Institut Català d'Investigació Química (ICIQ): Recent submissions
Now showing items 161-180 of 1286
High-density microneedle array-based wearable electrochemical biosensor for detection of insulin in interstitial fluid
The development of point-of-care wearable devices capable of measuring insulin concentration has the potential to significantly improve diabetes management and life quality of diabetic patients. However, the lack of a ...
Reducing Interfacial Recombination in Inverted Perovskite Solar Cells With Selenophene-Substituted PCBM: Comparison With Thiophene and Furan Substitution
Reducing the interfacial recombination and improving the charge transfer capability of charge transport layers are effective strategies to enhance the efficiency and stability of perovskite solar cells (PSCs). This study ...
Structural Evolution of Stapes Controls the Electrochemical CO2 Reduction on Bimetallic Cu-doped Gold Nanoclusters
Ligand protected gold nanoclusters have been proposed for electrochemical CO2 reduction (eCO2R) as an alternative to polycrystalline catalysts, showing higher selectivity control due to the tailored composition and precise ...
Post-synthetic modification of covalent organic frameworks with active manganese centers for electrocatalytic CO2 reduction in water
The development of effective catalysts for the CO2 reduction reaction (CO2RR) is essential for transforming atmospheric CO2 into valuable chemical scaffolds. While numerous catalysts have been developed for the CO2RR, few ...
Ni-Catalyzed Stereodivergent Synthesis of N-Glycosides
Herein, we describe a stereoselective Ni-catalyzed N-glycosylation of glycals. The reaction is enabled by addition of an in situ generated nickel hydride across an olefin prior to C−N bond-formation. Stereodivergence can ...
Molecular catalyst coordinatively bonded to organic semiconductors for selective light-driven CO2 reduction in water
The selective photoreduction of CO2 in aqueous media based on earth-abundant elements only, is today a challenging topic. Here we present the anchoring of discrete molecular catalysts on organic polymeric semiconductors ...
Alkanes C1–C6 C–H Bond Activation via a Barrierless Potential Energy Path: Trifluoromethyl Carbenes Enhance Primary C–H Bond Functionalization
In this mixed computational and experimental study, we report a catalytic system for alkane C1–C6 functionalization in which the responsible step for C–H bond activation shows no barrier in the potential energy path. DFT ...
Toughening Healable Supramolecular Double Polymer Networks Based on Hydrogen Bonding and Metal Coordination
Double polymer networks (DNs) consist of two interpenetrating polymer networks and can offer properties that are not merely a sum of the parts. Here, we report an elastic DN made from two supramolecular polymers (SMPs) ...
Self-assembled infinite silver cluster with atomic precision as a scalable catalyst for CO2-electroreduction under industry-relevant reaction rates
The multi-gram synthesis of a phenylacetylide silver cluster catalyst and its application to the electroreduction of CO2 to carbon monoxide is described. The procedure involves one synthetic step from commercially available ...
Diels-Alder Reaction Mechanisms of La@C60 and Gd@C60 Studied Using Density Functional Theory
Encapsulation of transition metals represents a crucial method for modifying the electronic structure and regulating the reactivity of fullerene, thereby expanding its applications. Herein, we present calculations with ...
Long-Lived Charge Carrier Photogeneration in a Cooperative Supramolecular Double-Cable Polymer
A newly designed C3-symmetric disc-shaped chromophore, BTT(NDI)3, features electron accepting naphthalene diimides linked to an electron donor BTT core. BTT(NDI)3 self-assembles in apolar solvents into highly ordered, ...
Carbon–Heteroatom Bond Formation Mediated by Hypervalent Iodine
This chapter describes the recent progress in hypervalent iodine-mediated oxidative Csp, Csp2, and Csp3 transformations for carbon–heteroatom bond formation. The individual reactions are discussed with a focus on mechanistic ...
Vicinal Difunctionalization of Alkenes with Iodine(III) Reagents and Catalysts
Hypervalent iodine(III) reagents have been known for over a century, and their reaction profile is still actively investigated. Recent years have seen impressive improvements in the area of alkene difunctionalization ...
Insights into charge dynamics and recombination processes in ternary organic solar cells through photophysical characterization techniques
The incorporation of a third component in organic solar cells (OSCs), the so-called ternary OSCs, has given rise to an increase in the power conversion efficiencies of the devices. This improvement has been assigned to the ...
Electrochemical Formation of C2+ Products Steered by Bridge-Bonded *CO Confined by *OH Domains
During the electrochemical CO2 reduction reaction (eCO2RR) on copper catalysts, linear-bonded CO (*COL) is commonly regarded as the key intermediate for the CO-CO coupling step, which leads to the formation of multicarbon ...
DFT Rationalization of the Diverse Outcomes of the Iodine(III)-Mediated Oxidative Amination of Alkenes
A computational study of the mechanism for the iodine(III)-mediated oxidative amination of alkenes explains the experimentally observed substrate dependence on product distribution. Calculations with the M06 functional ...
Stability of [10–12]cycloparaphenylene complexes with pristine fullerenes C76,78,84 and endohedral metallofullerenes M3N@C78,80
[n]Cycloparaphenylenes ([n]CPPs) are strained macrocycles, comprising only sp2-hybridized carbon atoms. In recent years, [n]CPPs have become of great research interest in the field of supramolecular chemistry since their ...
Descriptors for Electrochemical CO2 Reduction in Imidazolium-Based Electrolytes
Electrochemical CO2 reduction (CO2R) allows us to close the carbon cycle and store intermittent renewable energy into chemical products. Among these, syngas, a mixture of hydrogen and carbon monoxide, is particularly ...
Regiodivergent Radical-Relay Alkene Dicarbofunctionalization
Herein, we report a regiodivergent 1,n-dicarbofunctionalization of unactivated olefins enabled by a Ni-catalyzed radical relay that forges both C(sp3)-C(sp3) and C(sp2)–C(sp3) linkages, even at long-range. Initial studies ...
Supramolecular Anchoring of Fe(III) Molecular Redox Catalysts into Graphitic Surfaces Via CH-π and π–π Interactions for CO2 Electroreduction
Photoelectrochemical devices require solid anodes and cathodes for the easy assembling of the whole cell and thus redox catalysts need to be deposited on the electrodes. Typical catalyst deposition involves drop casting, ...
