@article{51092,
  abstract     = {{<jats:p>Lewis-acid doping of organic semiconductors (OSCs) opens up new ways of p-type doping and has recently become of significant interest.</jats:p>}},
  author       = {{Bauch, Fabian and Dong, Chuan-Ding and Schumacher, Stefan}},
  issn         = {{2046-2069}},
  journal      = {{RSC Advances}},
  keywords     = {{General Chemical Engineering, General Chemistry}},
  number       = {{22}},
  pages        = {{13999--14006}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Protonation-induced charge transfer and polaron formation in organic semiconductors doped by Lewis acids}}},
  doi          = {{10.1039/d2ra02032g}},
  volume       = {{12}},
  year         = {{2022}},
}

@article{47562,
  author       = {{Herrmann, Felix and Grünewald, Marcus and Meijer, Tobias and Gardemann, Ulrich and Feierabend, Lukas and Riese, Julia}},
  issn         = {{0009-2509}},
  journal      = {{Chemical Engineering Science}},
  keywords     = {{Applied Mathematics, Industrial and Manufacturing Engineering, General Chemical Engineering, General Chemistry}},
  publisher    = {{Elsevier BV}},
  title        = {{{Operating window and flexibility of a lab-scale methanation plant}}},
  doi          = {{10.1016/j.ces.2022.117632}},
  volume       = {{254}},
  year         = {{2022}},
}

@article{47560,
  abstract     = {{<jats:p>As a part of the worldwide efforts to substantially reduce CO2 emissions, power-to-fuel technologies offer a promising path to make the transport sector CO2-free, complementing the electrification of vehicles. This study focused on the coupling of Fischer–Tropsch synthesis for the production of synthetic diesel and kerosene with a high-temperature electrolysis unit. For this purpose, a process model was set up consisting of several modules including a high-temperature co-electrolyzer and a steam electrolyzer, both of which were based on solid oxide electrolysis cell technology, Fischer–Tropsch synthesis, a hydrocracker, and a carrier steam distillation. The integration of the fuel synthesis reduced the electrical energy demand of the co-electrolysis process by more than 20%. The results from the process simulations indicated a power-to-fuel efficiency that varied between 46% and 67%, with a decisive share of the energy consumption of the co-electrolysis process within the energy balance. Moreover, the utilization of excess heat can substantially to completely cover the energy demand for CO2 separation. The economic analysis suggests production costs of 1.85 €/lDE for the base case and the potential to cut the costs to 0.94 €/lDE in the best case scenario. These results underline the huge potential of the developed power-to-fuel technology.</jats:p>}},
  author       = {{Peters, Ralf and Wegener, Nils and Samsun, Remzi Can and Schorn, Felix and Riese, Julia and Grünewald, Marcus and Stolten, Detlef}},
  issn         = {{2227-9717}},
  journal      = {{Processes}},
  keywords     = {{Process Chemistry and Technology, Chemical Engineering (miscellaneous), Bioengineering}},
  number       = {{4}},
  publisher    = {{MDPI AG}},
  title        = {{{A Techno-Economic Assessment of Fischer–Tropsch Fuels Based on Syngas from Co-Electrolysis}}},
  doi          = {{10.3390/pr10040699}},
  volume       = {{10}},
  year         = {{2022}},
}

@article{47561,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Additive manufacturing is a promising tool for tailored solutions in chemical engineering. This applies in particular to the design of lab‐scale packed bed columns. We present experimental results to characterize a lab‐scale 3D printed structured metal packing and compare it to a conventional counterpart. The results indicate that necessary adjustments for the manufacturing process of the metal material have an influence on important operating parameters, resulting in higher specific pressure drop, slightly higher liquid holdup and lower mass transfer efficiency.</jats:p>}},
  author       = {{Riese, Julia and Reitze, Arnulf and Grünewald, Marcus}},
  issn         = {{0009-286X}},
  journal      = {{Chemie Ingenieur Technik}},
  keywords     = {{Industrial and Manufacturing Engineering, General Chemical Engineering, General Chemistry}},
  number       = {{7}},
  pages        = {{993--1001}},
  publisher    = {{Wiley}},
  title        = {{{Experimental Characterization of 3D Printed Structured Metal Packing with an Enclosed Column Wall}}},
  doi          = {{10.1002/cite.202200002}},
  volume       = {{94}},
  year         = {{2022}},
}

@article{47556,
  author       = {{Herrmann, Felix and Grünewald, Marcus and Meijer, Tobias and Gardemann, Ulrich and Riese, Julia}},
  issn         = {{0888-5885}},
  journal      = {{Industrial &amp; Engineering Chemistry Research}},
  keywords     = {{Industrial and Manufacturing Engineering, General Chemical Engineering, General Chemistry}},
  number       = {{27}},
  pages        = {{9644--9657}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Performance of a Laboratory-Scale Methanation Plant with Catalyst Dilution under Dynamic Operating Conditions}}},
  doi          = {{10.1021/acs.iecr.2c00871}},
  volume       = {{61}},
  year         = {{2022}},
}

@article{53080,
  abstract     = {{Quantitative speciation data for alternative fuels is highly desired to assess their emission potential and to develop and validate chemical kinetic models. In terms of substitute choices for fossil diesel are oxymethylene ethers (OMEs) strongly discussed. Due to the absence of carbon-carbon bonds, soot emis-sions from combustion of OMEs are low, but significant emissions of unregulated pollutants such as alde-hydes emerge. The combustion behavior of OME fuels with different chain lengths, OME0-4, was investigated in lam-inar premixed low-pressure flames using complementary molecular-beam mass spectrometry (MBMS) techniques. MBMS sampling provides an in-situ access directly into the reaction zone of the flame. Al-most all chemical species involved in the oxidation process can be detected and quantified simultane-ously. Neat OME0-3 flames were analyzed by electron ionization (EI) MBMS with high mass resolution ( R approximate to 3900) providing exact elementary composition. To obtain isomer-specific information, an OME1- doped hydrogen flame and a stochiometric OME4 flame were studied by double-imaging photoelectron photoion coincidence (i2PEPICO) spectroscopy. Both, EI-MBMS detection and i2PEPICO spectroscopy, en-ables a complete overview of all intermediates. The results show a dominance of oxygenated intermediates for all measured conditions. Mole fraction profiles for the most important species are presented (i.e. formaldehyde, methanol, methyl formate and formic acid) and compared to modeling results. Hydrocarbons with more than four carbon atoms were not detected under the investigated conditions. Isomers such as ethanol/dimethyl ether (m/z = 46) and ethenol/acetaldehyde (m/z = 44) could be separated using threshold photoelectron spectra for clear iden-tification and photoionization efficiency curves for quantification. This investigation permits the discus-sion and analysis of systematic trends, including intermediate species, for the combustion of the studied series of oxymethylene ether fuels. (c) 2022 The Combustion Institute. Published by Elsevier Inc. All rights reserved.}},
  author       = {{Gaiser, Nina and Zhang, Hao and Bierkandt, Thomas and Schmitt, Steffen and Zinsmeister, Julia and Kathrotia, Trupti and Hemberger, Patrick and Shaqiri, Shkelqim and Kasper, Tina and Aigner, Manfred and Oßwald, Patrick and Köhler, Markus}},
  issn         = {{0010-2180}},
  journal      = {{Combustion and Flame}},
  keywords     = {{General Physics and Astronomy, Energy Engineering and Power Technology, Fuel Technology, General Chemical Engineering, General Chemistry}},
  publisher    = {{Elsevier BV}},
  title        = {{{Investigation of the combustion chemistry in laminar, low-pressure oxymethylene ether flames (OME0–4)}}},
  doi          = {{10.1016/j.combustflame.2022.112060}},
  volume       = {{243}},
  year         = {{2022}},
}

@article{53081,
  abstract     = {{Recent progress in molecular combustion chemistry allows for detailed investigation of the intermediate species pool even for complex chemical fuel compositions, as occur for technical fuels. This study pro-vides detailed investigation of a comprehensive set of complex alternative gasoline fuels obtained from laminar flow reactors equipped with molecular-beam sampling techniques for observation of the com-bustion intermediate species pool in homogeneous gas phase reactions. The combination of ionization techniques including double-imaging photoelectron photoion coincidence (i2PEPICO) spectroscopy enables deeper mechanistic insights into the underlying reaction network relevant to technical fuels. The se-lected fuels focus on contemporary automotive engine application as drop-in fuels compliant to European EN 228 specification for gasoline. Therefore, potential alternative gasoline blends containing oxygenated hydrocarbons as octane improvers obtainable from bio-technological production routes, e.g., ethanol, iso- butanol, methyl tert -butyl ether (MTBE), and ethyl tert -butyl ether (ETBE), as well as a Fischer-Tropsch surrogate were investigated. The fuel set is completed by two synthetic naphtha fractions obtained from Fischer-Tropsch and methanol-to-gasoline processes alongside with a fossil reference gasoline. In total, speciation data for 11 technical fuels from two atmospheric flow reactor setups are presented. Detailed main and intermediate species profiles are provided for slightly rich ( 4) = 1.2) and lean ( 4) = 0.8) con-ditions for intermediate to high temperatures. Complementary, the isomer distribution on different mass channels, like m/z = 78 u fulvene/benzene, of four gasolines was investigated. Experimental findings are analyzed in terms of the detailed fuel composition and literature findings for molecular combustion chemistry. Influences of oxygenated fuel components as well as composition of the hydrocarbon frac-tions are examined with a particular focus on the soot precursor chemistry. This dataset is available for validation of chemical kinetic mechanisms for realistic gasolines containing oxygenated hydrocarbons.(c) 2021 The Combustion Institute. Published by Elsevier Inc. All rights reserved.}},
  author       = {{Zinsmeister, Julia and Gaiser, Nina and Melder, Jens and Bierkandt, Thomas and Hemberger, Patrick and Kasper, Tina and Aigner, Manfred and Köhler, Markus and Oßwald, Patrick}},
  issn         = {{0010-2180}},
  journal      = {{Combustion and Flame}},
  keywords     = {{General Physics and Astronomy, Energy Engineering and Power Technology, Fuel Technology, General Chemical Engineering, General Chemistry}},
  publisher    = {{Elsevier BV}},
  title        = {{{On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study}}},
  doi          = {{10.1016/j.combustflame.2021.111961}},
  volume       = {{243}},
  year         = {{2022}},
}

@article{40986,
  abstract     = {{Currently, chemistry and physics are strongly dependent on the concept of the oxidation state. While the formal oxidation state is easily evaluated, the real physical oxidation state value is often difficult to determine and significantly varies from the formal values. Determination of the ionization threshold in X-ray absorption spectroscopy (XANES) relies on the absorption edge position and sometimes poses limitations, mainly due to the edge resonances. Moreover, the lower energy states can be probed only within x-soft or XUV photons providing only surface state information of probed materials. Here, we employ high energy resolution off-resonant spectroscopy to determine both 1s and 3p binding energies of Fe-based materials and therefore correlate to their physical oxidation state. The results are compared to the ones obtained with classical X-ray absorption, X-ray emission, and photoelectron spectroscopies. The observed differences in binding energies are discussed in a frame of initial and final state interactions with the atom's electronic configurations. The presented methodology is discussed towards potential use to single-shot experiments and application at X-ray free-electron lasers. Alternatively, core level X-ray emission spectroscopy can be used, but the emission line positions are strongly affected by spin-orbit interaction. However, due to the energy transfer from the photon to the excited core electron, the same information as in XANES is probed in high energy resolution off-resonant spectroscopy (HEROS). Based on the Kramers–Heisenberg theory, we propose a new approach for ionization threshold determination which is free of the limitations encountered in XANES-based determination of the core state energy. Namely, the value of core state energy can be determined analytically using a few HEROS spectra recorded with significantly higher spectral resolution. This approach provides a basis for the universal physical oxidation state determination method.}},
  author       = {{Nowakowski, Michał and Kalinko, Aleksandr and Szlachetko, Jakub and Fanselow, Rafał and Bauer, Matthias}},
  issn         = {{0267-9477}},
  journal      = {{Journal of Analytical Atomic Spectrometry}},
  keywords     = {{Spectroscopy, Analytical Chemistry}},
  number       = {{11}},
  pages        = {{2383--2391}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{High resolution off resonant spectroscopy as a probe of the oxidation state}}},
  doi          = {{10.1039/d2ja00232a}},
  volume       = {{37}},
  year         = {{2022}},
}

@article{40988,
  abstract     = {{Increasing the metal-to-ligand charge transfer (MLCT) excited state lifetime of polypyridine iron(II) complexes can be achieved by lowering the ligand's π* orbital energy and by increasing the ligand field splitting. In the homo- and heteroleptic complexes [Fe(cpmp)2]2+ (12+) and [Fe(cpmp)(ddpd)]2+ (22+) with the tridentate ligands 6,2’’-carboxypyridyl-2,2’-methylamine-pyridyl-pyridine (cpmp) and N,N’-dimethyl-N,N’-di-pyridin-2-ylpyridine-2,6-diamine (ddpd) two or one dipyridyl ketone moieties provide low energy π* acceptor orbitals. A good metal-ligand orbital overlap to increase the ligand field splitting is achieved by optimizing the octahedricity through CO and NMe units between the coordinating pyridines which enable the formation of six-membered chelate rings. The push-pull ligand cpmp provides intra-ligand and ligand-to-ligand charge transfer (ILCT, LL'CT) excited states in addition to MLCT excited states. Ground and excited state properties of 12+ and 22+ were accessed by X-ray diffraction analyses, resonance Raman spectroscopy, (spectro)electrochemistry, EPR spectroscopy, X-ray emission spectroscopy, static and time-resolved IR and UV/Vis/NIR absorption spectroscopy as well as quantum chemical calculations.}},
  author       = {{Weber, Sebastian and Zimmermann, Ronny T. and Bremer, Jens and Abel, Ken L. and Poppitz, David and Prinz, Nils and Ilsemann, Jan and Wendholt, Sven and Yang, Qingxin and Pashminehazar, Reihaneh and Monaco, Federico and Cloetens, Peter and Huang, Xiaohui and Kübel, Christian and Kondratenko, Evgenii and Bauer, Matthias and Bäumer, Marcus and Zobel, Mirijam and Gläser, Roger and Sundmacher, Kai and Sheppard, Thomas L.}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Catalysis}},
  number       = {{8}},
  publisher    = {{Wiley}},
  title        = {{{Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation}}},
  doi          = {{10.1002/cctc.202101878}},
  volume       = {{14}},
  year         = {{2022}},
}

@article{36874,
  author       = {{Su, Jiangling and González Orive, Alejandro and Grundmeier, Guido}},
  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        = {{{Nano-FTIR and chemical force analysis of electrografted aryldiazonium salts on ODT-microcontact printed Au-surfaces}}},
  doi          = {{10.1016/j.apsusc.2022.155355}},
  volume       = {{609}},
  year         = {{2022}},
}

@article{36872,
  author       = {{Bobzin, K. and Kalscheuer, C. and Grundmeier, Guido and de los Arcos, T. and Kollmann, S. and Carlet, M.}},
  issn         = {{0257-8972}},
  journal      = {{Surface and Coatings Technology}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Surfaces and Interfaces, Condensed Matter Physics, General Chemistry}},
  publisher    = {{Elsevier BV}},
  title        = {{{Oxidation stability of chromium aluminum oxynitride hard coatings}}},
  doi          = {{10.1016/j.surfcoat.2022.128927}},
  volume       = {{449}},
  year         = {{2022}},
}

@article{36873,
  author       = {{Neßlinger, Vanessa and Welzel, Stefan and Rieker, Florian and Meinderink, Dennis and Nieken, Ulrich and Grundmeier, Guido}},
  issn         = {{1862-832X}},
  journal      = {{Macromolecular Reaction Engineering}},
  keywords     = {{Polymers and Plastics, General Chemical Engineering, General Chemistry}},
  publisher    = {{Wiley}},
  title        = {{{Thin Organic‐Inorganic Anti‐Fouling Hybrid‐Films for Microreactor Components}}},
  doi          = {{10.1002/mren.202200043}},
  year         = {{2022}},
}

@article{36817,
  author       = {{Hoener, Martin and Kasper, Tina}},
  issn         = {{0010-2180}},
  journal      = {{Combustion and Flame}},
  keywords     = {{General Physics and Astronomy, Energy Engineering and Power Technology, Fuel Technology, General Chemical Engineering, General Chemistry}},
  publisher    = {{Elsevier BV}},
  title        = {{{Nitrous acid in high-pressure oxidation of CH4 doped with nitric oxide: Challenges in the isomer-selective detection and quantification of an elusive intermediate}}},
  doi          = {{10.1016/j.combustflame.2022.112096}},
  volume       = {{243}},
  year         = {{2022}},
}

@article{36810,
  author       = {{Knyazkov, Denis A. and Cherepanov, Andrey V. and Kiselev, Vitaly G. and Gerasimov, Ilya E. and Kasper, Tina and Shmakov, Andrey G.}},
  issn         = {{1540-7489}},
  journal      = {{Proceedings of the Combustion Institute}},
  keywords     = {{Physical and Theoretical Chemistry, Mechanical Engineering, General Chemical Engineering}},
  publisher    = {{Elsevier BV}},
  title        = {{{Experimental and kinetic modeling study of the positive ions in premixed ethylene flames over a range of equivalence ratios}}},
  doi          = {{10.1016/j.proci.2022.07.157}},
  year         = {{2022}},
}

@article{36811,
  author       = {{Kaczmarek, Dennis and Rudolph, Charlotte and Atakan, Burak and Kasper, Tina}},
  issn         = {{1540-7489}},
  journal      = {{Proceedings of the Combustion Institute}},
  keywords     = {{Physical and Theoretical Chemistry, Mechanical Engineering, General Chemical Engineering}},
  publisher    = {{Elsevier BV}},
  title        = {{{Kinetic investigation of the ozone-assisted partial oxidation of fuel-rich natural gas mixtures at elevated pressure}}},
  doi          = {{10.1016/j.proci.2022.07.195}},
  year         = {{2022}},
}

@article{36813,
  author       = {{Bierkandt, Thomas and Hemberger, Patrick and Oßwald, Patrick and Gaiser, Nina and Hoener, Martin and Krüger, Dominik and Kasper, Tina and Köhler, Markus}},
  issn         = {{1540-7489}},
  journal      = {{Proceedings of the Combustion Institute}},
  keywords     = {{Physical and Theoretical Chemistry, Mechanical Engineering, General Chemical Engineering}},
  publisher    = {{Elsevier BV}},
  title        = {{{A combustion chemistry study of tetramethylethylene in a laminar premixed low-pressure hydrogen flame}}},
  doi          = {{10.1016/j.proci.2022.07.205}},
  year         = {{2022}},
}

@article{34459,
  author       = {{Schmelzle, Lars and Striewe, Marius and Mergheim, Julia and Meschut, Gerson and Possart, Gunnar and Teutenberg, Dominik and Hein, David and Steinmann, Paul}},
  issn         = {{0169-4243}},
  journal      = {{Journal of Adhesion Science and Technology}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Surfaces and Interfaces, Mechanics of Materials, General Chemistry}},
  title        = {{{Testing, modelling, and parameter identification for adhesively bonded joints under the influence of temperature}}},
  doi          = {{10.1080/01694243.2022.2125714}},
  year         = {{2022}},
}

@article{35976,
  author       = {{de los Arcos de Pedro, Maria Teresa and Weinberger, Christian and Zysk, Frederik and Raj Damerla, Varun and Kollmann, Sabrina and Vieth, Pascal and Tiemann, Michael and Kühne, Thomas D. and Grundmeier, Guido}},
  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        = {{{Challenges in the interpretation of gas core levels for the determination of gas-solid interactions within dielectric porous films by ambient pressure XPS}}},
  doi          = {{10.1016/j.apsusc.2022.154525}},
  volume       = {{604}},
  year         = {{2022}},
}

@article{35703,
  author       = {{Hou, Peng and Peschtrich, Sebastian and Huber, Nils and Feuerstein, Wolfram and Bihlmeier, Angela and Krummenacher, Ivo and Schoch, Roland and Klopper, Wim and Breher, Frank and Paradies, Jan}},
  issn         = {{0947-6539}},
  journal      = {{Chemistry – A European Journal}},
  keywords     = {{General Chemistry, Catalysis, Organic Chemistry}},
  number       = {{23}},
  publisher    = {{Wiley}},
  title        = {{{Cover Feature: Impact of Heterocycle Annulation on NIR Absorbance in Quinoid Thioacene Derivatives (Chem. Eur. J. 23/2022)}}},
  doi          = {{10.1002/chem.202200982}},
  volume       = {{28}},
  year         = {{2022}},
}

@article{35688,
  author       = {{Hou, Peng and Peschtrich, Sebastian and Huber, Nils and Feuerstein, Wolfram and Bihlmeier, Angela and Krummenacher, Ivo and Schoch, Roland and Klopper, Wim and Breher, Frank and Paradies, Jan}},
  issn         = {{0947-6539}},
  journal      = {{Chemistry – A European Journal}},
  keywords     = {{General Chemistry, Catalysis, Organic Chemistry}},
  number       = {{23}},
  publisher    = {{Wiley}},
  title        = {{{Impact of Heterocycle Annulation on NIR Absorbance in Quinoid Thioacene Derivatives}}},
  doi          = {{10.1002/chem.202200478}},
  volume       = {{28}},
  year         = {{2022}},
}