Important Publications Released in 2020 - 2024

Nanoplasmonic sensing to study CO and oxygen adsorption and CO oxidation on size-selected Pt10 clusters

Nanoscale, DOI: doi.org/10.1039/D4NR02682A

Benjamin Demirdjian, Mykhailo Vaidulych, Igor Ozerov, Frédéric Bedu, Štefan Vajda and Claude R. Henry

 

Stellar Wind Contribution to the Origin of Water on the Surface of Oxygen-containing Minerals

The Astrophysical Journal, DOI: 10.3847/1538-4357/ad77cd

Svatopluk Civiš, Jiří Kubišta, Jan Plšek, and Antonín Knížek

 

Polaritonic Chemistry Using the Density Matrix Renormalization Group Method

Journal of Chemical Theory and Computation, DOI: doi.org/10.1021/acs.jctc.4c00986

Mikuláš Matoušek, Nam Vu, Niranjan Govind, Jonathan J. Foley IV and Libor Veis

 

Assessing vitamin E acetate as a proxy for E-cigarette additives in a realistic pulmonary surfactant model

Scientific Reports, DOI: doi.org/10.1038/s41598-024-75301-8

Hanna Korolainen, Agnieszka Olżyńska, Wojciech Pajerski, Paulina Chytrosz-Wrobel, Ilpo Vattulainen, Waldemar Kulig & Lukasz Cwiklik

 

Can calmodulin bind to lipids of the cytosolic leaflet of plasma membranes?

Open Biology, DOI: doi.org/10.1098/rsob.240067

Federica Scollo, Carmelo Tempra, Hüseyin Evci, Miguel Riopedre-Fernandez, Agnieszka Olżyńska, Matti Javanainen, Arunima Uday, Marek Cebecauer, Lukasz Cwiklik, Hector Martinez-Seara, Pavel Jungwirth, Piotr Jurkiewicz and Martin Hof

 

The Minimal Membrane Requirements for BAX-induced Pore Opening upon Exposure to Oxidative Stress

Biophysical Journal, DOI: https://doi.org/10.1016/j.bpj.2024.08.017

Paweł Mystek, Vandana Singh, Matěj Horváth, Karolína Honzejková, Petra Riegerová, Hüseyin Evci, Martin Hof, Tomáš Obšil, Radek Šachl

 

The evolution of organic material on Asteroid 162173 Ryugu and its delivery to Earth

Nature Communications, DOI: https://doi.org/10.1038/s41467-024-50004-w

H. G. Changela, Y. Kebukawa, L. Petera, M. Ferus, E. Chatzitheodoridis, L. Nejdl, R. Nebel, V. Protiva, P. Krepelka, J. Moravcova, R. Holbova, Z. Hlavenkova, T. Samoril, J. C. Bridges, S. Yamashita, Y. Takahashi, T. Yada, A. Nakato, K. Sobotkova, H. Tesarova & D. Zapotok

 

Catalytic dehalogenation with activated borane, a porous borane cluster polymer

Catalysis Science & Technology, DOI: doi.org/10.1039/D4CY00732H

Abhishek Udnoor, Béla Urbán, Karel Škoch, Jan Hynek, Michal Horáček, Martin Lamač and Jan Demel

 

Are Redox-Active Centers Bridged by Saturated Flexible Linkers Systematically Electrochemically Independent?

Angewandte Chemie, DOI: doi.org/10.1002/anie.202406299 

Dr. Eva Vaněčková, Mustapha Dahmane, Jérémy Forté, Dr. Sawsen Cherraben, Dr. Xuan-Qui Pham, Dr. Romana Sokolová, Dr. Éric Brémond, Dr. Magdaléna Hromadová, Dr. Philippe P. Lainé

 

Decomposition of HCN during Experimental Impacts in Dry and Wet Planetary Atmospheres

ACS Earth and Space Chemistry, DOI: doi.org/10.1021/acsearthspacechem.4c00064

Antonín Knížek, Lukáš Petera, Vojtěch Laitl, and Martin Ferus

 

Radical ligand transfer: mechanism and reactivity governed by three-component thermodynamics

Chemical Science, DOI: doi.org/10.1039/D4SC01507J

Zuzanna Wojdyla and  Martin Srnec

 

Interaction of low-energy electrons with radiosensitizers

Physical Chemistry Chemical Physics, DOI: 10.1039/D3CP06003A

Barbora Sedmidubská and Jaroslav Kočišek

 

Oxygen Splitting and Methane Oxidation over Fe-Mordenite: Insight by the Operando 2D COS UV–Vis–NIR–IR Approach

The Journal of Physical Chemistry C, DOI: doi.org/10.1021/acs.jpcc.3c08225

Karolina Tarach, Julia Sobalska, Agnieszka Held, Jiří Dědeček, Edyta Tabor, and Kinga Góra-Marek

 

Dynamics of collisions and uptake of alcohol molecules with hydrated nitric acid clusters

Faraday Discussions, DOI: doi.org/10.1039/D3FD00160A

Karolina Farnikova, Eva Pluharova, Andriy Pysanenko, Michal Farnik, Yan Yihui and Jozef Lengyel,

 

High-quality dense ZnO thin films: work function and photo/electrochemical properties

Journal of Solid State Electrochemistry, DOI: doi.org/10.1007/s10008-023-05766-6 

H. Krysova, V. Mansfeldova, H. Tarabkova, A. Pisarikova, Z. Hubicka & L. Kavan

 

Preparation of silyl-terminated branched polyethylenes catalyzed by Brookhart's nickel diimine complex activated with hydrosilane/B(C6F5)3

Dalton Transactions, DOI: doi.org/10.1039/D3DT04200F

Vojtech Varga, Kristýna Pokorná, Martin Lamač, Michal Horáček and  Jiří Pinkas

 

Dissociative electron attachment to carbon tetrachloride probed by velocity map imaging

Physical Chemistry Chemical Physics, DOI: doi.org/10.1039/D3CP04834A

Anirban Paul, Dhananjay Nandi, Daniel S. Slaughter, Juraj Fedor and Pamir Nag

 

Influence of carbon structure/porosity on the electrochemical performance in Li–sulfur batteries

Monatshefte für Chemie - Chemical Monthly, DOI: doi.org/10.1007/s00706-023-03160-6

Barbora Pitňa Lásková, Markéta Zukalová, Monika Vinarčíková & Ladislav Kavan 

 

Self-Biased High-Responsivity Photodetector Based on a Bi2SeTe2 Topological Insulator

ACS Applied Electronic Materials, DOI: doi.org/10.1021/acsaelm.3c01195

Satyam Sahu, Jaganandha Panda, Golam Haider, Otakar Frank, Martin Kalbáč, and Matĕj Velický

 

Interplay of band energetics and photo/electro/chemical activity of SnO2 thin films

Monatshefte für Chemie - Chemical Monthly, DOI: doi.org/10.1007/s00706-023-03145-5 

Ladislav Kavan, Magda Zlamalova, Vera Mansfeldova, Hana Krysova, Hana Tarabkova & Barbora Pitna Laskova

 

Nature and Redox Properties of Iron Sites in Zeolites Revealed by Mössbauer Spectroscopy

ChemPlusChem, DOI: doi.org/10.1002/cplu.202300543

Dr. Agnieszka Kornas, Dr. Kinga Mlekodaj, Dr. Edyta Tabor

 

Gas phase H+, H3O+ and NH4+ affinities of oxygen-bearing volatile organic compounds; DFT calculations for soft chemical ionisation mass spectrometry

Physical Chemistry Chemical Physics, DOI: doi.org/10.1039/D3CP03604A

Maroua Omezzine Gnioua, Anatolii Spesyvyi and Patrik Španěl 

 

Light-induced damage to DNA origami nanostructures in the 193 nm–310 nm range

Journal of Physics B: Atomic, Molecular and Optical Physics, DOI: 10.1088/1361-6455/acf3bd 

Leo Sala, Jozef Rakovský, Agnes Zerolová and Jaroslav Kočišek

 

Cyclohexane Oxidative Dehydrogenation on Graphene-Oxide-Supported Cobalt Ferrite Nanohybrids: Effect of Dynamic Nature of Active Sites on Reaction Selectivity

ACS Catalysis, DOI: doi.org/10.1021/acscatal.3c02592

Shashikant A. Kadam, Stefania Sandoval, Zdeněk Bastl, Karolína Simkovičová, Libor Kvítek, Juraj Jašík, Joanna Elżbieta Olszówka, Stanislav Valtera, Mykhailo Vaidulych, Jaroslava Morávková, Petr Sazama, David Kubička, Arnaud Travert, Jeroen A. van Bokhoven, Alessandro Fortunelli, Armin Kleibert, Martin Kalbáč, and Štefan Vajda

 

Experimental setup for probing electron-induced chemistry in liquid micro-jets

Journal of Physics B: Atomic, Molecular and Optical Physics, DOI: doi.org/10.1088/1361-6455/ad0205

Pamir Nag, Miloš Ranković, H Christian Schewe, Jozef Rakovský, Leo Sala, Jaroslav Kočišek and Juraj Fedor

 

Role of Spin Polarization and Dynamic Correlation in Singlet–Triplet Gap Inversion of Heptazine Derivatives

Journal of Chemical Theory and Computation, DOI: doi.org/10.1021/acs.jctc.3c00781

Daria Drwal, Mikulas Matousek, Pavlo Golub, Aleksandra Tucholska, Michał Hapka, Jiri Brabec, Libor Veis, and Katarzyna Pernal

 

Effect of Graphite Aging on Its Wetting Properties and Surface Blocking by Gaseous Nanodomains

Langmuir, DOI: doi.org/10.1021/acs.langmuir.3c02151

Hana Tarábková and Pavel Janda

 

A SIFT-MS study of positive and negative ion chemistry of the ortho-, meta- and para-isomers of cymene, cresol, and ethylphenol

Physical Chemistry Chemical Physics, DOI: doi.org/10.1039/D3CP02123H

Stefan J Swift, Nikola Sixtová, Maroua Omezzine Gnioua and Patrik Španěl

 

Electrostatic Gating of Monolayer Graphene by Concentrated Aqueous Electrolytes

The Journal of Physical Chemistry Letters, DOI: doi.org/10.1021/acs.jpclett.3c00814

Ghulam Abbas, Farjana J. Sonia, Martin Jindra, Jiří Červenka, Martin Kalbáč, Otakar Frank, and Matěj Velický

 

Does HNO3 dissociate on gas-phase ice nanoparticles?

Physical Chemistry Chemical Physics, DOI: doi.org/10.1039/D3CP02757K

Anastasiya Khramchenkova, Andriy Pysanenko, Jozef Ďurana, Barbora Kocábková, Michal Fárník and Jozef Lengyel

 

How to Use Ion-Molecule Reaction Data Previously Obtained in Helium at 300 K in the New Generation of Selected Ion Flow Tube Mass Spectrometry Instruments Operating in Nitrogen at 393 K

Analytical Chemistry, DOI: doi.org/10.1021/acs.analchem.3c02173 

Stefan J. Swift, Patrik Španěl, Nikola Sixtová, and Nicholas Demarais

 

High-entropy oxychloride increasing the stability of Li–sulfur batteries

RSC Advances, DOI: doi.org/10.1039/D3RA01496G

Markéta Zukalová, Martin Fabián, Olena Porodko, Monika Vinarčíková, Barbora Pitňa Lásková and Ladislav Kavan

 

Determining the Functional Oligomeric State of Membrane-Associated Protein Oligomers Forming Membrane Pores on Giant Lipid Vesicles

Analytical Chemistry, DOI: doi.org/10.1021/acs.analchem.2c05692

Vandana Singh, Sabína Macharová, Petra Riegerová, Julia P. Steringer, Hans-Michael Müller, Fabio Lolicato, Walter Nickel, Martin Hof, and Radek Šachl

 

Charged Ice Particle Beams with Selected Narrow Mass and Kinetic Energy Distributions

Journal of the American Society for Mass Spectrometry, DOI: doi.org/10.1021/jasms.2c00357

Anatolii Spesyvyi, Ján Žabka, Miroslav Polášek, Ales Charvat, Jürgen Schmidt, Frank Postberg, and Bernd Abel

 

Large-Area Mechanically-Exfoliated Two-Dimensional Materials on Arbitrary Substrates

Advanced Materials Technologies, DOI: doi.org/10.1002/admt.202201993

Satyam Sahu, Golam Haider, Alvaro Rodriguez, Jan Plšek, Martin Mergl, Martin Kalbáč, Otakar Frank, Matěj Velický

 

Electron Energy Loss Processes in Methyl Methacrylate: Excitation and Bond Breaking

The Journal of Physical Chemistry A, DOI: doi.org/10.1021/acs.jpca.2c09077

Thomas F. M. Luxford, Juraj Fedor, and Jaroslav Kočišek

 

Reactivity Factors in Catalytic Methanogenesis and Their Tuning upon Coenzyme F430 Biosynthesis

Journal of the American Chemical Society, DOI: doi.org/10.1021/jacs.3c00469

Priyam Bharadwaz, Mauricio Maldonado-Domínguez, Jakub Chalupský, and Martin Srnec

 

Luminescent Zirconocene Complexes with Pendant Phosphine Chalcogenide Donor Groups

Organometallics, DOI: doi.org/10.1021/acs.organomet.3c00082

Béla Urbán, David Dunlop, Róbert Gyepes, Pavel Kubát, Kamil Lang, Michal Horáček, Jiří Pinkas, Ludmila Šimková, and Martin Lamač

 

Complex Strain Scapes in Reconstructed Transition-Metal Dichalcogenide Moiré Superlattices

ACS Nano, DOI: doi.org/10.1021/acsnano.3c00609

Álvaro Rodríguez, Javier Varillas, Golam Haider, Martin Kalbáč, and Otakar Frank

 

Evolution of Active Oxygen Species Originating from O2 Cleavage over Fe-FER for Application in Methane Oxidation

ACS Catalysis, DOI: doi.org/10.1021/acscatal.2c06099

Kinga Mlekodaj, Mariia Lemishka, Agnieszka Kornas, Dominik K. Wierzbicki, Joanna E. Olszowka, Hana Jirglová, Jiri Dedecek, and Edyta Tabor

 

Recent developments and applications of selected ion flow tube mass spectrometry (SIFT-MS)

Mass Spectometry Reviews, DOI: doi.org/10.1002/mas.21835

David Smith, Patrik Španěl, Nicholas Demarais, Vaughan S. Langford, Murray J. McEwan

 

Chiral Light Emission from a Hybrid Magnetic Molecule–Monolayer Transition Metal Dichalcogenide Heterostructure

ACS Nano, DOI: doi.org/10.1021/acsnano.2c08320

Vaibhav Varade, Golam Haider, Artur Slobodeniuk, Richard Korytar, Tomas Novotny, Vaclav Holy, Jiri Miksatko, Jan Plsek, Jan Sykora, Miriam Basova, Martin Zacek, Martin Hof, Martin Kalbac, and Jana Vejpravova

Projection-Based Density Matrix Renormalization Group in Density Functional Theory Embedding

The Journal of Physical Chemistry Letters, DOI: doi.org/10.1021/acs.jpclett.2c03298

Pavel Beran, Katarzyna Pernal, Fabijan Pavošević, and Libor Veis

Bridging Gaps between Clusters in Molecular-Beam Experiments and Aerosol Nanoclusters

The Journal of Physical Chemistry Letters, DOI: doi.org/10.1021/acs.jpclett.2c03417

Michal Fárník

fárník 2023

Surface modifications of a silicalite film designed for coating orthopaedic implants

Materials & Design, DOI: doi.org/10.1016/j.matdes.2022.111373

Antonín Brož, IvanJirka, Roman Matějka,Jana Štěpanovská, Martina Doubková, Petr Sajdl, Jan Drahokoupil, Oleksandr Volochansky, Terézia Futóová, Lucie Bačáková

Jirka

H-Atom Abstraction Reactivity through the Lens of Asynchronicity and Frustration with Their Counteracting Effects on Barriers

Inorganic Chemistry, DOI: doi.org/10.1021/acs.inorgchem.2c03269

Mauricio Maldonado-Domínguez and Martin Srnec

Hydrogen atom abstraction (HAA) is central to life, and its importance in synthetic chemistry continues to grow.

Exploring the materials space in the smallest particle size range: from heterogeneous catalysis to electrocatalysis and photocatalysis

Physical Chemistry Chemical Physics, DOI: doi.org/10.1039/D1CP05677H

Juraj Jašík, Alessandro Fortunelli and Štefan Vajda

Ultrasmall clusters of subnanometer size can possess unique and even unexpected physical and chemical propensities

Nonadiabatic excited-state dynamics of ReCl(CO)3(bpy) in two different solvents

Physical Chemistry Chemical Physics, DOI: doi.org/10.1039/D2CP02981B

Adam Šrut, Sebastian Mai, Igor V. Sazanovich, Jan Heyda, Antonín Vlček, Leticia González and  Stanislav Záliš

Difference TRIR spectra of Rebpy in ACN and DMSO

Bimolecular reactions on sticky and slippery clusters: Electron-induced reactions of hydrogen peroxide

The Journal of Chemical Physics, DOI: doi.org/10.1063/5.0079283

Jan Poštulka, Petr Slavíček, Andriy Pysanenko, Viktoriya Poterya, and  Michal Fárník

The electron attachment mass spectrum of the (H2O2)N(H2O)M nanoparticles

Electrochemical Detection of Isolated Nanoscale Defects in 2D Transition Metal Dichalcogenides

The Journal of Physical Chemistry C, DOI: doi.org/10.1021/acs.jpcc.2c01656

Marc Brunet Cabré, Aislan Esmeraldo Paiva, Matěj Velický, Paula E. Colavita, and Kim McKelvey

nanoscale defects

Comparison of mononuclear and dinuclear copper(ii) biomimetic complexes: spectroelectrochemical mechanistic study of their catalytic pathways

Dalton Transactions, DOI: doi.org/10.1039/D2DT01610A

Milan Sýs, Jana Kocábová, Jitka Klikarová, Miroslav Novák, Robert Jirásko, Michaela Obluková, Tomáš Mikysek, Romana Sokolová

mechanism

Molecular-level insight into uptake of dimethylamine on hydrated nitric acid clusters

The Journal of Physical Chemistry C, DOI: doi.org/10.1039/D2EA00094F

Andriy Pysanenko, Karolína Fárníková, Jozef Lengyel, Eva Pluhařová and  Michal Fárník

molecular-level insight into uptake of dimethylamine

Additive transport in DNA molecular circuits

The Journal of Physical Chemistry C, DOI: doi.org/10.1039/D2TC01219G

Táňa Sebechlebská, Viliam Kolivoška, Jakub Šebera, Jiří Fukal, David Řeha, Miloš Buděšínský, Ivan Rosenberg, Lucie Bednárová, Jindřich Gasior, Gábor Mészáros, Magdaléna Hromadová and  Vladimír Sychrovský

Additive transport in DNA molecular circuits

NMR Crystallography of Monovalent Cations in Inorganic Matrices: Na+ Siting and the Local Structure of Na+ Sites in Ferrierites

The Journal of Physical Chemistry C, DOI: doi.org/10.1021/acs.jpcc.2c02496

Petr Klein, Jiri Dedecek, Haunani M. Thomas, Sarah R. Whittleton, Jiri Klimes, Jiri Brus, Libor Kobera, David L. Bryce, and Stepan Sklenak

June 22, 2022

Zeolites are crystalline microporous aluminosilicates of paramount importance

Reactions of permethyltitanocene tucked-in derivatives with carbon dioxide

Dalton Transactions, DOI: doi.org/10.1039/D2DT01344D

Jiří Pinkas, Róbert Gyepes, Miroslav Polášek, Karel Mach, Michal Horáček

June 10, 2022

Michal Horacek

Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet–Triplet Gaps of Biradicals

The Journal of Physical Chemistry Letters, DOI: doi.org/10.1021/acs.jpclett.2c00993

Daria Drwal, Pavel Beran, Michał Hapka, Marcin Modrzejewski, Adam Sokół, Libor Veis, Katarzyna Pernal

May 17, 2022

expansion

Activation of Raman modes in monolayer transition metal dichalcogenides through strong interaction with gold

Physical Review B, DOI: doi.org/10.1103/PhysRevB.105.195413

Alvaro Rodriguez, Matěj Velický, Jaroslava Řáhová, Viktor Zólyomi, János Koltai, Martin Kalbáč, and Otakar Frank

May 10, 2022

Raman modes

 

Toward Graphene-Enhanced Spectroelectrochemical Sensors

Advanced Materials Interfaces, DOI: doi.org/10.1002/admi.202200478

Preeti Kaushik, Farjana J. Sonia, Golam Haider, Mukesh Kumar Thakur, Václav Valeš, Jing Kong, Martin Kalbáč

June 7, 2022

 graphene-enhanced spectroelectrochemical sensor

Exploring the materials space in the smallest particle size range: from heterogeneous catalysis to electrocatalysis and photocatalysis

Physical Chemistry Chemical Physics, DOI: doi.org/10.1039/D1CP05677H

Juraj Jašík, Alessandro Fortunelli, Štefan Vajda 

April 19, 2022

Co cluster on NaCl–Au

Electrochemical Test of Flexibility of Pyridine Terminated Molecular Rods

Electrochimica Acta, DOI: doi.org/10.1016/j.electacta.2022.140377

Guillaume Bastien, Štěpánka Nováková Lachmanová, Jan Tarábek, Igor Rončević, Magdaléna Hromadová, Jiří Kaleta, Lubomír Pospíšil

July 1, 2022

electrochemical

Uptake of Hydrogen Bonding Molecules by Benzene Nanoparticles

The Journal of Physical Chemistry Letters, DOI: doi.org/10.1021/acs.jpclett.2c00835

Ivo S. Vinklárek, Andriy Pysanenko, Eva Pluhařová, and Michal Fárník

April 21, 2022

uptake

Atom by atom built subnanometer copper cluster catalyst for the highly selective oxidative dehydrogenation of cyclohexene

The Journal of Chemical Physics, DOI: doi.org/10.1063/5.0065350

Stanislav Valtera,  Juraj Jašík,  Mykhailo Vaidulych,  Joanna Elżbieta Olszówka,  Magda Zlámalová,  Hana Tarábková, Ladislav Kavan, and  Štefan Vajda

March 15, 2022

Subnanometer scale materials

Quantum Dots in Peroxidase-like Chemistry and Formamide-Based Hot Spring Synthesis of Nucleobases 

Astrobilogy, DOI: doi.org/10.1089/ast.2021.0099

Lukáš Nejdl, Lukáš Petera, Judit Šponer, Kristýna Zemánková, Kristýna Pavelicová, Antonín Knížek, Vojtěch Adam, Markéta Vaculovičová, Ondřej Ivanek, and Martin Ferus

March 23, 2022

Story of the nanoparticle

The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron–Sulfur Cubanes

Journal of Chemical Theory and Computation, DOI: doi.org/10.1021/acs.jctc.1c00830

Carlos Mejuto-Zaera, Demeter Tzeli, David Williams-Young, Norm M. Tubman, Mikuláš Matoušek, Jiri Brabec, Libor Veis, Sotiris S. Xantheas, and Wibe A. de Jong

January 16, 2022

Iron–sulfur clusters

Capacitance of the interface between two immiscible electrolyte solutions – A controversial issue

Electrochimica Acta, DOI: doi.org/10.1016/j.electacta.2021.139720

Antonín Trojánek, Vladimír Mareček, Zdeněk Samec

January 20, 2022

Interfacial tension

Inherent electrochemical activity of TiO2 (anatase, rutile) enhances the charge capacity of cathodes of lithium-sulfur batteries

Journal of Solid State Electrochemistry, DOI: doi.org/10.1007/s10008-022-05115-z

M. Zlámalová, B. Pitňa Lásková, M. Vinarčíková, M. Zukalová & L. Kavan

January 15, 2022

Scanning electron microscopy images

Hierarchical TiO2 Layers Prepared by Plasma Jets

Nanomaterials, DOI: doi.org/10.3390/nano11123254

Radek Zouzelka, Jiri Olejnicek,Petra Ksirova,Zdenek Hubicka,Jan Duchon,Ivana Martiniakova, Barbora Muzikova, Martin Mergl, Martin Kalbac, Libor Brabec, Milan Kocirik, Monika Remzova, Eva Vaneckova and Jiri Rathousky

November 30, 2021

Graphical abstract

Sequestration of Proteins in Stress Granules Relies on the In-Cell but Not the In Vitro Folding Stability

J. Am. Chem. Soc., DOI: doi/10.1021/jacs.1c09589

Sara S. Ribeiro, Mailin Becker, Emeline Laborie, Roland Pollak, Stepan Timr, Fabio Sterpone, Simon Ebbinghaus

November 17, 2021

1

 

On the Supra-LUMO Interaction: Case Study of a Sudden Change of Electronic Structure as a Functional Emergence

Chemistry A European Journal, DOI: doi.org/10.1002/chem.202103136

Alexis Gosset, Štěpánka Nováková Lachmanová, Sawsen Cherraben, Gildas Bertho, Jérémy Forté, Christian Perruchot, Henri-Pierre Jacquot de Rouville, Lubomír Pospíšil, Magdaléna Hromadová, Éric Brémond, Philippe P. Lainé

November 10, 2021

1

 

Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic Connection

J. Chem. Theory Comput., DOI: https://doi.org/10.1021/acs.jctc.1c00896

Pavel Beran, Mikuláš Matoušek, Michał Hapka, Katarzyna Pernal and Libor Veis

November 11, 2021

1

 

On-Surface Strain-Driven Synthesis of Nonalternant Non-Benzenoid Aromatic Compounds Containing Four- to Eight-Membered Rings

American Chemical Society, DOI: https://doi.org/10.1021/jacs.1c06168

Benjamin Mallada, Bruno de la Torre, Jesús I. Mendieta-Moreno, Dana Nachtigallová, Adam Matěj, Mikulas Matoušek, Pingo Mutombo, Jiri Brabec, Libor Veis, Timothée Cadart, Martin Kotora and Pavel Jelínek

August 31, 2021

1

 

Probing polymer brushes with electrochemical impedance spectroscopy: a mini review

Biomaterials Science, DOI: https://doi.org/10.1039/D1BM01330K

Judita Anthi, Viliam Kolivoška, Barbora Holubová, Hana Vaisocherová-Lísalová

October 20, 2021

obr

 

Electrolyte versus Dielectric Gating of Two-Dimensional Materials

The Journal of Physical Chemistry C, DOI: https://doi.org/10.1021/acs.jpcc.1c04795

Matěj Velický

October 5, 2021

Obr

 

Screen-printed amalgam electrodes

Sensors and Actuators B: Chemical, DOI: https://doi.org/10.1016/j.snb.2021.130583

Bohdan Josypčuk, Jan Langmaier, Sofiia Tvorynska

November 15, 2021

Obr

 

Does the Seebeck coefficient of a single-molecule junction depend on the junction configuration?

Journal of Materials Chemistry A, DOI: https://doi.org/10.1039/D1TA05324H

František Vavrek,  Olena Butsyk, Viliam Kolivoška, Štěpánka Nováková Lachmanová, Táňa Sebechlebská, Jakub Šebera, Jindřich Gasior, Gábor Mészárosb  and  Magdaléna Hromadová

July 28, 2020

hromadova

Bifurcating reactions: distribution of products from energy distribution in a shared reactive mode

Chemical Science, DOI: https://doi.org/10.1039/D1SC02826J

Priyam Bharadwaz, Mauricio Maldonado-Domínguez and  Martin Srnec

August 23, 2021

Srnec

Two-Dimensional CVD-Graphene/Polyaniline Supercapacitors: Synthesis Strategy and Electrochemical Operation

ACS Applied Materials & Interfaces, DOI: https://doi.org/10.1021/acsami.1c05054
Michal Bláha, Milan Bouša, Václav Valeš, Otakar Frank, and Martin Kalbáč

July 28, 2021

polyanilin

 

Flow amperometric uric acid biosensors based on different enzymatic mini-reactors: A comparative study of uricase immobilization

Sensors and Actuators B: Chemical, DOI: https://doi.org/10.1016/j.snb.2021.130252
Sofiia Tvorynska, Jiří Barek, Bohdan Josypčuk

June 7, 2021

Sensors and Actuators B: Chemical, DOI: https://doi.org/10.1016/j.snb.2021.130252 Sofiia Tvorynska, Jiří Barek, Bohdan Josypčuk Flow amperometric uric acid biosensors based on different enzymatic mini-reactors: A comparative study of uricase immobilization

Electrochemical Reduction of Carbon Dioxide on 3D Printed Electrodes

ChemElectroChem, DOI: 10.1002/celc.202100261
Eva Vaněčková, Milan Bouša, Violetta Shestivska, Jiří Kubišta, Pavel Moreno-García, Peter Broekmann, Motiar Rahaman, Martin Zlámal, Jan Heyda, Milan Bernauer, Táňa Sebechlebská, Viliam Kolivoška

May 12, 2021

vilo kolivoška

 

Inorganic Chemistry, DOI: 10.1021/acs.inorgchem.1c00461
David Dunlop, Miloš Večeřa, Róbert Gyepes, Pavel Kubát, Kamil Lang, Michal Horáček, Jiří Pinkas, Ludmila Šimková, Alan Liška, and Martin Lamač

Luminescent Cationic Group 4 Metallocene Complexes Stabilized by Pendant N-Donor Groups

May 17, 2021

liška

 

Advanced Functional Materials, 2021, DOI: 10.1002/adfm.202102196 This article is Open Access

Golam Haider, Krishna Sampathkumar, Tim Verhagen, Lukáš Nádvorník, Farjana J. Sonia, Václav Valeš, Jan Sýkora, Peter Kapusta, Petr Němec, Martin Hof, Otakar Frank, Yang‐Fang Chen, Jana Vejpravová, Martin Kalbáč

Superradiant Emission from Coherent Excitons in van Der Waals Heterostructures

May 12, 2021

Kalbáč may2021

 

Renewable Energy, 2021, DOI: 10.1016/j.renene.2020.12.115 This article is Open Access

Pavla Honcová, Galina Sádovská, Jana Pastvová, Petr Koštál, Jürgen Seidel, Petr Sazam, Radim Pilař

Improvement of thermal energy accumulation by incorporation of carbon nanomaterial into magnesium chloride hexahydrate and magnesium nitrate hexahydrate

May, 2021

Mlekodaj

 

PNAS, 2021, DOI: 10.1073/pnas.2024627118

Stanislav Záliš, Jan Heyda, Filip Šebesta, Jay R. Winkler, Harry B. Gray, Antonín Vlček

Photoinduced hole hopping through tryptophans in proteins

March 16, 2021

 

ACS Catalysis, 2021 DOI: 10.1021/acscatal.0c04459

Edyta Tabor, Mariia Lemishka, Joanna E. Olszowka, Kinga Mlekodaj, Jiri Dedecek, Prokopis C. Andrikopoulos, and Stepan Sklenak

Splitting Dioxygen over Distant Binuclear Fe Sites in Zeolites. Effect of the Local Arrangement and Framework Topology

February 19, 2021

Edyta

 

Chemistry of Materials, 2021 DOI: 10.1021/acs.chemmater.0c04710

Kinga Mlekodaj, Milan Bernauer, Joanna E. Olszowka, Petr Klein, Veronika Pashkova and Jiri Dedecek

Synthesis of the Zeolites from SBU: An SSZ-13 Study

March 9, 2021

Kinga

 

Carbon, 2021 DOI: 10.1016/j.carbon.2020.11.003

Javier Varillas, Otakar Frank,

Wrinkle development in graphene sheets with patterned nano-protrusions: A molecular dynamics study

November 6, 2020

Frank

 

 

Advanced Sustainable Systems, 2021 DOI: 10.1002/adsu.202000298

Miguel Díaz‐Sánchez, Roxana Nicoleta Murgu, Diana Díaz‐García, José M. Méndez‐Arriaga, Sanjiv Prashar, Béla Urbán, Jiří Pinkas, Martin Lamač, Michal Horáček, Santiago Gómez‐Ruiz

Synergistic Effect of Cu,F‐Codoping of Titanium Dioxide for Multifunctional Catalytic and Photocatalytic Studies

March 26, 2021

 

Chemistry a European Journal, 2020, DOI: 10.1002/chem.202004779

Dr. Jan Plšek, Dr. Karolina Anna Drogowska‐Horná, Dr. Valentino L. P. Guerra, Dr. Jiří Mikšátko, Dr. Václav Valeš, Dr. Martin Kalbáč

Towards Catalytically Active Porous Graphene Membranes with Pulsed Laser Deposited Ceria Nanoparticles

December 16, 2020

Chemistry

 

Advance Functional Materials, 2021, DOI: 10.1002/adfm.202009007

Petr Kovaricek, Peter Nadazdy, Eva Pluharova, Alica Brunova, Riyas Subair, Karol Vegso, Valentino Libero,Pio Guerra, Oleksandr Volochanskyi, Martin Kalbac, Alexander Krasnansky, Pallavi Pandit, Stephan Volker Roth, Alexander Hinderhofer, Eva Majkova, Matej Jergel, Jianjun Tian, Frank Schreiber, Peter Siffalovic

Crystallization of 2D Hybrid Organic–Inorganic Perovskites Templated by Conductive Substrates

January 20, 2021

Kovaricek

 

Angewandte Chemie, 2021, DOI: 10.1002/anie.202013882 This article is Open Access
Štěpánka Nováková Lachmanová, Viliam Kolivoška, Jakub Šebera, Jindřich Gasior, Gábor Mészáros, Grégory Dupeyre, Philippe P. Lainé, Magdaléna Hromadová

Environmental Control of Single‐Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring

February 23, 2021

Hromadova

 

The Journal of Physical Chemistry Letters, 2021, DOI:10.1021/acs.jpclett.0c03652

Jakub Chalupský, Martin Srnec and Takeshi Yanai

Interpretation of Exchange Interaction through Orbital Entanglement

January 26, 2021

Srnec

 

PCCP, 2021, DOI: 10.1039/D0CP06127A  This article is Open Access

Michal Fárník, Juraj Fedor, Jaroslav Kočišek, Jozef Lengyel, Eva Pluhařová, Viktoriya Poteryaa and Andriy Pysanenko

Pickup and reactions of molecules on clusters relevant for atmospheric and interstellar processes

January 19, 2021

 

Farnik

2020

Electrochimica Acta, 2020, DOI: 10.1016/j.electacta.2020.137327
Rebecca K.Pittkowski, Daniel F.Abbott, Roman Nebel, Spyridon Divanis, Emiliana Fabbri, Ivano E. Castelli, Thomas J. Schmidt, Jan Rossmeisl, Petr Krtil

Synergistic effects in oxygen evolution activity of mixed iridium-ruthenium pyrochlores

November 2, 2020

krtil

 

Electrochimica Acta, 2020, DOI: 10.1016/j.electacta.2020.137059
Antonín Trojánek, Zdeněk Samec, Vladimír Mareček 

Self-perturbation of the salt partition at the water/1,2-dichloroethane interface

November 20, 2020

Samec

 

Analytical Chemistry, 2020, DOI: 10.1021/acs.analchem.0c03276
Radek Šachl, Sabína Čujová, Vandana Singh, Petra Riegerová, Peter Kapusta, Hans-Michael Müller, Julia P. Steringer, Martin Hof, and Walter Nickel

Functional Assay to Correlate Protein Oligomerization States with Membrane Pore Formation

November 17, 2020

Sachl

 

ACS Nano, 2020, DOI: 10.1021/acsnano.0c03161
Tim Verhagen, Jiri Klimes, Barbara Pacakova, Martin Kalbac, and Jana Vejpravova Anomalous Freezing of Low-Dimensional Water Confined in Graphene Nanowrinkles

November 24, 2020

grafen led

 

Talanta, 2020, DOI: 10.1016/j.talanta.2020.121594
Vojtěch Hrdlička, Jiří Barek, Tomáš Navrátil
Differential pulse voltammetric determination of homovanillic acid as a tumor biomarker in human urine after hollow fiber-based liquid-phase microextraction

January 1, 2021

Talanta Navrátil 2020

 

Electrochimica Acta, 2020, DOI: 10.1016/j.electacta.2020.136623
Vojtěch Hrdlička, Marta Choińska, Beatriz Ruiz Redondo, Jiří Barek, Tomáš Navrátil
Determination of heavy metal poisoning antidote 2,3-dimercapto-1-propanesulfonic acid using silver solid amalgam electrode

September 10, 2020

Navratil

 

Advanced Optical Materials, 2020, DOI: 10.1002/adom.202070075 
Golam Haider  Yen‐Hsiang Wang  Farjana J. Sonia  Chia‐Wei Chiang  Otakar Frank  Jana Vejpravova  Martin Kalbáč  Yang‐Fang Chen
Rippled Nanostack Phototransistor: Rippled Metallic‐Nanowire/Graphene/Semiconductor Nanostack for a Gate‐Tunable Ultrahigh‐Performance Stretchable Phototransistor

October 5, 2020

Advanced Optical Materials

 

Icarus, 2020, DOI: 10.1016/j.icarus.2020.114057 This article is fully accessible until October 24, 2020
Illia Zyma, Ján Žabka, Miroslav Polášek, Thuy Dung Tran, Patrik Španěl, David Smith, Experimental study of the reaction of O− ions with CO2 molecules with different ternary gases at temperatures relevant to the Martian ionosphere

August 17, 2020

spanel august 2020

 

Electrochimica Acta, 2020, DOI: 10.1016/j.electacta.2020.136984 This article is fully accessible until October 21, 2020
João Giorgini Escobar, Eva Vaněčková, Štěpánka Nováková Lachmanová, Federico Vivaldi, Jan Heyda, Jiří Kubišta, Violetta Shestivska, Patrik Španěl, Karolina Schwarzová-Pecková, Jiří Rathouský, Táňa Sebechlebská, Viliam Kolivoška
The development of a fully integrated 3D printed electrochemical platform and its application to investigate the chemical reaction between carbon dioxide and hydrazine

August 24, 2020

kolivoska

 

Inorganic Chemistry, 2020, DOI: 10.1021/acs.inorgchem.0c00249
Gautam D. Stroscio, Martin Srnec, and Ryan G. Hadt
Multireference Ground and Excited State Electronic Structures of Free- versus Iron Porphyrin-Carbenes

July 6, 2020

Martin Srnec

 

Physical Chemistry Chemical Physics, 2021, DOI: 10.1039/C9CP06817A  This article is Open Access
Andriy Pysanenko, Eva Pluhařová, Ivo S. Vinklárek, Jozef Rakovský, Viktoriya Poterya, Jaroslav Kočišek and  Michal Fárník 
Ion and radical chemistry in (H2O2)N clusters

June 29, 2020  

Farnik

 

Journal of Hazardous Materials, 2021, DOI: 10.1016/j.jhazmat.2020.123411
Lukasz Poltorak, Konrad Rudnicki,  Viliam Kolivoška, Táňa Sebechlebská, Paweł Krzyczmonik, Sławomira Skrzypek
Electrochemical study of ephedrine at the polarized liquid-liquid interface supported with a 3D printed cell

January 15, 2021  

Kolivoska

 

The Journal of Physical Chemistry Letters, 2020, DOI: 10.1021/acs.jpclett.0c01287 This article is Open Access
Matěj Velický, Alvaro Rodriguez, Milan Bouša, Andrey V. Krayev, Martin Vondráček, Jan Honolka, Mahdi Ahmadi, Gavin E. Donnelly, Fumin Huang, Héctor D. Abruña, Kostya S. Novoselov, and Otakar Frank
Strain and Charge Doping Fingerprints of the Strong Interaction between Monolayer MoS2 and Gold

July 17, 2020

physical chemistry letters

 

Physical Chemistry Chemical Physics, 2020, DOI: 10.1039/D0CP00538J  This article is Open Access
Michal Lacko, Bartosz Michalczuk, Štefan Matejčík, Patrik Španěl   
Ion chemistry of phthalates in selected ion flow tube mass spectrometry: isomeric effects and secondary reactions with water vapour

July 10, 2020

spanel

 

Langmuir 2020, DOI: 10.1021/acs.langmuir.0c00331
Hana Tarábková, Pavel Janda
Nanobubble-Assisted Nanopatterning Reveals the Existence of Liquid Quasi-Two-Dimensional Foams Pinned to a Water-Immersed Surface

June 5, 2020

Langmuir

 

Journal of the American Chemical Society, 2020, DOI: 10.1021/jacs.0c01786
Daniel Bím, Jakub Chalupský, Martin Culka, Edward I. Solomon, Lubomír Rulíšek, and Martin Srnec
Proton–Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase

June 10, 2020

Jacs Martin Srnec

 

Science Advances, 2020, DOI: 10.1126/sciadv.aaz9776
Edyta Tabor, ProfileJiri Dedecek, Kinga Mlekodaj, Zdenek Sobalik, Prokopis C. Andrikopoulos and Stepan Sklenak
Dioxygen dissociation over man-made system at room temperature to form the active α-oxygen for methane oxidation

April 20, 2020

 

Tabor dedecek

 

PHYSICAL REVIEW LETTERS, 2020, DOI: 10.1103/PhysRevLett.124.203401
Cate S. Anstöter, Golda Mensa-Bonsu, Pamir Nag, Miloš Ranković, Ragesh Kumar T. P., Anton N. Boichenko, Anastasia V. Bochenkova, Juraj Fedor, and Jan R. R. Verlet
Mode-Specific Vibrational Autodetachment Following Excitation of Electronic Resonances by Electrons and Photons

May 19, 2020

physical review letters

 

Journal of Chemical Theory and Computation, 2020, DOI: 10.1021/acs.jctc.0c00065
Jakub Lang, Andrej Antalík, Libor Veis, Jan Brandejs, Jiří  Brabec, Örs Legeza, Jiří Pittner
Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)

April 10, 2020

near linear scaling

 

The Journal of Physical Chemistry Letters, 2020, DOI: 10.1021/acs.jpclett.0c00207
Jozef Lengyel, Andriy Pysanenko, Karolína Fárníková, Eva Pluhařová, Michal Fárník
Oxidation Enhances Aerosol Nucleation: Measurement of Kinetic Pickup Probability of Organic Molecules on Hydrated Acid Clusters

February 26,  2020

oxidation enhances

 

Journal of Electroanalytical Chemistry, 2020, DOI: 10.1016/j.jelechem.2020.114066
Milan Sýs, Michaela Obluková, ViliamKolivoška, Romana Sokolová, Lucie Korecká, Tomáš Mikysek
Catalytic properties of variously immobilized mushroom tyrosinase: A kinetic study for future development of biomimetic amperometric biosensors

May 1,  2020

mushroom tyrosinase

 

Electrochimica Acta, 2020, DOI: 10.1016/j.electacta.2020.135975
L.M.Rivera-Gavidia, M.Luis-Sunga, M.Bousa, V.Vales, M.Kalbac, M.C.Arévalo, E.Pastor, G.García
S- and N-doped graphene-based catalysts for the oxygen evolution reaction

April 20, 2020

s and n doped graphene

 

Journal of the American Chemical Society, 2020, DOI: 10.1021/jacs.9b12762
Alexis Gosset, Liam Wilbraham, Štěpánka Nováková Lachmanová, Romana Sokolová, Grégory Dupeyre, Fabien Tuyèras, Philippe Ochsenbein, Christian Perruchot, Henri-Pierre Jacquot de Rouville, Hyacinthe Randriamahazaka, Lubomír Pospíšil, Ilaria Ciofini, Magdaléna Hromadová, Philippe P. Lainé
Electron Storage System Based on a Two-Way Inversion of Redox Potentials 

February 26, 2020 - 142:5162-5176

 

Electron Storage System

 

 

 

 

 

 

 

 

 

 

 

 

Journal of the American Chemical Society, 2020, DOI: 10.1021/jacs.9b12800
Mauricio Maldonado-Domínguez, and Martin Srnec 
Understanding and Predicting Post H-atom Abstraction Selectivity through Reactive Mode Composition Factor Analysis

January 30, 2020

kinetic distribution