2023

Nitrogen-phosphorus codoped carbon nanotube sponges for detecting volatile organic compounds: experimental and DFT calculations

All-inorganic halide perovskite CsPbBr(3): a DFT study of a self-powered formaldehyde sensor

Comparative study on formic acid sensing properties of flame-made Zn(2)SnO(4) nanoparticles and its parent metal oxides

The reaction of organic peroxy radicals with unsaturated compounds controlled by a non-epoxide pathway under atmospheric conditions

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

Tunnel junction sensing of TATP explosive at the single-molecule level

2022

Absolute determination of chemical kinetic rate constants by optical tracking the reaction on the second timescale using cavity-enhanced absorption spectroscopy

Selectivity of volatile organic compounds on the surface of zinc oxide nanosheets for gas sensors

Liquid-like properties of cyclopentadienyl complexes of barium: molecular dynamics simulations of nanoscale droplets

Efficient degradation of VOCs using semi-coke activated carbon loaded ternary Z-scheme heterojunction photocatalyst BiVO(4)-BiPO(4)-g-C(3)N(4) under visible light irradiation

A Cr(2)O(3)-doped graphene sensor for early diagnosis of liver cirrhosis: a first-principles study

Decomposition of multifunctionalized alpha-alkoxyalkyl-hydroperoxides derived from the reactions of Criegee intermediates with diols in liquid phases

2021

Interaction topologies of the SO chalcogen bond: the conformational equilibrium of the cyclohexanolSO(2) cluster

Intramolecular CH(3)-migration-controlled cation reactions in the VUV photochemistry of 2-methyl-3-buten-2-ol investigated by synchrotron photoionization mass spectrometry and theoretical calculations

Molecular perspective on charge-tunable adsorption of volatile organic compounds on carbon nanotubes

A structure activity relationship for ring closure reactions in unsaturated alkylperoxy radicals

Aqueous-phase fates of alpha-alkoxyalkyl-hydroperoxides derived from the reactions of Criegee intermediates with alcohols

On the chirality-dependent adsorption behavior of volatile organic compounds on carbon nanotubes

'Vitruvian' precursor for gas phase deposition: structural insights into iridium beta-diketonate volatilities

2020

Temperature- and pressure-dependent rate coefficient measurement for the reaction of CH(2)OO with CH(3)CH(2)CHO

Quantifying soft degrees of freedom in volatile organic compounds: insight from quantum chemistry and focused single molecule experiments

2019

"Characterization of the simplest hydroperoxide ester, hydroperoxymethyl formate, a precursor of atmospheric aerosols"

Vapour permeation measurements with free-standing nanomembranes

Molecular simulations for the spectroscopic detection of atmospheric gases

Towards reliable ab initio sublimation pressures for organic molecular crystals - are we there yet?

2018

Influence of humidity and iron(iii) on photodegradation of atmospheric secondary organic aerosol particles

Identification of the maze in the conformational landscape of fenchol

Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implications

The photolysis of alpha-hydroperoxycarbonyls

Competition kinetics of OH radical reactions with oxygenated organic compounds in aqueous solution: rate constants and internal optical absorption effects

Size exclusion effect in binary inclusion compounds of alpha-cyclodextrin

Poly(vinylidene fluoride)/poly(3-methylthiophene) core-shell nanocomposites with improved structural and electronic properties of the conducting polymer component

Controlling factors of oligomerization at the water surface: why is isoprene such a unique VOC?

Direct kinetics study of CH(2)OO + methyl vinyl ketone and CH(2)OO + methacrolein reactions and an upper limit determination for CH(2)OO + CO reaction

Defects in orthorhombic LaMnO(3) - ionic versus electronic compensation

2017

Mechanistic insight into selective catalytic combustion of HCN over Cu-BEA: influence of different active center structures

Positron insight into evolution of pore volume and penetration of the polymer network by n-heptane molecules in mesoporous XAD4

"Ion chemistry at elevated ion-molecule interaction energies in a selected ion flow-drift tube: reactions of H(3)O(+), NO(+) and O(2)(+) with saturated aliphatic ketones"

Direct experimental probing and theoretical analysis of the reaction between the simplest Criegee intermediate CH(2)OO and isoprene

Efficient scavenging of Criegee intermediates on water by surface-active cis-pinonic acid

"OH production from the photolysis of isoprene-derived peroxy radicals: cross-sections, quantum yields and atmospheric implications"

"Exploring the chemical kinetics of partially oxidized intermediates by combining experiments, theory, and kinetic modeling"

Characterising the evaporation kinetics of water and semi-volatile organic compounds from viscous multicomponent organic aerosol particles

Computational study of the DPAP molecular rotor in various environments: from force field development to molecular dynamics simulations and spectroscopic calculations

2016

Ionic liquids as modulators of physicochemical properties and nanostructures of sodium dodecyl sulfate in aqueous solutions and potential application in pesticide microemulsions

Photodissociation dynamics of dinitrite at 355 nm: initiation of a reactive pathway

"The atmospheric oxidation of dimethyl, diethyl, and diisopropyl ethers. The role of the intramolecular hydrogen shift in peroxy radicals"

Phase transitions in hydrophobe/phospholipid mixtures: hints at connections between pheromones and anaesthetic activity

Adsorption dynamics and rate assessment of volatile organic compounds in active carbon

2015

On the performance of FAU and MFI zeolites for the adsorptive removal of a series of volatile organic compounds from air using molecular simulation

A visual and organic vapor sensitive photonic crystal sensor consisting of polymer-infiltrated SiO2 inverse opal

Synergistic effects of Ir-Au/TiO(2) catalysts in the total oxidation of propene: influence of the activation conditions

"Interaction of L-alanyl-L-valine and L-valyl-L-alanine with organic vapors: thermal stability of clathrates, sorption capacity and the change in the morphology of dipeptide films"

2014

A new approach to determine vapour pressures and hygroscopicities of aqueous aerosols containing semi-volatile organic compounds

The mechanism of selective molecular capture in carbon nanotube networks

New insights into secondary organic aerosol from the ozonolysis of alpha-pinene from combined infrared spectroscopy and mass spectrometry measurements

Unimolecular reaction chemistry of a charge-tagged beta-hydroxyperoxyl radical

2013

Experimental determination of chemical diffusion within secondary organic aerosol particles

Complex organic molecules are released during thermal reduction of graphite oxides

Heterogeneous OH oxidation of biomass burning organic aerosol surrogate compounds: assessment of volatilisation products and the role of OH concentration on the reactive uptake kinetics

2012

"Interaction of acetone, hydroxyacetone, acetaldehyde and benzaldehyde with the surface of water ice and HNO3.3H2O ice"

Profiling an electrospray plume by laser-induced fluorescence and Fraunhofer diffraction combined to mass spectrometry: influence of size and composition of droplets on charge-state distributions of electrosprayed proteins

The effect of humidity on the ozonolysis of unsaturated compounds in aerosol particles

Atmospheric hydrocarbon activation by the hydroxyl radical: a simple yet accurate computational protocol for calculating rate coefficients

2011

Structure-activity relationship (SAR) for the prediction of gas-phase ozonolysis rate coefficients: an extension towards heteroatomic unsaturated species

DRIFTS studies on the photosensitized transformation of gallic acid by iron(III) chloride as a model for HULIS in atmospheric aerosols

Total radical yields from tropospheric ethene ozonolysis

2010

Observation of a large negative temperature dependence for rate coefficients of reactions of OH with oxygenated volatile organic compounds studied at 86-112 K

Computational and experimental study of the interactions between ionic liquids and volatile organic compounds

Hydroxyl radical regeneration in the photochemical oxidation of glyoxal: kinetics and mechanism of the HC(O)CO + O(2) reaction

2009

Decomposition of substituted alkoxy radicals--part I: a generalized structure-activity relationship for reaction barrier heights

"Kinetics of the heterogeneous conversion of 1,4-hydroxycarbonyls to cyclic hemiacetals and dihydrofurans on organic aerosol particles"

Laboratory chamber studies on the formation of organosulfates from reactive uptake of monoterpene oxides

2007

Secondary organic aerosol from limona ketone: insights into terpene ozonolysis via synthesis of key intermediates

2006

"Gas-phase reactions of NO3 and N2O5 with (Z)-hex-4-en-1-ol, (Z)-hex-3-en-1-ol ('leaf alcohol'), (E)-hex-3-en-1-ol, (Z)-hex-2-en-1-ol and (E)-hex-2-en-1-ol"

Analysis of chemical kinetics at the gas-aqueous interface for submicron aerosols

2005

A computational study of the atmospheric oxidation of nopinone