@article{40433,
  author       = {{Dong, Chuan-Ding and Schumacher, Stefan}},
  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       = {{40}},
  pages        = {{21824--21830}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Microscopic Insights into Charge Formation and Energetics in n-Doped Organic Semiconductors}}},
  doi          = {{10.1021/acs.jpcc.1c05666}},
  volume       = {{125}},
  year         = {{2021}},
}

@article{40571,
  author       = {{Kossmann, Janina and Piankova, Diana and Tarakina, Nadezda V. and Heske, Julian and Kühne, Thomas D. and Schmidt, Johannes and Antonietti, Markus and Lopez Salas, Nieves}},
  issn         = {{0008-6223}},
  journal      = {{Carbon}},
  keywords     = {{General Chemistry, General Materials Science}},
  publisher    = {{Elsevier BV}},
  title        = {{{Corrigendum to ‘Guanine condensates as covalent materials and the concept of cryptopores’ [Carbon 172 (2021) 497–505]}}},
  doi          = {{10.1016/j.carbon.2021.06.084}},
  volume       = {{182}},
  year         = {{2021}},
}

@article{32246,
  abstract     = {{<p>State-of-the-art methods in materials science such as artificial intelligence and data-driven techniques advance the investigation of photovoltaic materials.</p>}},
  author       = {{Mirhosseini, Hossein and Kormath Madam Raghupathy, Ramya and Sahoo, Sudhir K. and Wiebeler, Hendrik and Chugh, Manjusha and Kühne, Thomas D.}},
  issn         = {{1463-9076}},
  journal      = {{Physical Chemistry Chemical Physics}},
  keywords     = {{Physical and Theoretical Chemistry, General Physics and Astronomy}},
  number       = {{46}},
  pages        = {{26682--26701}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{<i>In silico</i> investigation of Cu(In,Ga)Se<sub>2</sub>-based solar cells}}},
  doi          = {{10.1039/d0cp04712k}},
  volume       = {{22}},
  year         = {{2020}},
}

@article{34301,
  abstract     = {{<p>
						<italic>Ab initio</italic> molecular dynamics simulations of ambient liquid water and energy decomposition analysis have recently shown that water molecules exhibit significant asymmetry between the strengths of the two donor and/or the two acceptor interactions.</p>}},
  author       = {{Elgabarty, Hossam and Kühne, Thomas}},
  issn         = {{1463-9076}},
  journal      = {{Physical Chemistry Chemical Physics}},
  keywords     = {{Physical and Theoretical Chemistry, General Physics and Astronomy}},
  number       = {{19}},
  pages        = {{10397--10411}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Tumbling with a limp: local asymmetry in water's hydrogen bond network and its consequences}}},
  doi          = {{10.1039/c9cp06960g}},
  volume       = {{22}},
  year         = {{2020}},
}

@article{32491,
  author       = {{Trubachev, S.A. and Korobeinichev, O.P. and Karpov, A.I. and Shaklein, A.A. and Glaznev, R.K. and Gonchikzhapov, M.B. and Paletsky, A.A. and Tereshchenko, A.G. and Shmakov, A.G. and Bespalova, A.S. and Yuan, Hu and Xin, Wang and Weizhao, Hu}},
  issn         = {{1540-7489}},
  journal      = {{Proceedings of the Combustion Institute}},
  keywords     = {{Physical and Theoretical Chemistry, Mechanical Engineering, General Chemical Engineering}},
  number       = {{3}},
  pages        = {{4635--4644}},
  publisher    = {{Elsevier BV}},
  title        = {{{The effect of triphenyl phosphate inhibition on flame propagation over cast PMMA slabs}}},
  doi          = {{10.1016/j.proci.2020.05.043}},
  volume       = {{38}},
  year         = {{2020}},
}

@article{33646,
  author       = {{Majumdar, I. and Sahoo, S.K. and Parvan, V. and Mirhosseini, Hossein and Chacko, B. and Wang, Y. and Greiner, D. and Kühne, Thomas and Schlatmann, R. and Lauermann, I.}},
  issn         = {{0169-4332}},
  journal      = {{Applied Surface Science}},
  keywords     = {{Surfaces, Coatings and Films, Condensed Matter Physics, Surfaces and Interfaces, General Physics and Astronomy, General Chemistry}},
  publisher    = {{Elsevier BV}},
  title        = {{{Effects of KF and RbF treatments on Cu(In,Ga)Se2-based solar cells: A combined photoelectron spectroscopy and DFT study}}},
  doi          = {{10.1016/j.apsusc.2020.148085}},
  volume       = {{538}},
  year         = {{2020}},
}

@article{33647,
  author       = {{Kossmann, Janina and Piankova, Diana and Tarakina, Nadezda V. and Heske, Julian Joachim and Kühne, Thomas and Schmidt, Johannes and Antonietti, Markus and López-Salas, Nieves}},
  issn         = {{0008-6223}},
  journal      = {{Carbon}},
  keywords     = {{General Chemistry, General Materials Science}},
  pages        = {{497--505}},
  publisher    = {{Elsevier BV}},
  title        = {{{Guanine condensates as covalent materials and the concept of cryptopores}}},
  doi          = {{10.1016/j.carbon.2020.10.047}},
  volume       = {{172}},
  year         = {{2020}},
}

@article{35328,
  author       = {{Wortmann, Martin and Frese, Natalie and Keil, Waldemar and Brikmann, Johannes and Biedinger, Jan and Brockhagen, Bennet and Reiss, Günter and Schmidt, Claudia and Gölzhäuser, Armin and Moritzer, Elmar and Hüsgen, Bruno}},
  issn         = {{2637-6105}},
  journal      = {{ACS Applied Polymer Materials}},
  keywords     = {{Organic Chemistry, Polymers and Plastics, Process Chemistry and Technology}},
  number       = {{11}},
  pages        = {{4719--4732}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{The Deterioration Mechanism of Silicone Molds in Polyurethane Vacuum Casting}}},
  doi          = {{10.1021/acsapm.0c00744}},
  volume       = {{2}},
  year         = {{2020}},
}

@article{35723,
  abstract     = {{<jats:p>The development of renewable energies and smart mobility has profoundly impacted the future of the distribution grid. An increasing bidirectional energy flow stresses the assets of the distribution grid, especially medium voltage switchgear. This calls for improved maintenance strategies to prevent critical failures. Predictive maintenance, a maintenance strategy relying on current condition data of assets, serves as a guideline. Novel sensors covering thermal, mechanical, and partial discharge aspects of switchgear, enable continuous condition monitoring of some of the most critical assets of the distribution grid. Combined with machine learning algorithms, the demands put on the distribution grid by the energy and mobility revolutions can be handled. In this paper, we review the current state-of-the-art of all aspects of condition monitoring for medium voltage switchgear. Furthermore, we present an approach to develop a predictive maintenance system based on novel sensors and machine learning. We show how the existing medium voltage grid infrastructure can adapt these new needs on an economic scale.</jats:p>}},
  author       = {{Hoffmann, Martin W. and Wildermuth, Stephan and Gitzel, Ralf and Boyaci, Aydin and Gebhardt, Jörg and Kaul, Holger and Amihai, Ido and Forg, Bodo and Suriyah, Michael and Leibfried, Thomas and Stich, Volker and Hicking, Jan and Bremer, Martin and Kaminski, Lars and Beverungen, Daniel and zur Heiden, Philipp and Tornede, Tanja}},
  issn         = {{1424-8220}},
  journal      = {{Sensors}},
  keywords     = {{Electrical and Electronic Engineering, Biochemistry, Instrumentation, Atomic and Molecular Physics, and Optics, Analytical Chemistry}},
  number       = {{7}},
  publisher    = {{MDPI AG}},
  title        = {{{Integration of Novel Sensors and Machine Learning for Predictive Maintenance in Medium Voltage Switchgear to Enable the Energy and Mobility Revolutions}}},
  doi          = {{10.3390/s20072099}},
  volume       = {{20}},
  year         = {{2020}},
}

@article{34091,
  author       = {{Kunnathully, Vinay S. and Riedl, Thomas and Trapp, Alexander and Langer, Timo and Reuter, Dirk and Lindner, Jörg}},
  issn         = {{0022-0248}},
  journal      = {{Journal of Crystal Growth}},
  keywords     = {{Materials Chemistry, Inorganic Chemistry, Condensed Matter Physics}},
  publisher    = {{Elsevier BV}},
  title        = {{{InAs heteroepitaxy on nanopillar-patterned GaAs (111)A}}},
  doi          = {{10.1016/j.jcrysgro.2020.125597}},
  volume       = {{537}},
  year         = {{2020}},
}

@article{34090,
  author       = {{Riedl, Thomas and Lindner, Jörg}},
  issn         = {{0038-1098}},
  journal      = {{Solid State Communications}},
  keywords     = {{Materials Chemistry, Condensed Matter Physics, General Chemistry}},
  publisher    = {{Elsevier BV}},
  title        = {{{Applicability of molecular statics simulation to partial dislocations in GaAs}}},
  doi          = {{10.1016/j.ssc.2020.113927}},
  volume       = {{314-315}},
  year         = {{2020}},
}

@article{34089,
  author       = {{Riedl, Thomas and Lindner, Jörg}},
  issn         = {{0038-1098}},
  journal      = {{Solid State Communications}},
  keywords     = {{Materials Chemistry, Condensed Matter Physics, General Chemistry}},
  publisher    = {{Elsevier BV}},
  title        = {{{Applicability of molecular statics simulation to partial dislocations in GaAs}}},
  doi          = {{10.1016/j.ssc.2020.113927}},
  volume       = {{314-315}},
  year         = {{2020}},
}

@article{47956,
  abstract     = {{Optically nonlinear Pb2B5O9X (X = Cl, Br) borate halides are an important group of materials for second harmonic generation (SHG). Additionally, they also possess excellent photocatalytic activity and stability in the process of dechlorination of chlorophenols, which are typical persistent organic pollutants. It would be of great interest to conduct in situ (photo‐) catalysis investigations during the whole photocatalytic process by SHG when considering them as photocatalytic materials. In order to get superior photocatalytic efficiency and maximum surface information, small particles are highly desired. Here, a low‐cost and fast synthesis route that allows growing microcrystalline optically nonlinear Pb<jats:sub>2</jats:sub>B<jats:sub>5</jats:sub>O<jats:sub>9</jats:sub>X borate halides at large quantities is introduced. When applying the ionothermal growth process at temperatures between 130 and 170 °C, microcrystallites with an average size of about 1 µm precipitate with an orthorhombic hilgardite‐like borate halide structure. Thorough examinations using powder X‐ray diffraction and scanning electron microscopy, the Pb2B5O9X microcrystals are indicated to be chemically pure and single‐phased. Besides, the Pb2B5O9X borate halides' SHG efficiencies are confirmed using confocal SHG microscopy. The low‐temperature synthesis route thus makes these borate halides a highly desirable material for surface studies such as monitoring chemical reactions with picosecond time resolution and in situ (photo‐) catalysis investigations.</jats:p>}},
  author       = {{Tan, Deming and Kirbus, Benjamin and Rüsing, Michael and Pietsch, Tobias and Ruck, Michael and Eng, Lukas M.}},
  issn         = {{1613-6810}},
  journal      = {{Small}},
  keywords     = {{Biomaterials, Biotechnology, General Materials Science, General Chemistry}},
  number       = {{23}},
  publisher    = {{Wiley}},
  title        = {{{Resource‐Efficient Low‐Temperature Synthesis of Microcrystalline Pb2B5O9X (X = Cl, Br) for Surfaces Studies by Optical Second Harmonic Generation}}},
  doi          = {{10.1002/smll.202000857}},
  volume       = {{16}},
  year         = {{2020}},
}

@article{46546,
  author       = {{Vukadinovic, Yannik and Burkhardt, Lukas and Päpcke, Ayla and Miletic, Anabel and Fritsch, Lorena and Altenburger, Björn and Schoch, Roland and Neuba, Adam and Lochbrunner, Stefan and Bauer, Matthias}},
  issn         = {{0020-1669}},
  journal      = {{Inorganic Chemistry}},
  keywords     = {{Inorganic Chemistry, Physical and Theoretical Chemistry}},
  number       = {{13}},
  pages        = {{8762--8774}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{When Donors Turn into Acceptors: Ground and Excited State Properties of Fe<sup>II</sup> Complexes with Amine-Substituted Tridentate Bis-imidazole-2-ylidene Pyridine Ligands}}},
  doi          = {{10.1021/acs.inorgchem.0c00393}},
  volume       = {{59}},
  year         = {{2020}},
}

@article{47579,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Die chemische Industrie sieht sich mit gravierenden Herausforderungen konfrontiert: Die Einhaltung der Klimaschutzziele, die Auswirkungen der Energiewende und die zunehmende Bedeutung der Kreislaufwirtschaft treffen die gesamte Wertschöpfungskette. Lösungsansätze von der Prozess‐ über die Apparateebene bis hin zum Einzelphänomen sind notwendig, um die Wettbewerbsfähigkeit dieses zentralen Industriezweigs zu erhalten. In diesem Beitrag werden aktuelle Entwicklungen und zukünftige Handlungsfelder in der Trenntechnik, die für diese Herausforderungen wertvolle Beiträge leisten können, dargestellt.</jats:p>}},
  author       = {{Riese, Julia and Hoff, Andreas and Stock, Jürgen and Górak, Andrzej and Grünewald, Marcus}},
  issn         = {{0009-286X}},
  journal      = {{Chemie Ingenieur Technik}},
  keywords     = {{Industrial and Manufacturing Engineering, General Chemical Engineering, General Chemistry}},
  number       = {{7}},
  pages        = {{818--830}},
  publisher    = {{Wiley}},
  title        = {{{Separation Units 4.0 – Trennapparate heute und morgen}}},
  doi          = {{10.1002/cite.202000032}},
  volume       = {{92}},
  year         = {{2020}},
}

@article{47572,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Due to high energy‐intensive processes and a dependence on carbon‐based materials, the process industry plays a major role in climate change. Therefore, the substitution of fossil resources by bio‐based resources is indispensable. This leads to challenges arising from accompanying changes of the type, amount and location of resources. At the same time, transformable production systems are currently in the focus of research addressing the required flexibility. These systems which consist of modular production and logistics units offer the possibility to adapt flexibly in volatile conditions within dynamic supply chains. Hence, this work compiles elements for environmental sustainability, which minimize the carbon footprint in the process industry: transformable production systems, the utilization of bio‐based resources, carbon dioxide and renewable energy as well as the application of these elements in decentral production networks. Finally, possible use cases are determined based on the combination of these elements through a multi‐criteria analysis.</jats:p>}},
  author       = {{Pannok, Maik and Finkbeiner, Marco and Fasel, Henrik and Riese, Julia and Lier, Stefan}},
  issn         = {{2196-9744}},
  journal      = {{ChemBioEng Reviews}},
  keywords     = {{Industrial and Manufacturing Engineering, Filtration and Separation, Process Chemistry and Technology, Biochemistry, Chemical Engineering (miscellaneous), Bioengineering}},
  number       = {{6}},
  pages        = {{216--228}},
  publisher    = {{Wiley}},
  title        = {{{Transformable Decentral Production for Local Economies with Minimized Carbon Footprint}}},
  doi          = {{10.1002/cben.202000008}},
  volume       = {{7}},
  year         = {{2020}},
}

@article{47578,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>The change in process industry from fossil resources to alternative feedstock is indispensable due to the scarcity of resources and global warming. This leads to new challenges for the production systems. On the market side, rapid innovation is accompanied by shorter product life cycles leading to an increasing uncertainty of demand in terms of product type, volume and location. Therefore, the following five elements are combined into a concept to address these challenges: transformable production systems, local bio‐based resources, CO<jats:sub>2</jats:sub> as feedstock, renewable energy and decentral production network with local economies.</jats:p>}},
  author       = {{Finkbeiner, Marco and Pannok, Maik and Fasel, Henrik and Riese, Julia and Lier, Stefan}},
  issn         = {{0009-286X}},
  journal      = {{Chemie Ingenieur Technik}},
  keywords     = {{Industrial and Manufacturing Engineering, General Chemical Engineering, General Chemistry}},
  number       = {{12}},
  pages        = {{2041--2045}},
  publisher    = {{Wiley}},
  title        = {{{Modular Production with Bio‐Based Resources in a Decentral Production Network}}},
  doi          = {{10.1002/cite.202000072}},
  volume       = {{92}},
  year         = {{2020}},
}

@article{47574,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>In this paper, a newly designed distillation column consisting of a wetted wall with a rectangular cross section is analyzed and compared with a conventional packed column with regard to the operating range of both apparatuses. As expected, the pressure drop is considerably lower in the wetted‐wall column and, therefore, it offers a higher range of operation. However, in the wetted‐wall column, the separation efficiency decreases rapidly with increasing <jats:italic>F</jats:italic> factors. This effect can be overcome by the serial connection of two wetted‐wall columns.</jats:p>}},
  author       = {{Reitze, Arnulf and Grünewald, Marcus and Riese, Julia}},
  issn         = {{0009-286X}},
  journal      = {{Chemie Ingenieur Technik}},
  keywords     = {{Industrial and Manufacturing Engineering, General Chemical Engineering, General Chemistry}},
  number       = {{12}},
  pages        = {{1968--1975}},
  publisher    = {{Wiley}},
  title        = {{{Comparison of the Operating Range of a Wetted‐Wall Column with a Packed Column for Distillation}}},
  doi          = {{10.1002/cite.202000065}},
  volume       = {{92}},
  year         = {{2020}},
}

@article{47577,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>This study presents a new and innovative sieve tray design for a more flexible operation of separation columns in terms of possible throughput. The advantage of this new tray design is to ensure an optimal operation for varying feed flow rates and constant separation efficiencies for different load ranges. The aim of this work is to give a short introduction and an outlook to the investigation of the functionality of the designed trays. Moreover, the general design of the new trays, first results for CFD simulations of the dry pressure drop and the experimental setup are presented.</jats:p>}},
  author       = {{Fasel, Henrik and Grünewald, Marcus and Riese, Julia}},
  issn         = {{0009-286X}},
  journal      = {{Chemie Ingenieur Technik}},
  keywords     = {{Industrial and Manufacturing Engineering, General Chemical Engineering, General Chemistry}},
  number       = {{12}},
  pages        = {{2035--2040}},
  publisher    = {{Wiley}},
  title        = {{{New Column Design to Enhance Flexibility: Concept for Hydrodynamic Characterization}}},
  doi          = {{10.1002/cite.202000055}},
  volume       = {{92}},
  year         = {{2020}},
}

@article{47575,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Due to the increasing share of renewable energies in the power sector, the need for energy storage and flexible performance is rising. This study provides an in‐depth investigation of the flexibility of a Power‐to‐Gas plant for the production of synthetic natural gas. Model‐based analysis is conducted for the individual technologies PEM electrolysis, MEA absorption and fixed‐bed methanation as well as for the continuously operated process. This study reveals that the Power‐to‐Gas plant offers a capacity flexibility of 87–125 %, corresponding to 4.79–6.88 MW electrical input power.</jats:p>}},
  author       = {{Herrmann, Felix and Grünewald, Marcus and Riese, Julia}},
  issn         = {{0009-286X}},
  journal      = {{Chemie Ingenieur Technik}},
  keywords     = {{Industrial and Manufacturing Engineering, General Chemical Engineering, General Chemistry}},
  number       = {{12}},
  pages        = {{1983--1991}},
  publisher    = {{Wiley}},
  title        = {{{Flexibility of Power‐to‐Gas Plants: A Case Study}}},
  doi          = {{10.1002/cite.202000063}},
  volume       = {{92}},
  year         = {{2020}},
}