Search Results - "Höltzl, Tibor"
-
1
Cinchona‐Based Hydrogen‐Bond Donor Organocatalyst Metal Complexes: Asymmetric Catalysis and Structure Determination
Published in ChemistryOpen (Weinheim) (01-04-2024)“…In this study, we describe the synthesis of cinchona (thio)squaramide and a novel cinchona thiourea organocatalyst. These catalysts were employed in…”
Get full text
Journal Article -
2
Comparison of Cinchona Catalysts Containing Ethyl or Vinyl or Ethynyl Group at Their Quinuclidine Ring
Published in Materials (18-09-2019)“…Numerous cinchona organocatalysts with different substituents at their quinuclidine unit have been described and tested, but the effect of those saturation has…”
Get full text
Journal Article -
3
Multistep CO2 Activation and Dissociation Mechanisms on Pd x Pt4–x Clusters in the Gas Phase
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01-06-2023)“…Palladium, platinum, and their alloys are promising catalysts for electrochemical CO2 reduction reactions (CO2RR), leading to the design of durable and…”
Get full text
Journal Article -
4
Acetylene and Ethylene Adsorption during Floating Fe Catalyst Formation at the Onset of Carbon Nanotube Growth and the Effect of Sulfur Poisoning: a DFT Study
Published in Inorganic chemistry (22-07-2024)“…Here, we investigated the adsorption of acetylene and ethylene on iron clusters and nanoparticles, which is a crucial aspect in the nascent phase of carbon…”
Get full text
Journal Article -
5
Stability and Electronic Structure of Nitrogen-Doped Graphene-Supported Cu n (n = 1–5) Clusters in Vacuum and under Electrochemical Conditions: Toward Sensor and Catalyst Design
Published in Journal of physical chemistry. C (21-03-2024)“…Here, we present a detailed computational study of the stability and the electronic structure of nitrogen-doped graphene (N4V2) supported Cu n (n = 1–5)…”
Get full text
Journal Article -
6
Nanofiber engineering of microporous polyimides through electrospinning: Influence of electrospinning parameters and salt addition
Published in Materials & design (15-01-2021)“…The electrospinning of high-performance polyimides (PI) has recently sparked great interest. In this study, we explore the effect of the electrospinning…”
Get full text
Journal Article -
7
Formation of Phosphaalkyne Trimers: A Mechanistic Study
Published in Organometallics (08-03-2010)“…The geometric and electronic structures of phosphaethyne trimers were studied using density functional theory (B3LYP/cc-pVTZ) as well as CBS-QB3, CCSD(T), and…”
Get full text
Journal Article -
8
Stability and Electronic Structure of Nitrogen-Doped Graphene-Supported Cun (n = 1-5) Clusters in Vacuum and under Electrochemical Conditions: Toward Sensor and Catalyst Design
Published in Journal of physical chemistry. C (21-03-2024)“…Here, we present a detailed computational study of the stability and the electronic structure of nitrogen-doped graphene (N4V2) supported Cun (n = 1-5)…”
Get full text
Journal Article -
9
CO2 and H2 Activation on Zinc‐Doped Copper Clusters
Published in Chemphyschem (02-01-2024)“…Here we systematically investigate the CO2 and H2 activation and dissociation on small CunZn0/+ (n=3–6) clusters using Density Functional Theory. We show that…”
Get full text
Journal Article -
10
Multistep CO 2 Activation and Dissociation Mechanisms on Pd x Pt 4- x Clusters in the Gas Phase
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01-06-2023)“…Palladium, platinum, and their alloys are promising catalysts for electrochemical CO reduction reactions (CO RR), leading to the design of durable and…”
Get full text
Journal Article -
11
Multistep CO2 Activation and Dissociation Mechanisms on PdxPt4-x Clusters in the Gas Phase
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01-06-2023)“…Palladium, platinum, and their alloys are promising catalysts for electrochemical CO 2 reduction reactions (CO 2 RR), leading to the design of durable and…”
Get full text
Journal Article -
12
Membrane-Grafted Asymmetric Organocatalyst for an Integrated Synthesis–Separation Platform
Published in ACS catalysis (03-08-2018)“…In this work we introduce a sustainable membrane-based synthesis–separation platform for enantioselective organocatalysis. An azido derivatized…”
Get full text
Journal Article -
13
Reaction of N2O and CO Catalyzed with Small Copper Clusters: Mechanism and Design
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10-11-2016)“…Highly active catalytic clusters are observed during the reaction mechanism study of the copper cluster Cu x (x = 4–15) catalyzed N2O + CO → N2 + CO2 reaction…”
Get full text
Journal Article -
14
Thermal Stability and Flexibility of Hydrogen Terminated Phosphorene Nanoflakes
Published in Journal of physical chemistry. C (19-04-2018)“…Phosphorene nanoflakes are emerging candidates of black phosphorus nanostructures due to their unique, tunable properties like size-dependent band gap,…”
Get full text
Journal Article -
15
The effect of size, charge state and composition on the binding of propene to yttrium-doped gold clusters
Published in RSC advances (01-09-2021)“…The catalytic activity of metal clusters can be easily tuned by their size, charge state, or the introduction of dopant atoms. Here, the dopant-, charge- and…”
Get full text
Journal Article -
16
Non‐covalent Interactions and Charge Transfer between Propene and Neutral Yttrium‐Doped and Pure Gold Clusters
Published in Chemistry : a European journal (10-12-2019)“…The dopant and size‐dependent propene adsorption on neutral gold (Aun) and yttrium‐doped gold (Aun−1Y) clusters in the n=5–15 size range are investigated,…”
Get full text
Journal Article -
17
Observation of the Reaction Intermediates of Methanol Dehydrogenation by Cationic Vanadium Clusters
Published in Angewandte Chemie International Edition (23-02-2021)“…A mass spectrometric study of the reactions of vanadium cationic clusters with methanol in a low‐pressure collision cell is reported. For comparison, the…”
Get full text
Journal Article -
18
CO 2 and H 2 Activation on Zinc-Doped Copper Clusters
Published in Chemphyschem (02-01-2024)“…Here we systematically investigate the CO and H activation and dissociation on small Cu Zn (n=3-6) clusters using Density Functional Theory. We show that Cu Zn…”
Get full text
Journal Article -
19
Architecting neonicotinoid-scavenging nanocomposite hydrogels for environmental remediation
Published in Applied materials today (01-12-2020)“…•Removal of neonicotinoids from aqueous solutions, including groundwater, down to 0.1 µg L–1.•Robust cellulose acetate-based hydrogels were prepared in Cyrene…”
Get full text
Journal Article -
20
Enhanced Methanol Electro‐Oxidation Activity of Nanoclustered Gold
Published in Small (Weinheim an der Bergstrasse, Germany) (01-07-2021)“…Size‐selected 3 nm gas‐phase Au clusters dispersed by cluster beam deposition (CBD) on a conducting fluorine‐doped tin oxide template show strong enhancement…”
Get full text
Journal Article