Explanipedia

Engineering p–d Coupling at Fe–Bi and Zn–Bi Sites for Efficient Li–S Conversion Open

Jing Yu, Zhifu Liang, Xuhong Zhou, Chaoqi Zhang, Ivan Pinto‐Huguet , et al. · 2025

Electrocatalytic sulfur hosts are crucial for high-performance, lightweight lithium-sulfur (Li-S) batteries, demanding atomically dispersed metals with precisely tuned electronic structures. Here, we present 3d-6p dual-atom catalysts (DACs…

Surveying the Homogeneity of a Molecular Electrocatalyst Embedded in a Metal‐Organic Framework Using Operando Characterization Open

Marlene E. Hoefnagel, Jan Sebastian Dominic Rodriguez, Sergi Campos‐Jara, Oleg Usoltsev, Dennis G. H. Hetterscheid , et al. · 2025

Homogeneous catalysis generally yields low catalytic current densities due to the small number of catalytic centers at the electrode surface. Incorporating molecular catalysts in metal‐organic frameworks (MOFs) has been proposed as a viabl…

Origin of the strong metal-support interaction in Pd/TiO2 Open

Elizaveta Kozyr, Paul Paciok, K. Janssens, Valeria Lagostina, Riccardo Pellegrini , et al. · 2025

Promoting Electrochemical Reactions with Dual‐Atom Catalysts for High‐Rate Lithium–Sulfur Batteries Open

Jing Yu, Oleg Usoltsev, Irina Martynova, Chen Huang, Zhifu Liang , et al. · 2025

Sulfur cathodes offer a promising solution for high‐energy‐density, cost‐effective, and sustainable energy storage. However, their practical application is limited by sluggish and complex multistep sulfur redox reactions (SRRs), involving …

Molybdenum single-atom-bridged ReS2–graphene heterostructures for boosting supercapacitor performance Open

Mahima Khandelwal, Ievgen Obraztsov, Aby Cheruvathoor Poulose, Shashank Sundriyal, Gábor Érsek , et al. · 2025

NiFe and NiCo core-shell nanoparticles supported on graphene as efficient catalysts for oxygen evolution reaction Open

Miriam López García, María González-Ingelmo, Oleg Usoltsev, F. Palacio, Janis Timoshenko , et al. · 2025

Unveiling the local elemental arrangements across the interfaces inside CdSe/Cd1-xZnxS core-shell and CdSe/CdS/ Cd1-xZnxS core-crown-shell quantum wells Open

T. A. Lastovina, Oleg Usoltsev, Furkan Işık, Andriy Budnyk, Messaoud Harfouche , et al. · 2024

We report on a systematic study of the Cd, Zn, Se, and S elemental distributions across the interfaces in CdSe/Cd1-xZnxS core-shell and CdSe/CdS/Cd1-xZnxS core-crown-shell quantum wells with the CdSe core thickness ranging from 3.5 to 5.5 …

Anionic Doping in Layered Transition Metal Chalcogenides for Robust Lithium‐Sulfur Batteries Open

Chen Huang, Jing Yu, Chaoyue Zhang, Zhibiao Cui, Ren He , et al. · 2024

Lithium‐sulfur batteries (LSBs) are among the most promising next‐generation energy storage technologies. However, a slow Li−S reaction kinetics at the LSB cathode limit their energy and power densities. To address these challenges, this s…

Shape‐Selective Zeolites for Tandem CO2 Hydrogenation‐Carbonylation Reactions Open

Hendrik Van Dessel, Sam Van Minnebruggen, Jasper Dedapper, Paul Paciok, Oleg Usoltsev , et al. · 2024

The valorization of carbon dioxide as a C1 building block in C−C bond forming reactions is a critical link on the road to carbon‐circular chemistry. Activation of this inert molecule through reduction with H 2 to carbon monoxide in the rev…

Shape‐Selective Zeolites for Tandem CO2 Hydrogenation‐Carbonylation Reactions Open

Hendrik Van Dessel, Sam Van Minnebruggen, Jasper Dedapper, Paul Paciok, Oleg Usoltsev , et al. · 2024

The valorization of carbon dioxide as a C1 building block in C−C bond forming reactions is a critical link on the road to carbon‐circular chemistry. Activation of this inert molecule through reduction with H 2 to carbon monoxide in the rev…

Operando multi-edge XAS to unlock the effect of Co in Li- and Mn-rich NMC Li-ion cathodes Open

Laura Simonelli, Oleg Usoltsev, Shehab E. Ali, Andrea Sorrentino, Matthias Kuenzel , et al. · 2024

Thanks to their high voltage and delivered capacity, Li-rich transition metal (TM) oxide positive electrode (cathode) materials are among the most promising for next-generation lithium-ion-batteries, where Co-free Li-rich cathodes join red…

Promoting Polysulfide Redox Reactions through Electronic Spin Manipulation Open

Jing Yu, Chen Huang, Oleg Usoltsev, Ashley P. Black, Kapil Gupta , et al. · 2024

Catalytic additives able to accelerate the lithium-sulfur redox reaction are a key component of sulfur cathodes in lithium-sulfur batteries (LSBs). Their design focuses on optimizing the charge distribution within the energy spectra, which…

Restructuring of Palladium Nanoparticles during Oxidation by Molecular Oxygen Open

Oleg Usoltsev, Dragos Stoian, Alina Skorynina, Elizaveta Kozyr, Peter N. Njoroge , et al. · 2024

An interplay between Pd and PdO and their spatial distribution inside the particles are relevant for numerous catalytic reactions. Using in situ time‐resolved X‐ray absorption spectroscopy (XAS) supported by theoretical simulations, a mech…

Overcoming Pd Catalyst Deactivation in the C–H Coupling of Tryptophan Residues in Water Using Air as the Oxidant Open

Igor Beckers, Christophe Vos, Hendrik Van Dessel, A Lauwers, Wouter Stuyck , et al. · 2024

The Pd-catalyzed C-H activation of natural tryptophan residues has emerged as a promising approach for their direct synthetic modification. While using water as the solvent and harnessing air as the oxidant is enticing, these conditions in…

Machine Learning for Quantitative Structural Information from Infrared Spectra: The Case of Palladium Hydride Open

Oleg Usoltsev, Andrei A. Tereshchenko, Alina Skorynina, Elizaveta Kozyr, А. В. Солдатов , et al. · 2024

Infrared spectroscopy (IR) is a widely used technique enabling to identify specific functional groups in the molecule of interest based on their characteristic vibrational modes or the presence of a specific adsorption site based on the ch…

EXAFS and DRIFTS data collected during palladium hydride phase formation in supported palladium nanoparticles Open

Aram L. Bugaev, Oleg Usoltsev · 2023

The dataset contains DRIFTS and EXAFS spectra measured under identical conditions at different hydrogen partial pressures with the presence of 0.5% CO in the gas flow. The first line in DRIFTS.dat file is the wavenumber in inverse cm, the …

EXAFS and DRIFTS data collected during palladium hydride phase formation in supported palladium nanoparticles Open

Aram L. Bugaev, Oleg Usoltsev · 2023

The dataset contains DRIFTS and EXAFS spectra measured under identical conditions at different hydrogen partial pressures with the presence of 0.5% CO in the gas flow. The first line in DRIFTS.dat file is the wavenumber in inverse cm, the …

Zeolites as equilibrium-shifting agents in shuttle catalysis Open

Jesse Dallenes, Jonas Wuyts, Niels Van Velthoven, Andraž Krajnc, Gregor Mali , et al. · 2023

Quantitative Structural Description of Zeolites by Machine Learning Analysis of Infrared Spectra Open

Alina Skorynina, Bogdan Protsenko, Oleg Usoltsev, С. А. Гуда, Aram L. Bugaev · 2023

Application of machine learning (ML) algorithms to spectroscopic data has a great potential for obtaining hidden correlations between structural information and spectral features. Here, we apply ML algorithms to theoretically simulated inf…

Zeolite-enhanced transfer hydrocyanation between nitriles and olefins: Expanding the conceptual utility of shape-selectivity in microporous catalysts. Open

Jesse Dallenes, Jonas Wuyts, Niels Van Velthoven, Andraž Krajnc, Gregor Mali , et al. · 2023

The catalytic shuttling of functional moieties has emerged as a promising strategy to substitute and diversify traditional hydrofunctionalization technologies. However, these reactions are reversible due to their isodesmic nature, which li…

In Situ X-ray Absorption Spectroscopy Cells for High Pressure Homogeneous Catalysis Open

Petr Shvets, Pavel A. Prokopovich, Artur Dolgoborodov, Oleg Usoltsev, Alina Skorynina , et al. · 2022

We have designed, built, and tested two cells for in situ and, potentially, operando X-ray absorption spectroscopy experiments in transmission and fluorescence modes. The cells were developed for high-pressure and high-temperature conditio…

Reusable Copper Catechol‐based Porous Polymers for the Highly Efficient Heterogeneous Catalytic Oxidation of Secondary Alcohols Open

Mickaël Henrion, Y. Mohr, K. Janssens, Simon Smolders, Aram L. Bugaev , et al. · 2022

New catechol‐based porous polymers were synthesized and used as platforms for the heterogenization of molecular Cu complexes. The resulting Cu@CatMP‐1 materials proved to be highly stable and performing catalysts for the oxidation of secon…

Sustainable formation of tricarballylic acid from citric acid over highly stable Pd/Nb2O5·nH2O catalysts Open

Wouter Stuyck, Aram L. Bugaev, Tom Nelis, Rodrigo de Oliveira Silva, Simon Smolders , et al. · 2022

Evolution of the active species of homogeneous Ru hydrodeoxygenation catalysts in ionic liquids Open

K. Janssens, Aram L. Bugaev, Elizaveta Kozyr, Vincent Lemmens, Alexander A. Guda , et al. · 2022

This work establishes structure–property relationships in Ru-based catalytic systems for the selective hydrodeoxygenation of ketones to alkenes.

High-Quality in Situ X-Ray Absorption Spectroscopy Monitoring of the Palladium Nucleation Inside the 3d Printed Microfluidic Chip Open

Aram L. Bugaev, Arina V. Dobrovolskaya, Sergei V. Chapek, Oleg Usoltsev, Evgeniy R. Naranov , et al. · 2022

Dehydrogenation of Ethylene on Supported Palladium Nanoparticles: A Double View from Metal and Hydrocarbon Sides Open

Oleg Usoltsev, Anna Yu. Pnevskaya, Elizaveta G. Kamyshova, Andrei A. Tereshchenko, Alina Skorynina , et al. · 2020

Adsorption of ethylene on palladium, a key step in various catalytic reactions, may result in a variety of surface-adsorbed species and formation of palladium carbides, especially under industrially relevant pressures and temperatures. The…

Improving the environmental performance of laminated wood products Open

А И Криворотова, Oleg Usoltsev · 2020

Modification of the formaldehyde resins with an extracts of softwood bark makes it possible to reduce a free formaldehyde emission from laminated wood products, in particular plywood, to increase the strength in chipping and static bending…

Hydrogenation of ethylene over palladium: evolution of the catalyst structure byoperandosynchrotron-based techniques Open

Aram L. Bugaev, Oleg Usoltsev, Alexander A. Guda, Kirill A. Lomachenko, Michela Brunelli , et al. · 2020

We study a carbon-supported palladium-based catalyst during the hydrogenation of ethylene to ethane in a wide range of partial pressures of ethylene and hydrogen.

Time-resolved operando studies of carbon supported Pd nanoparticles under hydrogenation reactions by X-ray diffraction and absorption Open

Aram L. Bugaev, Oleg Usoltsev, Andrea Lazzarini, Kirill A. Lomachenko, Alexander A. Guda , et al. · 2018

We present a comprehensive study of a 5 wt% Pd/C catalyst in various environments by usingin situandoperandoX-ray absorption and diffraction.

Nonlinear atomic vibrations and structural phase transitions in strained carbon chains Open

G. M. Chechin, D. A. Sizintsev, Oleg Usoltsev · 2017

We consider longitudinal nonlinear atomic vibrations in uniformly strained carbon chains with the cumulene structure ($=C=C=)_{n}$. With the aid of ab initio simulations, based on the density functional theory, we have revealed the phenome…

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