@article{34476, author = {{Rambaud, Alexandre JM and Neri, Thomas and Dingenen, Bart and Parker, David and Servien, Elvire and Gokeler, Alli and Edouard, Pascal}}, issn = {{1877-0657}}, journal = {{Annals of Physical and Rehabilitation Medicine}}, keywords = {{Rehabilitation, Orthopedics and Sports Medicine}}, number = {{4}}, publisher = {{Elsevier BV}}, title = {{{The modifying factors that help improve anterior cruciate ligament reconstruction rehabilitation: A narrative review}}}, doi = {{10.1016/j.rehab.2021.101601}}, volume = {{65}}, year = {{2021}}, } @article{34647, author = {{Brögelmann, T and Bobzin, K and Grundmeier, Guido and de los Arcos, T and Kruppe, N C and Schwiderek, S and Carlet, M}}, issn = {{0022-3727}}, journal = {{Journal of Physics D: Applied Physics}}, keywords = {{Surfaces, Coatings and Films, Acoustics and Ultrasonics, Condensed Matter Physics, Electronic, Optical and Magnetic Materials}}, number = {{3}}, publisher = {{IOP Publishing}}, title = {{{Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions}}}, doi = {{10.1088/1361-6463/ac2e31}}, volume = {{55}}, year = {{2021}}, } @article{29210, abstract = {{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.}}, author = {{Wu, Liang and Scheytt, J. Christoph}}, issn = {{1549-8328}}, journal = {{IEEE Transactions on Circuits and Systems I: Regular Papers}}, keywords = {{Electrical and Electronic Engineering}}, number = {{9}}, pages = {{3668--3681}}, publisher = {{Institute of Electrical and Electronics Engineers (IEEE)}}, 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}}, volume = {{68}}, year = {{2021}}, } @article{29214, abstract = {{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.}}, author = {{Schönhärl, Korinna}}, issn = {{2196-6842}}, journal = {{Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook}}, keywords = {{Economics and Econometrics, History}}, number = {{2}}, pages = {{473--503}}, publisher = {{Walter de Gruyter GmbH}}, title = {{{Steuerzahlverhalten quantifizieren}}}, doi = {{10.1515/jbwg-2021-0017}}, volume = {{62}}, year = {{2021}}, } @article{29218, abstract = {{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.}}, author = {{Schönhärl, Korinna and Spoerer, Mark}}, issn = {{2196-6842}}, journal = {{Jahrbuch für Wirtschaftsgeschichte / Economic History Yearbook}}, keywords = {{Economics and Econometrics, History}}, number = {{2}}, pages = {{291--302}}, publisher = {{Walter de Gruyter GmbH}}, title = {{{Einleitung: Staatsfinanzen und Konflikt}}}, doi = {{10.1515/jbwg-2021-0011}}, volume = {{62}}, year = {{2021}}, } @article{29300, abstract = {{ZusammenfassungCoworking 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.}}, author = {{Mirbabaie, Milad and Hofeditz, Lennart and Schmid, Leon}}, issn = {{1436-3011}}, journal = {{HMD Praxis der Wirtschaftsinformatik}}, keywords = {{General Earth and Planetary Sciences, General Environmental Science}}, publisher = {{Springer Fachmedien Wiesbaden GmbH}}, title = {{{Ausgestaltungs- und Anwendungspotenziale von Virtual und Augmented Reality Technologien im Kontext von Coworking Spaces}}}, doi = {{10.1365/s40702-021-00818-9}}, year = {{2021}}, } @article{29301, abstract = {{ZusammenfassungDurch 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.}}, author = {{Fromm, Jennifer and Slawinski, Elena and Mirbabaie, Milad}}, issn = {{1436-3011}}, journal = {{HMD Praxis der Wirtschaftsinformatik}}, keywords = {{General Earth and Planetary Sciences, General Environmental Science}}, publisher = {{Springer Fachmedien Wiesbaden GmbH}}, title = {{{Affordance-Experimentation: Eine Fallstudie zur Entwicklung von Virtual-Reality-Anwendungsfällen im Unternehmenskontext}}}, doi = {{10.1365/s40702-021-00828-7}}, year = {{2021}}, } @article{29216, abstract = {{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.}}, author = {{Schönhärl, Korinna}}, issn = {{0007-6791}}, journal = {{Business History}}, keywords = {{History, Business, Management and Accounting (miscellaneous), Business and International Management}}, number = {{4}}, pages = {{557--573}}, publisher = {{Informa UK Limited}}, 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}}}, doi = {{10.1080/00076791.2019.1593373}}, volume = {{63}}, year = {{2021}}, } @article{29543, author = {{Djema, Walid and Giraldi, Laetitia and Maslovskaya, Sofya and Bernard, Olivier}}, issn = {{0005-1098}}, journal = {{Automatica}}, keywords = {{Electrical and Electronic Engineering, Control and Systems Engineering}}, publisher = {{Elsevier BV}}, title = {{{Turnpike features in optimal selection of species represented by quota models}}}, doi = {{10.1016/j.automatica.2021.109804}}, volume = {{132}}, year = {{2021}}, } @inbook{29720, author = {{Passey, Don and Brinda, Torsten and Cornu, Bernard and Holvikivi, Jaana and Lewin, Cathy and Magenheim, Johannes and Morel, Raymond and Osorio, Javier and Tatnall, Arthur and Thompson, Barrie and Webb, Mary}}, booktitle = {{Advancing Research in Information and Communication Technology}}, editor = {{Goedicke, Michael and Neuhold, Erich and Rannenberg, Kai}}, isbn = {{978-3-030-81700-8}}, issn = {{1868-422X}}, keywords = {{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}}, pages = {{129--152}}, publisher = {{Springer, Cham}}, title = {{{Computers and Education – Recognising Opportunities and Managing Challenges}}}, doi = {{10.1007/978-3-030-81701-5_5}}, volume = {{AICT-600}}, year = {{2021}}, } @article{32810, author = {{Li, Jiaao and Ma, Yulai and Shi, Yongtang and Wang, Weifan and Wu, Yezhou}}, issn = {{0195-6698}}, journal = {{European Journal of Combinatorics}}, keywords = {{Discrete Mathematics and Combinatorics}}, publisher = {{Elsevier BV}}, title = {{{On 3-flow-critical graphs}}}, doi = {{10.1016/j.ejc.2021.103451}}, volume = {{100}}, year = {{2021}}, } @article{33008, author = {{Ludwig-Walz, Helena and Nyasordzi, Juliana and Weber, Katharina S. and Buyken, Anette and Kroke, Anja}}, issn = {{0939-4753}}, journal = {{Nutrition, Metabolism and Cardiovascular Diseases}}, keywords = {{Cardiology and Cardiovascular Medicine, Nutrition and Dietetics, Endocrinology, Diabetes and Metabolism, Medicine (miscellaneous)}}, number = {{4}}, pages = {{833--852}}, publisher = {{Elsevier BV}}, title = {{{Maternal pregnancy weight or gestational weight gain and offspring's blood pressure: A systematic review}}}, doi = {{10.1016/j.numecd.2021.11.011}}, volume = {{32}}, year = {{2021}}, } @article{33587, abstract = {{Abstract 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.}}, author = {{Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas D}}, issn = {{2515-7639}}, journal = {{Journal of Physics: Materials}}, keywords = {{Condensed Matter Physics, General Materials Science, Atomic and Molecular Physics, and Optics}}, number = {{1}}, publisher = {{IOP Publishing}}, title = {{{On topological materials as photocatalysts for water splitting by visible light}}}, doi = {{10.1088/2515-7639/ac363d}}, volume = {{5}}, year = {{2021}}, } @article{33643, abstract = {{The origin of strong interactions between water molecules and porous C2N surfaces is investigated by using a combination of model materials, volumetric physisorption measurements, solid-state NMR spectroscopy, and DFT calculations.}}, 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}}, issn = {{2050-7488}}, journal = {{Journal of Materials Chemistry A}}, keywords = {{General Materials Science, Renewable Energy, Sustainability and the Environment, General Chemistry}}, number = {{39}}, pages = {{22563--22572}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C2N materials}}}, doi = {{10.1039/d1ta05122a}}, volume = {{9}}, year = {{2021}}, } @article{33644, author = {{Pylaeva, Svetlana and Marx, Patrick and Singh, Gurjot and Kühne, Thomas and Roemelt, Michael and Elgabarty, Hossam}}, issn = {{1089-5639}}, journal = {{The Journal of Physical Chemistry A}}, keywords = {{Physical and Theoretical Chemistry}}, number = {{3}}, pages = {{867--874}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids}}}, doi = {{10.1021/acs.jpca.0c11296}}, volume = {{125}}, year = {{2021}}, } @article{33649, author = {{Kessler, Jan and Calcavecchia, Francesco and Kühne, Thomas}}, issn = {{2513-0390}}, journal = {{Advanced Theory and Simulations}}, keywords = {{Multidisciplinary, Modeling and Simulation, Numerical Analysis, Statistics and Probability}}, number = {{4}}, publisher = {{Wiley}}, title = {{{Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo}}}, doi = {{10.1002/adts.202000269}}, volume = {{4}}, year = {{2021}}, } @article{33648, author = {{Ghasemi, Alireza and Kühne, Thomas}}, issn = {{0021-9606}}, journal = {{The Journal of Chemical Physics}}, keywords = {{Physical and Theoretical Chemistry, General Physics and Astronomy}}, number = {{7}}, publisher = {{AIP Publishing}}, title = {{{Artificial neural networks for the kinetic energy functional of non-interacting fermions}}}, doi = {{10.1063/5.0037319}}, volume = {{154}}, year = {{2021}}, } @article{33655, abstract = {{Abstract 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 6 − ), perchlorate (ClO 4 − ), bis(fluorosulfonyl)imide (FSI−), and bis(trifluoromethanesulfonyl)imide (TFSI−), 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 6 − are the most stable ones. These PF 6 − 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.}}, author = {{Chugh, Manjusha and Jain, Mitisha and Wang, Gang and Nia, Ali Shaygan and Mirhosseini, Hossein and Kühne, Thomas}}, issn = {{2053-1591}}, journal = {{Materials Research Express}}, keywords = {{Metals and Alloys, Polymers and Plastics, Surfaces, Coatings and Films, Biomaterials, Electronic, Optical and Magnetic Materials}}, number = {{8}}, publisher = {{IOP Publishing}}, title = {{{A combinatorial study of electrochemical anion intercalation into graphite}}}, doi = {{10.1088/2053-1591/ac1965}}, volume = {{8}}, year = {{2021}}, } @article{33658, abstract = {{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.}}, author = {{Partovi-Azar, Pouya and Kühne, Thomas}}, issn = {{2072-666X}}, journal = {{Micromachines}}, keywords = {{Electrical and Electronic Engineering, Mechanical Engineering, Control and Systems Engineering}}, number = {{10}}, publisher = {{MDPI AG}}, title = {{{Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase}}}, doi = {{10.3390/mi12101212}}, volume = {{12}}, year = {{2021}}, } @article{33651, 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}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}}, number = {{25}}, pages = {{13749--13758}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials}}}, doi = {{10.1021/acs.jpcc.1c03947}}, volume = {{125}}, year = {{2021}}, }