Results 111 to 120 of about 499,370 (262)

Nickelferrite on Pnictogen Functionalized Carbon Nanohorns. Bifunctional ORR and OER Catalysts in Rechargeable Zinc‐Air Batteries

Advanced Science, EarlyView.
A systematic study on the performance of N,P‐doped NiFe2O4@CNH bi‐functional hybrid electrocatalysts for rechargeable zinc‐air batteries is presented. The importance of P, N‐doping and the intimate tethering of nickel‐ferrite nanocubes on the carbon nano‐horn (CNH) surface which are well dispersed on the surface of N,P doped CNHs.
Sudheer Kumar Yadav, Vanessa Trouillet, Jonas Lins, Torsten Gutmann, Jörg J. Schneider   +4 more
wiley   +1 more source

Computational and Data‐Driven Strategies for Lignocellulosic Biomass Valorization: From Multiscale Modeling to Digitalized Biorefinery Design

Advanced Science, EarlyView.
This Review critically connects structural recalcitrance, molecular modeling, solvent and catalyst design, pyrolysis, machine learning, reactor simulation, and FAIR digital infrastructure. Emphasis is placed on experimentally validated information transfer across scales, uncertainty and applicability domains, and the recycle, durability, techno ...
Abdullahi Bello Umar, Jiaxian Zheng, Xiangfeng Lin, Hongwu Liao, Haoqian Xu, Yufei Huang, Zaharaddeen Nasiru Garba, Adamu Uzairu, Weiwei Zhao, Zhanhui Yuan   +9 more
wiley   +1 more source

Mechanistic Insights Into Instability From Single Void Dynamics at the Lithium Metal‐Solid Electrolyte Interface

Advanced Science, EarlyView.
Void morphology at the lithium metal‐solid electrolyte contact governs electrochemical contact stability in all‐solid‐state batteries. This work resolves the competing roles of electrochemical reaction, bulk vacancy diffusion, and distinct surface diffusion pathways in dictating the size and morphology evolution of a single void and its transition to a
Sourim Banerjee, Bairav S. Vishnugopi, Guang Lin, Partha P. Mukherjee   +3 more
wiley   +1 more source

Structure and Function of a Multi‐Megadalton Virus‐Like Proteolytic Dodecahedron

Angewandte Chemie, EarlyView.
Zuzalysin, a virulence metallopeptidase of the periodontal pathogen Porphyromonas gingivalis, is secreted as a latent, flexible ≈95‐kDa monomer. Calcium triggers cysteine‐switch activation and hierarchical assembly into pentamers, bipentamers, tripentamers, and a ≈5.6‐MDa, ≈355‐Å dodecahedron. Structures at 1.8–3.6 Å reveal a virus‐sized catalytic cage
Mariusz Madej, Arturo Rodríguez‐Banqueri, Danuta Mizgalska, Borys Szmigielski, Zuzanna Nowakowska, Małgorzata Benedyk‐Machaczka, Monika Bzowska, Katarzyna Mikruta, Juan Sebastián Ramírez‐Larrota, Chinanu Agunanne, Olivier Julien, Anthony J. O'Donoghue, Carsten Scavenius, Mario López‐Martín, Enrique Marcos, Łukasz Koziej, Sebastian Glatt, Pablo Guerra, Ulrich Eckhard, Jan Potempa, F. Xavier Gomis‐Rüth   +20 more
wiley   +2 more sources

DFT analysis of the [3 + 2] heterocyclization reaction of ((1,2,4-triazole(1,3,4-oxadiazole)-3(2)-yl)methyl)thiopyrimidines

Aktualʹnì Pitannâ Farmacevtičnoï ì Medičnoï Nauki ta Praktiki
The article examines the mechanisms of the heterocyclization reaction using density functional theory (DFT) methods. A quantum-chemical analysis of the starting compounds, transition states, and products was conducted, with energy barriers and key ...
Yu. V. Karpenko
doaj   +1 more source

Cube Jam (Engagement Innovation Project) [PDF]

, 2013
Cube Jam is a project developed in response to the new and rising marketing in large-scale interactive public screens - the Cube being a premier site.
Thomas, Lubi, Turner, Jane
core  

Controlling Self‐Doping in Conjugated Polyelectrolyte Copolymers to Vary the Threshold Voltage in OECTs

Advanced Electronic Materials, EarlyView.
Two series of self‐doped conjugated polyelectrolytes are synthesized from a non‐self‐dopable building block 3MEEET and a self‐dopable building‐block 3HOT−[TMA+] or 3HOT−[SO3H] enabling precise control over the degree of self‐doping, which in turn directly governs the threshold voltage (VT) in OECTs over a wide range of 700 mV.
Julian Hungenberg, Andreas W. Erhardt, Adrian Hochgesang, John Mohanraj, Lys Sprenger, Sahar Salehi, Christopher R. McNeill, Mukundan Thelakkat   +7 more
wiley   +1 more source

Extending El Sayed's Rule by 1(n,π*)–3(n,π*) Rotation via Intramolecular Secondary Interaction Enables Room‐Temperature Circularly Polarized Phosphorescence in Solution

Angewandte Chemie, EarlyView.
Weak but skilled: Our results highlight the crucial role of intramolecular secondary interactions to induce an efficient ISC between formally identical 1(n,π*) and 3(n,π*) states in chiral thionated phthalimide derivatives. This unprecedented type of inter‐system crossing (ISC) extends the usual thinking of the El‐Sayed principle and enables the ...
Oscar Charpentier, Marie Guesdon, Catherine Demangeat, Maher Hojorat, Joseph Young, Emrys W. Evans, Vincent Dorcet, Nicolas Galland, Denis Jacquemin, Ludovic Favereau   +9 more
wiley   +2 more sources

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

Advanced Energy Materials, EarlyView.
This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu, Huaping Zhao, Lizhuang Chen, Weidong Shi, Guosheng Shao, Yong Lei   +5 more
wiley   +1 more source

Light‐Induced Phase Segregation in Mixed‐Halide Perovskites: Reconciling Mechanistic and Thermodynamic Models

Advanced Energy Materials, EarlyView.
Light‐induced halide segregation limits the stability of mixed‐halide perovskites. This perspective shows how different mechanistic models can be viewed within a common free‐energy framework. It highlights the need to separate kinetic and thermodynamic aspects, the need for bulk‐sensitive measurements, and the need for controlled conditions to identify
Markus Griesbach, Fatemeh Haddadi Barzoki, Anna Köhler, Helen Grüninger   +3 more
wiley   +1 more source