@techreport{23533, author = {{Stark, Rainer and Thoben, Klaus-Dieter and Gerhard, Detlef and Hick, Hannes and Kirchner, Eckhard and Anderl, Reiner and Wartzack, Sandro and Krause, Frank-Lothar and Gräßler, Iris and Pottebaum, Jens and Schleich, Benjamin and Stelzer, Ralph and Klein, Patrick and Saske, Bernhard and Czwick, Cordula and Gogineni, Sonika and Klimmeck, Lukas and Bajzek, Matthias and Jacobs, Georg and Berroth, Joerg and Zimmermann, Thomas and Kranabitl, Philipp and Göckel, Nicole}}, publisher = {{Wissenschaftliche Gesellschaft für Produktentwicklung (WiGeP)}}, title = {{{Digitaler Zwilling - WiGeP Positionspapier}}}, year = {{2020}}, } @article{23599, abstract = {{Grazing-incidence wide-angle X-ray scattering (GIWAXS) has become an increasingly popular technique for quantitative structural characterization and comparison of thin films. For this purpose, accurate intensity normalization and peak position determination are crucial. At present, few tools exist to estimate the uncertainties of these measurements. Here, a simulation package is introduced called GIWAXS-SIIRkit, where SIIR stands for scattering intensity, indexing and refraction. The package contains several tools that are freely available for download and can be executed in MATLAB. The package includes three functionalities: estimation of the relative scattering intensity and the corresponding uncertainty based on experimental setup and sample dimensions; extraction and indexing of peak positions to approximate the crystal structure of organic materials starting from calibrated GIWAXS patterns; and analysis of the effects of refraction on peak positions. Each tool is based on a graphical user interface and designed to have a short learning curve. A user guide is provided with detailed usage instruction, tips for adding functionality and customization, and exemplary files.}}, author = {{Savikhin, Victoria and Steinrück, Hans-Georg and Liang, Ru-Ze and Collins, Brian A. and Oosterhout, Stefan D. and Beaujuge, Pierre M. and Toney, Michael F.}}, issn = {{1600-5767}}, journal = {{Journal of Applied Crystallography}}, pages = {{1108--1129}}, title = {{{GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials}}}, doi = {{10.1107/s1600576720005476}}, volume = {{53}}, year = {{2020}}, } @article{23600, author = {{Gebers, Jan and Özen, Bilal and Hartmann, Lucia and Schaer, Michel and Suàrez, Stéphane and Bugnon, Philippe and Scopelliti, Rosario and Steinrück, Hans-Georg and Konovalov, Oleg and Magerl, Andreas and Brinkmann, Martin and Petraglia, Riccardo and Silva, Piotr and Corminboeuf, Clémence and Frauenrath, Holger}}, issn = {{0947-6539}}, journal = {{Chemistry – A European Journal}}, pages = {{10265--10275}}, title = {{{Crystallization and Organic Field‐Effect Transistor Performance of a Hydrogen‐Bonded Quaterthiophene}}}, doi = {{10.1002/chem.201904562}}, volume = {{26}}, year = {{2020}}, } @article{23601, author = {{Abdelsamie, Maged and Xu, Junwei and Bruening, Karsten and Tassone, Christopher J. and Steinrück, Hans-Georg and Toney, Michael F.}}, issn = {{1616-301X}}, journal = {{Advanced Functional Materials}}, pages = {{2001752}}, title = {{{Impact of Processing on Structural and Compositional Evolution in Mixed Metal Halide Perovskites during Film Formation}}}, doi = {{10.1002/adfm.202001752}}, volume = {{30}}, year = {{2020}}, } @article{23602, author = {{Tanim, Tanvir R. and Paul, Partha P. and Thampy, Vivek and Cao, Chuntian and Steinrück, Hans-Georg and Nelson Weker, Johanna and Toney, Michael F. and Dufek, Eric J. and Evans, Michael C. and Jansen, Andrew N. and Polzin, Bryant J. and Dunlop, Alison R. and Trask, Stephen E.}}, issn = {{2666-3864}}, journal = {{Cell Reports Physical Science}}, pages = {{100114}}, title = {{{Heterogeneous Behavior of Lithium Plating during Extreme Fast Charging}}}, doi = {{10.1016/j.xcrp.2020.100114}}, volume = {{1}}, year = {{2020}}, } @article{23603, author = {{Bone, Sharon E. and Steinrück, Hans-Georg and Toney, Michael F.}}, issn = {{2542-4351}}, journal = {{Joule}}, pages = {{1637--1659}}, title = {{{Advanced Characterization in Clean Water Technologies}}}, doi = {{10.1016/j.joule.2020.06.020}}, volume = {{4}}, year = {{2020}}, } @article{23604, abstract = {{

Investigation of the mechanisms underlying control of electrodeposited lithium metal morphology using electrolyte additives in lithium metal batteries.

}}, author = {{Kasse, Robert M. and Geise, Natalie R. and Ko, Jesse S. and Nelson Weker, Johanna and Steinrück, Hans-Georg and Toney, Michael F.}}, issn = {{2050-7488}}, journal = {{Journal of Materials Chemistry A}}, pages = {{16960--16972}}, title = {{{Understanding additive controlled lithium morphology in lithium metal batteries}}}, doi = {{10.1039/d0ta06020h}}, volume = {{8}}, year = {{2020}}, } @article{23605, author = {{Paulsen, Bryan D. and Wu, Ruiheng and Takacs, Christopher J. and Steinrück, Hans-Georg and Strzalka, Joseph and Zhang, Qingteng and Toney, Michael F. and Rivnay, Jonathan}}, issn = {{0935-9648}}, journal = {{Advanced Materials}}, pages = {{2003404}}, title = {{{Time‐Resolved Structural Kinetics of an Organic Mixed Ionic–Electronic Conductor}}}, doi = {{10.1002/adma.202003404}}, volume = {{32}}, year = {{2020}}, } @article{23606, author = {{Steinrück, Hans-Georg and Cao, Chuntian and Lukatskaya, Maria R. and Takacs, Christopher J. and Wan, Gang and Mackanic, David G. and Tsao, Yuchi and Zhao, Jingbo and Helms, Brett A. and Xu, Kang and Borodin, Oleg and Wishart, James F. and Toney, Michael F.}}, issn = {{1433-7851}}, journal = {{Angewandte Chemie International Edition}}, pages = {{23180--23187}}, title = {{{Interfacial Speciation Determines Interfacial Chemistry: X‐ray‐Induced Lithium Fluoride Formation from Water‐in‐salt Electrolytes on Solid Surfaces}}}, doi = {{10.1002/anie.202007745}}, volume = {{59}}, year = {{2020}}, } @article{23607, abstract = {{

Direct measurements of concentration and velocity profiles in a polymeric lithium-ion battery electrolyte provide insights into the transference number.

}}, author = {{Steinrück, Hans-Georg and Takacs, Christopher J. and Kim, Hong-Keun and Mackanic, David G. and Holladay, Benjamin and Cao, Chuntian and Narayanan, Suresh and Dufresne, Eric M. and Chushkin, Yuriy and Ruta, Beatrice and Zontone, Federico and Will, Johannes and Borodin, Oleg and Sinha, Sunil K. and Srinivasan, Venkat and Toney, Michael F.}}, issn = {{1754-5692}}, journal = {{Energy & Environmental Science}}, pages = {{4312--4321}}, title = {{{Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte}}}, doi = {{10.1039/d0ee02193h}}, volume = {{13}}, year = {{2020}}, }