Ingo Krossing
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View article: Low‐Concentration Electrolytes Based on Weakly Coordinating Anions for Applications in Lithium‐Ion‐Batteries and Lithium‐Metal‐Batteries
Low‐Concentration Electrolytes Based on Weakly Coordinating Anions for Applications in Lithium‐Ion‐Batteries and Lithium‐Metal‐Batteries Open
0.2 M Low Concentration Electrolytes (LCEs) for lithium‐based batteries formed from lithium salts with very weakly coordinating anions, i.e., the aluminate Li[Al{OC(CF 3 ) 3 } 4 ] and the gallate Li[Ga(C 2 F 5 ) 4 ] in ortho ‐difluorobenze…
View article: Low‐Concentration Electrolytes Based on Weakly Coordinating Anions for Applications in Lithium‐Ion‐Batteries and Lithium‐Metal‐Batteries
Low‐Concentration Electrolytes Based on Weakly Coordinating Anions for Applications in Lithium‐Ion‐Batteries and Lithium‐Metal‐Batteries Open
0.2 M Low Concentration Electrolytes (LCEs) for lithium‐based batteries formed from lithium salts with very weakly coordinating anions, i.e., the aluminate Li[Al{OC(CF 3 ) 3 } 4 ] and the gallate Li[Ga(C 2 F 5 ) 4 ] in ortho ‐difluorobenze…
View article: About a Trillion Times More Acidic than Expected? On the Difference Between the Hammett <i>H</i> <sub>0</sub> and the Unified pH Acidity of Sulfuric Acid
About a Trillion Times More Acidic than Expected? On the Difference Between the Hammett <i>H</i> <sub>0</sub> and the Unified pH Acidity of Sulfuric Acid Open
We report on the considerable difference between the distinct pH and Hammett's H 0 acidity function in the entire H 2 O‐H 2 SO 4 mixing range. The Hammett acidity for 100 wt% H 2 SO 4 is accepted with H 0 = −11.9. We measured the pH acidit…
View article: An Active Fluorinated Cu/ZnO/MgO Carbon Dioxide‐to‐Methanol Hydrogenation Catalyst with Long‐Term Stability
An Active Fluorinated Cu/ZnO/MgO Carbon Dioxide‐to‐Methanol Hydrogenation Catalyst with Long‐Term Stability Open
The oxidative fluorination of a ternary CZMg (Cu/ZnO/MgO) methanol catalyst resulted in a 5%–10% catalyst improvement within the first 3 to 4 days on a CO 2 /3 H 2 stream reaching a stable and improved performance over 14 days on stream wi…
View article: Etwa eine Billion Mal saurer als erwartet? Über den Unterschied zwischen der Hammett‐ <i>H</i> <sub>0</sub> und der vereinheitlichten pH‐Azidität der Schwefelsäure
Etwa eine Billion Mal saurer als erwartet? Über den Unterschied zwischen der Hammett‐ <i>H</i> <sub>0</sub> und der vereinheitlichten pH‐Azidität der Schwefelsäure Open
Kurzzusammenfassung Schwefelsäure ist eine der wichtigsten und am häufigsten produzierten Chemikalien weltweit – daher sollte man meinen, dass ihre Azidität bekannt und etabliert wäre. Wir berichten über den teils beachtlichen Unterschied …
View article: Water‐Free PEDOT:PSS Formulation for Pb–Sn Mixed Perovskite Single‐Junction and All‐Perovskite Tandem Solar Cells
Water‐Free PEDOT:PSS Formulation for Pb–Sn Mixed Perovskite Single‐Junction and All‐Perovskite Tandem Solar Cells Open
Single‐junction Pb–Sn perovskite solar cells with a 1.24 eV bandgap have recently achieved power conversion efficiencies exceeding 23%, driven by advances in absorber passivation and interface engineering. Poly(3,4‐ethylenedioxythiophene):…
View article: A Dinitrogen Complex without Donor Ligands: Isolation and Characterization of a [Mn(CO)<sub>5</sub>(η<sup>1</sup>-N<sub>2</sub>)]<sup>+</sup> Salt
A Dinitrogen Complex without Donor Ligands: Isolation and Characterization of a [Mn(CO)<sub>5</sub>(η<sup>1</sup>-N<sub>2</sub>)]<sup>+</sup> Salt Open
Dinitrogen complexes are intermediates in nitrogen fixation. Until now, all isolated molecular dinitrogen complexes have relied on ancillary ligands that are net electron donors, yielding N2 ligands carrying a clear negative partial charge…
View article: Joint Partial Least Squares Modeling of Experimental and Computational Data for Electrolyte Prescreening in Lithium–Sulfur Batteries
Joint Partial Least Squares Modeling of Experimental and Computational Data for Electrolyte Prescreening in Lithium–Sulfur Batteries Open
Lithium–sulfur batteries have attracted great research interest due to the high theoretical capacity of sulfur of 1672 mAh g −1 . However, they have various problems due to the shuttle current caused by molecular sulfur dissolving in the e…
View article: Electronic Effects of Al Doping on the Mechanism of Methanol Formation on an Al Doped Cu/ZnO Interface Model
Electronic Effects of Al Doping on the Mechanism of Methanol Formation on an Al Doped Cu/ZnO Interface Model Open
The mechanism of CO 2 hydrogenation to methanol is modelled using plane‐wave DFT applied to a representative Cu 8 ‐ZnO(CZ) model, reported previously, with aluminium substituting a bulk Zn (= Cu/ZnO/Al 2 O 3 (CZA)). On CZA, CO 2 adsorption…
View article: Chemical Prelithiation of Silicon Powder and its Role as Anode Material for All‐Solid‐State Batteries
Chemical Prelithiation of Silicon Powder and its Role as Anode Material for All‐Solid‐State Batteries Open
Silicon (Si) is a high‐capacity material, which faces substantial volume changes during de‐/lithiation, leading to severe degradation of the battery. Chemical prelithiation is a promising strategy to enhance the performance of Si anodes in…
View article: Synthesis of the First Transition Metal PI<sub>3</sub> Complex [CpFe(CO)<sub>2</sub>–PI<sub>3</sub>]<sup>+</sup> [Al(OR<sup>F</sup>)<sub>4</sub>]<sup>−</sup> by Iodination of [CpFe(CO)<sub>2</sub>(<i>η</i><sup>1</sup>‐P<sub>4</sub>)][Al(OR<sup>F</sup>)<sub>4</sub>]
Synthesis of the First Transition Metal PI<sub>3</sub> Complex [CpFe(CO)<sub>2</sub>–PI<sub>3</sub>]<sup>+</sup> [Al(OR<sup>F</sup>)<sub>4</sub>]<sup>−</sup> by Iodination of [CpFe(CO)<sub>2</sub>(<i>η</i><sup>1</sup>‐P<sub>4</sub>)][Al(OR<sup>F</sup>)<sub>4</sub>] Open
Reactions targeting at a stoichiometric conversion of P 4 ‐complex [Fp−P 4 ][[Al(OR F ) 4 ] 1 (Fp = CpFe(CO) 2 ; R F = C(CF 3 ) 3 ) with iodine to give the PI 3 ‐complex [Fp−PI 3 ][Al(OR F ) 4 ] 2 , astonishingly led to variety of intermed…
View article: Electrolyte‐Dependent Electrode Potentials in Lithium–Sulfur Batteries
Electrolyte‐Dependent Electrode Potentials in Lithium–Sulfur Batteries Open
Lithium–sulfur batteries are promising for future energy storage due to their high specific capacity. However, challenges like low cycling stability and the shuttle effect hinder their practical use. A better understanding of the underlyin…
View article: Surface Modification of NaCrO<sub>2</sub> Positive Electrode Material with an Aluminium-Based Precursor
Surface Modification of NaCrO<sub>2</sub> Positive Electrode Material with an Aluminium-Based Precursor Open
Sodium-ion batteries are promising successors to lithium-ion batteries, with NaCrO 2 being particularly interesting given its decent capacity and high thermal stability. However, improvements in cyclic stability are still necessary. Metal …
View article: Promoting Alkane Binding: Crystallization of a Cationic Manganese(I)‐Pentane <i>σ</i>‐Complex from Solution
Promoting Alkane Binding: Crystallization of a Cationic Manganese(I)‐Pentane <i>σ</i>‐Complex from Solution Open
Transition metal–alkane σ ‐complexes are key intermediates in C–H activation and, until now, analysis of these species has been restricted to either the solution OR the solid state. Here we present a synthetic methodology that converts Mn …
View article: Synthesis and Electrochemistry of Copper(I) Complexes with Weakly Basic, Fluorinated, and Multicyclic Arenes
Synthesis and Electrochemistry of Copper(I) Complexes with Weakly Basic, Fluorinated, and Multicyclic Arenes Open
The dinitrogen complex [(N 2 )Cu{Al(OR F ) 4 }] (R F = C(CF 3 ) 3 ) acts as the precursor for the synthesis of homoleptic, weakly bound Cu(I)‐arene complexes with benzene, fluorinated, and multicyclic arenes. Upon dissolution of [(N 2 )Cu{…
View article: Isolation and Characterization of [MnFe(CO)<sub>10</sub>]<sup>+</sup>: The Missing Link in the 3 <i>d</i> Dimetal Decacarbonyl Series
Isolation and Characterization of [MnFe(CO)<sub>10</sub>]<sup>+</sup>: The Missing Link in the 3 <i>d</i> Dimetal Decacarbonyl Series Open
The heterodinuclear dimetal decacarbonyl cation [MnFe(CO) 10 ] + has been synthesized by combining the metalloradical [Fe(CO) 5 ] +⋅ with half an equivalent of Mn 2 (CO) 10 . The complex was subsequently isolated and characterized using si…
View article: Mechanism of CO2 Conversion to Methanol on a Highly Representative Model Cu/ZnO Interface
Mechanism of CO2 Conversion to Methanol on a Highly Representative Model Cu/ZnO Interface Open
The mechanism of CO2 hydrogenation to methanol is modelled using plane-wave DFT applied to a representative model Cu8-ZnO catalyst system (CZ), obtained via unbiased Monte Carlo exploration of Cu cluster growth over a reconstructed polar Z…
View article: Nucleophilic Functionalization of Activated P<sub>4</sub> in [CpFe(CO)<sub>2</sub>‐(<i>η</i><sup>1</sup>‐P<sub>4</sub>)][Al(OR<sup>F</sup>)<sub>4</sub>] with Alcohols R‐OH
Nucleophilic Functionalization of Activated P<sub>4</sub> in [CpFe(CO)<sub>2</sub>‐(<i>η</i><sup>1</sup>‐P<sub>4</sub>)][Al(OR<sup>F</sup>)<sub>4</sub>] with Alcohols R‐OH Open
The bonding situation in [Fp−P 4 ][Al(OR F ) 4 ] ( 1 ) (Fp = (CO) 2 CpFe, R F = C(CF 3 ) 3 ) gives rise to an Umpolung of the P 4 fragment, which should make it accessible for nucleophiles. To investigate this projected reactivity, the com…
View article: Chemical Prelithiation of Silicon Powder and its Role as Anode Material for All-Solid-State Batteries
Chemical Prelithiation of Silicon Powder and its Role as Anode Material for All-Solid-State Batteries Open
Silicon (Si) is a high-capacity material, which faces substantial volume changes during de-/lithiation, leading to severe degradation of the battery. Chemical prelithiation is a promising strategy to enhance the performance of Si anodes in…
View article: Insight into the prospects and limitations of mechanochemically-synthesised lithium tetrahalogallates, LiGaX <sub>4</sub> (X = Cl, Br, I), as Li-ion conductors
Insight into the prospects and limitations of mechanochemically-synthesised lithium tetrahalogallates, LiGaX <sub>4</sub> (X = Cl, Br, I), as Li-ion conductors Open
Advanced characterisation of mechanochemically synthesised LiGaX 4 halides uncovers their structures, transport properties and key differences between short- and long-range conduction.
View article: Toward Realistic Full Cells with Protected Lithium‐Metal‐Anodes: the Effect of an Adaptive Self‐healing Artificial SEI
Toward Realistic Full Cells with Protected Lithium‐Metal‐Anodes: the Effect of an Adaptive Self‐healing Artificial SEI Open
The application of an artificial LiBFEP‐SEI on thin 48 µm Lithium‐Metal‐Anodes (LiBFEP = Li[O 2 P(OCH 2 CF 3 ) 2 ]; SEI = solid electrolyte interphase) induces improved plating/stripping of lithium at the interphase with an almost doubling…
View article: Isolation and characterization of the dimetal decacarbonyl dication [Ru <sub>2</sub> (CO) <sub>10</sub> ] <sup>2+</sup> and the metal-only Lewis-pair [Ag{Ru(CO) <sub>5</sub> } <sub>2</sub> ] <sup>+</sup>
Isolation and characterization of the dimetal decacarbonyl dication [Ru <sub>2</sub> (CO) <sub>10</sub> ] <sup>2+</sup> and the metal-only Lewis-pair [Ag{Ru(CO) <sub>5</sub> } <sub>2</sub> ] <sup>+</sup> Open
Upon irradiation and carbon monoxide pressure, ruthenium carbonyl reacts with silver( i ) and deelectronating reagents to form [Ag{Ru(CO) 5 } 2 ] + and [Ru 2 (CO) 10 ] 2+ , respectively.
View article: Video Documented Upscaled Synthesis of Salts of the Parent Carbaborate Ion [CB<sub>11</sub>H<sub>12</sub>]<sup>−</sup>, its Undecafluorinated Form [CHB<sub>11</sub>F<sub>11</sub>]<sup>−</sup> and Useful Starting Materials for its Introduction
Video Documented Upscaled Synthesis of Salts of the Parent Carbaborate Ion [CB<sub>11</sub>H<sub>12</sub>]<sup>−</sup>, its Undecafluorinated Form [CHB<sub>11</sub>F<sub>11</sub>]<sup>−</sup> and Useful Starting Materials for its Introduction Open
In this work, we present our improved protocols for the single batch syntheses of approximately 32 g of [NHMe 3 ][CB 11 H 12 ] and 10 g of Na[CHB 11 F 11 ] as well as salt metathesis reactions, granting access to useful starting materials …
View article: Towards Sustainable Sulfide‐Based All‐Solid‐State‐Batteries: An Experimental Investigation of the Challenges and Opportunities Using Solid Electrolyte Free Silicon Anodes
Towards Sustainable Sulfide‐Based All‐Solid‐State‐Batteries: An Experimental Investigation of the Challenges and Opportunities Using Solid Electrolyte Free Silicon Anodes Open
Silicon is one of the most promising anode active materials for future high–energy lithium‐ion‐batteries (LIB). Due to limitations related to volume changes during de–/lithiation, implementation of this material in commonly used liquid ele…
View article: Reaction Mechanisms of High‐Rate Copper Electrochemical Machining in Nitrate Electrolytes
Reaction Mechanisms of High‐Rate Copper Electrochemical Machining in Nitrate Electrolytes Open
The high‐rate electrochemical dissolution of copper in nitrate electrolytes is investigated primarily via polarization curves, while varying parameters such as the electrolyte flow velocity, the electrolyte resistance, the anode geometry, …
View article: Reaction Mechanisms of High‐Rate Copper Electrochemical Machining in Nitrate Electrolytes
Reaction Mechanisms of High‐Rate Copper Electrochemical Machining in Nitrate Electrolytes Open
The high‐rate electrochemical dissolution of copper in nitrate electrolytes is investigated primarily via polarization curves, while varying parameters such as the electrolyte flow velocity, the electrolyte resistance, the anode geometry, …