science","General Chemistry","General Computer Science"],"publication_status":"published","department":[{"_id":"613"}],"title":"An automated approach for developing neural network interatomic potentials with FLAME","author":[{"orcid":"0000-0001-6179-1545","first_name":"Hossein","full_name":"Mirhosseini, Hossein","id":"71051","last_name":"Mirhosseini"},{"last_name":"Tahmasbi","full_name":"Tahmasbi, Hossein","first_name":"Hossein"},{"full_name":"Kuchana, Sai Ram","first_name":"Sai Ram","last_name":"Kuchana"},{"id":"77282","last_name":"Ghasemi","first_name":"Alireza","full_name":"Ghasemi, Alireza"},{"full_name":"Kühne, Thomas","first_name":"Thomas","last_name":"Kühne","id":"49079"}],"doi":"10.1016/j.commatsci.2021.110567","intvolume":"       197","_id":"33657","volume":197,"article_number":"110567","date_updated":"2022-10-10T08:24:13Z","publication":"Computational Materials Science","date_created":"2022-10-10T08:23:50Z","publisher":"Elsevier BV","publication_identifier":{"issn":["0927-0256"]},"type":"journal_article","year":"2021","language":[{"iso":"eng"}],"status":"public"},{"article_number":"015001","issue":"1","volume":5,"type":"journal_article","publication":"Journal of Physics: Materials","keyword":["Condensed Matter Physics","General Materials Science","Atomic and Molecular Physics","and Optics"],"user_id":"71051","abstract":[{"text":"<jats:title>Abstract</jats:title>\r\n               <jats:p>We performed a virtual materials screening to identify promising topological materials for photocatalytic water splitting under visible light irradiation. Topological compounds were screened based on band gap, band edge energy, and thermodynamics stability criteria. In addition, topological types for our final candidates were computed based on electronic structures calculated usingthe hybrid density functional theory including exact Hartree–Fock exchange. Our final list contains materials which have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable for water oxidation and reduction. However, the topological types of these compounds calculated with the hybrid functional differ from those reported previously. To that end, we discuss the importance of computational methods for the calculation of atomic and electronic structures in materials screening processes.</jats:p>","lang":"eng"}],"doi":"10.1088/2515-7639/ac363d","title":"On topological materials as photocatalysts for water splitting by visible light","date_updated":"2022-10-10T08:25:30Z","_id":"33659","language":[{"iso":"eng"}],"publication_identifier":{"issn":["2515-7639"]},"year":"2021","status":"public","date_created":"2022-10-10T08:25:19Z","publisher":"IOP Publishing","department":[{"_id":"613"}],"citation":{"mla":"Ranjbar, Ahmad, et al. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, 015001, IOP Publishing, 2021, doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>.","bibtex":"@article{Ranjbar_Mirhosseini_Kühne_2021, title={On topological materials as photocatalysts for water splitting by visible light}, volume={5}, DOI={<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>}, number={1015001}, journal={Journal of Physics: Materials}, publisher={IOP Publishing}, author={Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas}, year={2021} }","short":"A. Ranjbar, H. Mirhosseini, T. Kühne, Journal of Physics: Materials 5 (2021).","apa":"Ranjbar, A., Mirhosseini, H., &#38; Kühne, T. (2021). On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>, <i>5</i>(1), Article 015001. <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>","ama":"Ranjbar A, Mirhosseini H, Kühne T. On topological materials as photocatalysts for water splitting by visible light. <i>Journal of Physics: Materials</i>. 2021;5(1). doi:<a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>","chicago":"Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.” <i>Journal of Physics: Materials</i> 5, no. 1 (2021). <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">https://doi.org/10.1088/2515-7639/ac363d</a>.","ieee":"A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts for water splitting by visible light,” <i>Journal of Physics: Materials</i>, vol. 5, no. 1, Art. no. 015001, 2021, doi: <a href=\"https://doi.org/10.1088/2515-7639/ac363d\">10.1088/2515-7639/ac363d</a>."},"publication_status":"published","intvolume":"         5","author":[{"last_name":"Ranjbar","full_name":"Ranjbar, Ahmad","first_name":"Ahmad"},{"orcid":"0000-0001-6179-1545","first_name":"Hossein","full_name":"Mirhosseini, Hossein","last_name":"Mirhosseini","id":"71051"},{"id":"49079","last_name":"Kühne","full_name":"Kühne, Thomas","first_name":"Thomas"}]}]