Themed collection Size effects in chemistry & physics of atomic & molecular clusters, nanoparticles & nanostructures

44 items
Open Access Perspective

An experimental perspective on nanoparticle electrochemistry

While model studies with small nanoparticles offer a bridge between applied experiments and theoretical calculations, the intricacies of working with well-defined nanoparticles in electrochemistry pose challenges for experimental researchers.

Graphical abstract: An experimental perspective on nanoparticle electrochemistry
From the themed collection: 2024 PCCP Reviews
Open Access Communication

A chiral metal cluster triggers enantiospecific electronic transport

This work theoretically predicts the existence of enantiospecific electronic transport in chiral-modified molecular junctions.

Graphical abstract: A chiral metal cluster triggers enantiospecific electronic transport
Paper

Unprecedented selectivity behavior in the direct dehydrogenation of n-butane to n-butenes with similar active Pt nanoparticle size: unveiling structural and electronic characteristics of supported monometallic catalysts

In this work, supported Pt monometallic catalysts were prepared using oxide and carbon supports by conventional impregnation methods.

Graphical abstract: Unprecedented selectivity behavior in the direct dehydrogenation of n-butane to n-butenes with similar active Pt nanoparticle size: unveiling structural and electronic characteristics of supported monometallic catalysts
Open Access Paper

Metal–ligand bond in group-11 complexes and nanoclusters

Density functional theory is used to study geometric, energetic, and electronic properties of metal–ligand bonds in a series of group-11 metal complexes and ligand-protected metal clusters.

Graphical abstract: Metal–ligand bond in group-11 complexes and nanoclusters
Open Access Paper

Coalescence of AuPd nanoalloys in implicit environments

The optimal design of nanoparticles and nanoalloys arises from the control of their morphology which depends on the synthesis process they undergo.

Graphical abstract: Coalescence of AuPd nanoalloys in implicit environments
Paper

Probing microhydration-induced effects on carbonyl compounds

Characterizing the microhydration of organic molecules is a crucial step in understanding many phenomena relevant to atmospheric, biological, and industrial applications.

Graphical abstract: Probing microhydration-induced effects on carbonyl compounds
Paper

Analysis of the piezo- and pyroelectric response of PVDF foils as fast particle detectors in pulsed supersonic jets

We report on a new, general-purpose particle detector consisting of a stretched foil of PVDF for use in pulsed supersonic jet experiments. The detector signal is analyzed in detail, allowing to exploit both the piezo- and the pyroelectric effects.

Graphical abstract: Analysis of the piezo- and pyroelectric response of PVDF foils as fast particle detectors in pulsed supersonic jets
Open Access Paper

Spectroscopic investigation of size-dependent CO2 binding on cationic copper clusters: analysis of the CO2 asymmetric stretch

The asymmetric stretch vibration of CO2 on different Cun+ cluster sizes, with n = 1–10, is spectroscopically investigated. The strongest binding is found with Cu+, decreasing with cluster size, as reflected in the vibration frequency shift.

Graphical abstract: Spectroscopic investigation of size-dependent CO2 binding on cationic copper clusters: analysis of the CO2 asymmetric stretch
Paper

The interaction of size-selected Ru3 clusters with TiO2: depth-profiling of encapsulated clusters

Ru metal clusters can get encapsulated into TiO2 upon heat treatment or cluster source deposition.

Graphical abstract: The interaction of size-selected Ru3 clusters with TiO2: depth-profiling of encapsulated clusters
Open Access Paper

Combined experimental and computational study of the photoabsorption of the monodoped and nondoped nanoclusters Au24Pt(SR)18, Ag24Pt(SR)18, and Ag25(SR)18

The photoabsorption spectra of a set of monolayer-protected clusters and nanoalloys have been obtained at low temperature and compared with accurate TDDFT calculations. An excellent match between theory and experiment was obtained.

Graphical abstract: Combined experimental and computational study of the photoabsorption of the monodoped and nondoped nanoclusters Au24Pt(SR)18, Ag24Pt(SR)18, and Ag25(SR)18
Paper

Microhydration of small protonated polyaromatic hydrocarbons: a first principles study

Using first principles methodology, we investigate the microsolvation of protonated benzene (BzH+), protonated coronene (CorH+) and protonated dodecabenzocoronene (DbcH+).

Graphical abstract: Microhydration of small protonated polyaromatic hydrocarbons: a first principles study
Open Access Paper

Out-of-focus spatial map imaging of magnetically deflected sodium ammonia clusters

This paper introduces out-of-focus spatial map imaging (SMI) as a detection method for magnetic deflection of molecular/cluster beams, using Nam(NH3)n to illustrate its capabilities.

Graphical abstract: Out-of-focus spatial map imaging of magnetically deflected sodium ammonia clusters
Open Access Paper

Localized surface plasmon resonances of size-selected large silver nanoclusters (n = 70–100) soft-landed on a C60 organic substrate

2PPE spectroscopy for plasmonic response reveals the deformation to flattened geometries of Agn nanoclusters on C60 above n = 55.

Graphical abstract: Localized surface plasmon resonances of size-selected large silver nanoclusters (n = 70–100) soft-landed on a C60 organic substrate
Open Access Paper

Infrared spectra and fragmentation dynamics of isotopologue-selective mixed-ligand complexes

Isotopologue substitution reveals fine structural details in isolated mixed-ligand ion-molecule complexes and allows further exploration of unusual fragmentation dynamics.

Graphical abstract: Infrared spectra and fragmentation dynamics of isotopologue-selective mixed-ligand complexes
Open Access Paper

Separation of CO2/CH4 gas mixtures using nanoporous graphdiyne and boron-graphdiyne membranes: influence of the pore size

Pore and molecular sizes determine the permeability and selectivity for gas mixture separation. Therefore, GDY exhibits great selectivity for CO2/CH4 mixtures.

Graphical abstract: Separation of CO2/CH4 gas mixtures using nanoporous graphdiyne and boron-graphdiyne membranes: influence of the pore size
Open Access Paper

O2 activation by subnanometer Re–Pt clusters supported on TiO2(110): exploring adsorption sites

Activation of O2 by subnanometer metal clusters is a fundamental step in the reactivity and oxidation processes of single-cluster catalysts.

Graphical abstract: O2 activation by subnanometer Re–Pt clusters supported on TiO2(110): exploring adsorption sites
Paper

Size and shape effects on chemical ordering in Ni–Pt nanoalloys

Chemical ordering is studied in the core and facets of simulated Ni–Pt nanoalloys, with chemical ordering frustrations. Pt surface segregation is enhanced with temperature, and more pronounced in the icosahedral shape compared to truncated octahedral nanoparticles.

Graphical abstract: Size and shape effects on chemical ordering in Ni–Pt nanoalloys
From the themed collection: 2024 PCCP HOT Articles
Open Access Paper

A molecular beam study of CO oxidation on Pd clusters supported on alumina: the effect of cluster size

The TOF for CO oxidation on Pd clusters on alumina thin films, with a sharp size distribution, is measured as a function of the mean cluster size N (5 to 180 atoms). The TOF increases with N and tends towards the value on Pd single crystals.

Graphical abstract: A molecular beam study of CO oxidation on Pd clusters supported on alumina: the effect of cluster size
Paper

Direct reduction of NO into N2 catalyzed by fullerene-supported rhodium clusters

C60-fullerene-supported rhodium clusters can efficiently catalyze the direct reduction of NO into N2 and O2.

Graphical abstract: Direct reduction of NO into N2 catalyzed by fullerene-supported rhodium clusters
Open Access Paper

Reaction of size-selected iron-oxide cluster cations with methane: a model study of rapid methane loss in Mars’ atmosphere

The rapid loss of methane in Mars’ atmosphere observed recently by the Curiosity rover can be due to dehydrogenation by iron-oxide clusters/particles.

Graphical abstract: Reaction of size-selected iron-oxide cluster cations with methane: a model study of rapid methane loss in Mars’ atmosphere
Paper

Size-dependent reactivity of VnO+ (n = 1–9) clusters with ethane

The addition of ligand O affects the charge distribution of the metal centers in VnO+ (n = 1−9) cluster cations, resulting in a significant increase in the cluster reactivity. The agostic interaction determines the size-dependent reactivity of VnO+ cluster cations. This study provides a novel approach for improving the reactivity of early 3d transition metals.

Graphical abstract: Size-dependent reactivity of VnO+ (n = 1–9) clusters with ethane
From the themed collection: 2024 PCCP HOT Articles
Open Access Paper

Same size, same support, same spectator? Selective acetylene hydrogenation on supported Pd nanoparticles

The selective hydrogenation of acetylene catalyzed by Pd nanoparticles is used in industry to increase the purity of ethylene. To enhance the reaction, the influence of different substrates, i.e. Pt(111) and Mo(211), for use with Pd supported on a-SiO2 thin films, was investigated.

Graphical abstract: Same size, same support, same spectator? Selective acetylene hydrogenation on supported Pd nanoparticles
Open Access Paper

Size limits and fission channels of doubly charged noble gas clusters

Sequential ionization of helium nanodroplets doped with noble gases produces doubly charged clusters that are much smaller than observed previously.

Graphical abstract: Size limits and fission channels of doubly charged noble gas clusters
Paper

Magnetism of single-doped paramagnetic tin clusters studied using temperature-dependent Stern–Gerlach experiments with enhanced sensitivity: impact of the diamagnetic ligand field and paramagnetic dopant

Arachno-type geometries have been validated for Sn14TM (with TM = Cr, Mn, Fe) by cryogenic electric beam deflection. Variable temperature Stern–Gerlach experiments reveal that Sn14Cr is a singlet, Sn14Mn a doublet and Sn14Fe most probably a triplet.

Graphical abstract: Magnetism of single-doped paramagnetic tin clusters studied using temperature-dependent Stern–Gerlach experiments with enhanced sensitivity: impact of the diamagnetic ligand field and paramagnetic dopant
From the themed collection: 2024 PCCP HOT Articles
Paper

Development of Pd/In2O3 hybrid nanoclusters to optimize ethanol vapor sensing

This study introduces a novel approach to synthesizing Pd/In2O3 hybrid nanoclusters, showcasing remarkable sensitivity, stability, and selectivity for detecting low concentrations of ethanol vapor, achieving a detection limit as low as 24 ppb.

Graphical abstract: Development of Pd/In2O3 hybrid nanoclusters to optimize ethanol vapor sensing
Open Access Paper

Size-dependent reactivity of Rh cationic clusters to reduce NO by CO in the gas phase at high temperatures

The reactivity of the reduction of NO pre-adsorbed on Rh2–9+ clusters by CO was investigated using an alternate on–off gas injection method, thermal desorption spectrometry, and quantum chemical calculations.

Graphical abstract: Size-dependent reactivity of Rh cationic clusters to reduce NO by CO in the gas phase at high temperatures
Open Access Paper

Searching for stable copper borozene complexes in CuB7 and CuB8

We report the experimental observation and spectroscopic characterization, and structure and bonding analyses of copper–borozene complexes.

Graphical abstract: Searching for stable copper borozene complexes in CuB7− and CuB8−
From the themed collection: 2024 PCCP HOT Articles
Paper

Gas-phase electronic spectra of HC2n+1H+ (n = 2–6) chains

Electronic spectra are measured for cryogenically cooled HC2n+1H+ chains containing between 5 and 13 carbon atoms.

Graphical abstract: Gas-phase electronic spectra of HC2n+1H+ (n = 2–6) chains
From the themed collection: 2024 PCCP HOT Articles
Open Access Paper

Intra-host π–π interactions in crown ether complexes revealed by cryogenic ion mobility-mass spectrometry

Conformations of dinaphtho-24-crown-8 complexes were investigated by cryogenic ion mobility-mass spectrometry. The closed conformers with short naphthalene–naphthalene distances were highly stabilized by intra-host π–π interaction.

Graphical abstract: Intra-host π–π interactions in crown ether complexes revealed by cryogenic ion mobility-mass spectrometry
Paper

A rotational spectroscopy study of microsolvation effects on intramolecular proton transfer in trifluoroacetylacetone–(H2O)1–3

A rotational spectroscopy study of the trifluoroacetylacetone–(H2O)1–3 clusters shows that water facilitates the proton transfer reaction without direct participation in the process.

Graphical abstract: A rotational spectroscopy study of microsolvation effects on intramolecular proton transfer in trifluoroacetylacetone–(H2O)1–3
Paper

Evolution of the atomic and electronic structures of CuO clusters: a comprehensive study using the DFT approach

Ground state of CuO clusters (n = 1–7) are planar nano-ring structure while octamer onwards non-planar stacked structures are observed. Nonamer and dodecamer assumes nano-barrel structure upon stacking nano-ring in staggered fashion.

Graphical abstract: Evolution of the atomic and electronic structures of CuO clusters: a comprehensive study using the DFT approach
Paper

Shell thickness-induced thermal dependence: highly sensitive core–shell CdSe/ZnS/POSS-based temperature probes

Fluorescence nanothermometry based on quantum dots is a current research hotspot for novel non-contact temperature monitoring, and is of vital significance for the modulation and design of the sensing properties of sensors.

Graphical abstract: Shell thickness-induced thermal dependence: highly sensitive core–shell CdSe/ZnS/POSS-based temperature probes
Open Access Paper

IR spectroscopic characterization of [M,C,2H]+ (M = Ru and Rh) products formed by reacting 4d transition metal cations with oxirane: Spectroscopic evidence for multireference character in RhCH2+

A combination of infrared multiple-photon dissociation (IRMPD) action spectroscopy and quantum chemical calculations was employed to investigate the [M,C,2H]+ (M = Ru and Rh) species.

Graphical abstract: IR spectroscopic characterization of [M,C,2H]+ (M = Ru and Rh) products formed by reacting 4d transition metal cations with oxirane: Spectroscopic evidence for multireference character in RhCH2+
From the themed collection: 2024 PCCP HOT Articles
Paper

Interband electronic transitions and optical phonon modes in size-dependent multiferroic BiFeO3 nanoparticles

Bismuth ferrite (BiFeO3) multiferroic nanoparticles are synthesized using a low-temperature sol–gel auto-combustion technique.

Graphical abstract: Interband electronic transitions and optical phonon modes in size-dependent multiferroic BiFeO3 nanoparticles
Open Access Paper

Stable mass-selected AuTiOx nanoparticles for CO oxidation

AuTiOx nanoparticles with a core–shell structure on TiO2 show improved stability for CO oxidation compared to pure Au nanoparticles.

Graphical abstract: Stable mass-selected AuTiOx nanoparticles for CO oxidation
From the themed collection: 2024 PCCP HOT Articles
Open Access Paper

Infrared spectra of SinH4n−1+ ions (n = 2–8): inorganic H–(Si–H)n−1 hydride wires of penta-coordinated Si in 3c–2e and charge-inverted hydrogen bonds

SinH4n−1+ cations have linear H–(Si–H)n silicon hydride wires with adjacent Si–H–Si 3c–2e bonds delocalized along the whole wire in supersaturated hydrosilane ions featuring several 5-coordinated Si atoms and charge-inverted hydrogen bonds.

Graphical abstract: Infrared spectra of SinH4n−1+ ions (n = 2–8): inorganic H–(Si–H)n−1 hydride wires of penta-coordinated Si in 3c–2e and charge-inverted hydrogen bonds
From the themed collection: 2024 PCCP HOT Articles
Open Access Paper

Vibrational wave-packet dynamics of the silver pentamer probed by femtosecond NeNePo spectroscopy

Nuclear wave-packet dynamics for neutral Ag5 are studied using femtosecond pump–probe spectroscopy using NeNePo scheme confirming a planar trapezoidal gas-phase geometry of neutral Ag5 in the absence of perturbations.

Graphical abstract: Vibrational wave-packet dynamics of the silver pentamer probed by femtosecond NeNePo spectroscopy
From the themed collection: 2024 PCCP HOT Articles
Open Access Paper

Direct spectroscopic evidence for the high-spin state of dioxidomanganese(V)

The spin state of metal centers in catalytic reactions can be rate limiting when high-valent metals such as manganese are involved. Here, we demonstrate dioxidomanganese(V) to be only the second manganese(V) compound to exhibit a high spin state.

Graphical abstract: Direct spectroscopic evidence for the high-spin state of dioxidomanganese(v)
From the themed collection: 2024 PCCP HOT Articles
Open Access Paper

Spectroscopic characterization of carbon monoxide activation by neutral chromium carbides

A size-specific infrared-vacuum ultraviolet spectroscopic study of the reactions between carbon monoxide with chromium carbides reveals a semi-bridging CO, which is highly activated through the Cr–C–C three-center two-electron interaction.

Graphical abstract: Spectroscopic characterization of carbon monoxide activation by neutral chromium carbides
Paper

Revisiting ultrasmall phosphine-stabilized rhodium-doped gold clusters AunRh (n = 5, 6, 7, 8): geometric, electronic, and vibrational properties

The Rh-doped gold clusters are fragments of a Rh-centred icosahedron. Calculated orbital energies are consistent with the observed colour of each cluster. Vibrational motions of core metal atoms are much smaller than for the pure gold counterparts.

Graphical abstract: Revisiting ultrasmall phosphine-stabilized rhodium-doped gold clusters AunRh (n = 5, 6, 7, 8): geometric, electronic, and vibrational properties
Paper

Boron-rich hybrid BCN nanoribbons for highly ambient uptake of H2S, HF, NH3, CO, CO2 toxic gases

Nanomaterials-based gas sensors are widely applied for the monitoring and fast detection of hazardous gases owing to their sensitivity and selectivity.

Graphical abstract: Boron-rich hybrid BCN nanoribbons for highly ambient uptake of H2S, HF, NH3, CO, CO2 toxic gases
Paper

Structural and electronic changes in the Ni13@Ag42 nanoparticle under surface oxidation: the role of silver coating

Icosahedral Ni13@Ag42 is a stable nanoparticle formed by a magnetic nickel core surrounded by a silver coating that provides physical protection to the 3d metal cluster as well as antibacterial properties.

Graphical abstract: Structural and electronic changes in the Ni13@Ag42 nanoparticle under surface oxidation: the role of silver coating
Open Access Paper

Energy landscape of perylenediimide chromophoric aggregates

Energy decomposition analysis unravels the competition between the attractive and repulsive non-covalent interactions modulating the stability of perylenediimide aggregate systems, tracing the energy landscape.

Graphical abstract: Energy landscape of perylenediimide chromophoric aggregates
Open Access Paper

Cluster size dependent coordination of formate to free manganese oxide clusters

Manganese oxide clusters deprotonate the hydroxyl group of formic acid yielding a strongly cluster size dependent binding motif of the formate group.

Graphical abstract: Cluster size dependent coordination of formate to free manganese oxide clusters
44 items

About this collection

This themed collection is organised on the occasion of the International Symposium on Small Particles and Inorganic Clusters – ISSPIC XXI taking place from 3rd-8th September 2023 in Berlin, Germany. The ISSPIC conference series is devoted to communicating the progress in experimental and theoretical studies of materials at the nano and sub-nano scale.

The collection focusses on the following areas: structure and thermodynamics of clusters, nanoparticles and nanostructures; electronic structure and quantum effects; spectroscopy and dynamics; cluster reactivity; single and few atom cluster catalysis; correlated electrons: magnetism, superconductivity; optical properties and plasmonics; 2D-materials, carbon-based nanomaterials, nanodiamonds; biotechnological and medical applications; environmental science; devices and applications, and energy-related topics.

Guest editors: André Fielicke (Fritz-Haber-Institut der Max-Planck-Gesellschaft ), Sandra Lang (University of Ulm), Thorsten M. Bernhardt (University of Ulm)

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