journal
MENU ▼
Read by QxMD icon Read
search

Journal of Physical Chemistry. C, Nanomaterials and Interfaces

journal
https://www.readbyqxmd.com/read/28798858/generation-of-subsurface-voids-incubation-effect-and-formation-of-nanoparticles-in-short-pulse-laser-interactions-with-bulk-metal-targets-in-liquid-molecular-dynamics-study
#1
Cheng-Yu Shih, Maxim V Shugaev, Chengping Wu, Leonid V Zhigilei
The ability of short pulse laser ablation in liquids to produce clean colloidal nanoparticles and unusual surface morphology has been employed in a broad range of practical applications. In this paper, we report the results of large-scale molecular dynamics simulations aimed at revealing the key processes that control the surface morphology and nanoparticle size distributions by pulsed laser ablation in liquids. The simulations of bulk Ag targets irradiated in water are performed with an advanced computational model combining a coarse-grained representation of liquid environment and an atomistic description of laser interaction with metal targets...
August 3, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28751927/an-nmr-crystallographic-investigation-of-the-relationships-between-the-crystal-structure-and-29-si-isotropic-chemical-shift-in-silica-zeolites
#2
Daniel M Dawson, Robert F Moran, Sharon E Ashbrook
NMR crystallography has recently been applied to great effect for silica zeolites. Here we investigate whether it is possible to extend the structural information available from routine NMR spectra via a simple structure-spectrum relationship. Unlike previous empirically derived relationships that have compared experimental crystal structures for (often disordered) silicates with experimental NMR spectra, where the structure may not be an accurate representation of the material studied experimentally, we use NMR parameters calculated by density functional theory (DFT) for both model Si(OSi(OH)3)4 clusters and also extended zeolitic SiO2 frameworks, for which the input structure corresponding to the NMR parameters is known exactly...
July 20, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28751926/origin-of-the-strong-interaction-between-polar-molecules-and-copper-ii-paddle-wheels-in-metal-organic-frameworks
#3
Daniele Ongari, Davide Tiana, Samuel J Stoneburner, Laura Gagliardi, Berend Smit
The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper-CO2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate)2 and dicopper Cu2(formate)4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO2, even including corrections for the dispersion forces...
July 20, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28729893/mechanically-and-electrically-robust-self-assembled-monolayers-for-large-area-tunneling-junctions
#4
Yanxi Zhang, Xinkai Qiu, Pavlo Gordiichuk, Saurabh Soni, Theodorus L Krijger, Andreas Herrmann, Ryan C Chiechi
This paper examines the relationship between mechanical deformation and the electronic properties of self-assembled monolayers (SAMs) of the oligothiophene 4-([2,2':5',2″:5″,2‴-quaterthiophen]-5-yl)butane-1-thiol (T4C4) in tunneling junctions using conductive probe atomic force microscopy (CP-AFM) and eutectic Ga-In (EGaIn). We compared shifts in conductivity, transition voltages of T4C4 with increasing AFM tip loading force to alkanethiolates. While these shifts result from an increasing tilt angle from penetration of the SAM by the AFM tip for the latter, we ascribe them to distortions of the π system present in T4C4, which is more mechanically robust than alkanethiolates of comparable length; SAMs comprising T4C4 shows about five times higher Young's modulus than alkanethiolates...
July 13, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28729892/reversible-charge-trapping-in-bis-carbazole-diimide-redox-polymers-with-complete-luminescence-quenching-enabling-nondestructive-read-out-by-resonance-raman-spectroscopy
#5
Luuk Kortekaas, Federico Lancia, Jorn D Steen, Wesley R Browne
The coupling of substituted carbazole compounds through carbon-carbon bond formation upon one-electron oxidation is shown to be a highly versatile approach to the formation of redox polymer films. Although the polymerization of single carbazole units has been proposed earlier, we show that by tethering pairs of carbazoles double sequential dimerization allows for facile formation of redox polymer films with fine control over film thickness. We show that the design of the monomers and in particular the bridging units is key to polymer formation, with the diaminobenzene motif proving advantageous, in terms of the matching to the redox potentials of the monomer and polymer film and thereby avoiding limitations in film thickness (autoinsulation), but introduces unacceptable instability due to the intrinsic redox activity of this moiety...
July 13, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28729891/vibrational-excitation-of-h2-scattering-from-cu-111-effects-of-surface-temperature-and-of-allowing-energy-exchange-with-the-surface
#6
Geert-Jan Kroes, J I Juaristi, M Alducin
In scattering of H2 from Cu(111), vibrational excitation has so far defied an accurate theoretical description. To expose the causes of the large discrepancies with experiment, we investigate how the feature due to vibrational excitation (the "gain peak") in the simulated time-of-flight spectrum of (v = 1, j = 3) H2 scattering from Cu(111) depends on the surface temperature (Ts) and the possibility of energy exchange with surface phonons and electron-hole pairs (ehp's). Quasi-classical dynamics calculations are performed on the basis of accurate semiempirical density functionals for the interaction with H2 + Cu(111)...
June 29, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28804530/evolution-of-reduced-graphene-oxide-sns2-hybrid-nanoparticle-electrodes-in-li-ion-batteries
#7
Mohammad H Modarres, Jonathan Hua-Wei Lim, Chandramohan George, Michael De Volder
Hybrid nanomaterials where active battery nanoparticles are synthesized directly onto conductive additives such as graphene hold the promise of improving the cyclability and energy density of conversion and alloying type Li-ion battery electrodes. Here we investigate the evolution of hybrid reduced graphene oxide-tin sulfide (rGO-SnS2) electrodes during battery cycling. These hybrid nanoparticles are synthesized by a one-step solvothermal microwave reaction which allows for simultaneous synthesis of the SnS2 nanocrystals and reduction of GO...
June 22, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28663772/proton-environments-in-biomimetic-calcium-phosphates-formed-from-mesoporous-bioactive-cao-sio2-p2o5-glasses-in-vitro-insights-from-solid-state-nmr
#8
Renny Mathew, Claudia Turdean-Ionescu, Yang Yu, Baltzar Stevensson, Isabel Izquierdo-Barba, Ana García, Daniel Arcos, María Vallet-Regí, Mattias Edén
When exposed to body fluids, mesoporous bioactive glasses (MBGs) of the CaO-SiO2-P2O5 system develop a bone-bonding surface layer that initially consists of amorphous calcium phosphate (ACP), which transforms into hydroxy-carbonate apatite (HCA) with a very similar composition as bone/dentin mineral. Information from various (1)H-based solid-state nuclear magnetic resonance (NMR) experiments was combined to elucidate the evolution of the proton speciations both at the MBG surface and within each ACP/HCA constituent of the biomimetic phosphate layer formed when each of three MBGs with distinct Ca, Si, and P contents was immersed in a simulated body fluid (SBF) for variable periods between 15 min and 30 days...
June 22, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28620448/influence-of-film-and-substrate-structure-on-photoelectron-momentum-maps-of-coronene-thin-films-on-ag-111
#9
Christian Udhardt, Felix Otto, Christian Kern, Daniel Lüftner, Tobias Huempfner, Tino Kirchhuebel, Falko Sojka, Matthias Meissner, Bernd Schröter, Roman Forker, Peter Puschnig, Torsten Fritz
Angle-resolved ultraviolet photoelectron spectroscopy (ARUPS) was measured for one-monolayer coronene films deposited on Ag(111). The (kx ,ky )-dependent photoelectron momentum maps (PMMs), which were extracted from the ARUPS data by cuts at fixed binding energies, show finely structured patterns for the highest and the second-highest occupied molecular orbitals. While the substructure of the PMM main features is related to the 4 × 4 commensurate film structure, various features with three-fold symmetry imply an additional influence of the substrate...
June 8, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28620447/photoelectrochemistry-by-design-tailoring-the-nanoscale-structure-of-pt-nio-composites-leads-to-enhanced-photoelectrochemical-hydrogen-evolution-performance
#10
András Sápi, András Varga, Gergely F Samu, Dorina Dobó, Koppány L Juhász, Bettina Takács, Erika Varga, Ákos Kukovecz, Zoltán Kónya, Csaba Janáky
Photoelectrochemical hydrogen evolution is a promising avenue to store the energy of sunlight in the form of chemical bonds. The recent rapid development of new synthetic approaches enables the nanoscale engineering of semiconductor photoelectrodes, thus tailoring their physicochemical properties toward efficient H2 formation. In this work, we carried out the parallel optimization of the morphological features of the semiconductor light absorber (NiO) and the cocatalyst (Pt). While nanoporous NiO films were obtained by electrochemical anodization, the monodisperse Pt nanoparticles were synthesized using wet chemical methods...
June 8, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28736586/photothermal-microscopy-of-coupled-nanostructures-and-the-impact-of-nanoscale-heating-in-surface-enhanced-raman-spectroscopy
#11
Zhi-Cong Zeng, Hao Wang, Paul Johns, Gregory V Hartland, Zachary D Schultz
The optical properties of plasmonic nanoparticles are strongly dependent on interactions with other nanoparticles, which complicates analysis for systems larger than a few particles. In this work we examined heat dissipation in aggregated nanoparticles, and its influence on surface enhanced Raman scattering (SERS), through correlated photothermal heterodyne imaging, electron microscopy and SERS measurements. For dimers the per particle absorption cross-sections show evidence of interparticle coupling, however, the effects are much smaller than those for the field enhancements that are important for SERS...
June 1, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28603579/in-situ-optical-reflectance-difference-observations-of-co-oxidation-over-pd-100
#12
Willem G Onderwaater, Andriy Taranovskyy, Gertjan C van Baarle, Joost W M Frenken, Irene M N Groot
Using a home-built reflectometer, we have investigated the changes in the optical reflectivity of a Pd(100) model catalyst during CO oxidation under high-pressure, high-temperature conditions. We observe changes in optical contrast when exposing the surface to CO oxidation conditions at 200 mbar from room temperature up to 400 °C. These changes in reflectivity are a result both of the formation of a surface oxide layer and of a change in surface roughness because of gas exposure. However, the reflectivity is more sensitive to the presence of a thin, flat oxide layer than to surface roughness...
June 1, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28596812/hydrogen-chemical-configuration-and-thermal-stability-in-tungsten-disulfide-nanoparticles-exposed-to-hydrogen-plasma
#13
Alex Laikhtman, Gennady Makrinich, Meltem Sezen, Melike Mercan Yildizhan, Jose I Martinez, Doru Dinescu, Mariana Prodana, Marius Enachescu, Julio A Alonso, Alla Zak
The chemical configuration and interaction mechanism of hydrogen adsorbed in inorganic nanoparticles of WS2 are investigated. Our recent approaches of using hydrogen activated by either microwave or radiofrequency plasma dramatically increased the efficiency of its adsorption on the nanoparticles surface. In the current work we make an emphasis on elucidation of the chemical configuration of the adsorbed hydrogen. This configuration is of primary importance as it affects its adsorption stability and possibility of release...
June 1, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28572870/positively-and-negatively-charged-cesium-and-c60-m-cs-n-cluster-ions
#14
Michael Renzler, Lorenz Kranabetter, Marcelo Goulart, Paul Scheier, Olof Echt
We report on the formation and ionization of cesium and C60Cs clusters in superfluid helium nanodroplets. Size distributions of positively and negatively charged (C60) m Cs n(±) ions have been measured for m ≤ 7, n ≤ 12. Reproducible intensity anomalies are observed in high-resolution mass spectra. For both charge states, (C60) m Cs3(±) and (C60) m Cs5(±) are particularly abundant, with little dependence on the value of m. Distributions of bare cesium cluster ions also indicate enhanced stability of Cs3(±) and Cs5(±), in agreement with theoretical predictions...
May 25, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28553431/quantitative-analysis-of-electron-beam-damage-in-organic-thin-films
#15
Zino J W A Leijten, Arthur D A Keizer, Gijsbertus de With, Heiner Friedrich
In transmission electron microscopy (TEM) the interaction of an electron beam with polymers such as P3HT:PCBM photovoltaic nanocomposites results in electron beam damage, which is the most important factor limiting acquisition of structural or chemical data at high spatial resolution. Beam effects can vary depending on parameters such as electron dose rate, temperature during imaging, and the presence of water and oxygen in the sample. Furthermore, beam damage will occur at different length scales. To assess beam damage at the angstrom scale, we followed the intensity of P3HT and PCBM diffraction rings as a function of accumulated electron dose by acquiring dose series and varying the electron dose rate, sample preparation, and the temperature during acquisition...
May 18, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28539988/adsorption-study-of-a-water-molecule-on-vacancy-defected-nonpolar-cds-surfaces
#16
S S Gupta, M A van Huis
A detailed understanding of the water-semiconductor interface is of major importance for elucidating the molecular interactions at the photocatalyst's surface. Here, we studied the effect of vacancy defects on the adsorption of a water molecule on the (101̅0) and (112̅0) CdS surfaces, using spin-polarized density functional theory. We observed that the local spin polarization did not persist for most of the cationic vacancies on the surfaces, unlike in bulk, owing to surface reconstructions caused by displaced S atoms...
May 11, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28529675/role-of-dissociatively-adsorbed-water-on-the-formation-of-shallow-trapped-electrons-in-tio2-photocatalysts
#17
Anton Litke, Emiel J M Hensen, Jan P Hofmann
The mismatch between short lifetimes of free charge carriers and slow kinetics of surface redox reactions substantially limits the efficiency of most photocatalytic systems. Hence, the knowledge of trapping and recombination of photogenerated electrons and holes at different time scales is key for a rational optimization of photocatalytic materials. In this study, we used subsecond time-resolved diffuse-reflectance FTIR spectroscopy to investigate how energy and intensity of the incident irradiation affect the dynamics of photogenerated charge carriers in TiO2 P25 photocatalysts subjected to different pretreatments and how shallow trapped electrons (STE) are formed under these conditions...
May 11, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28479942/charge-carrier-trapping-processes-in-re2o2s-re-la-gd-y-and-lu
#18
Hongde Luo, Adrie J J Bos, Pieter Dorenbos
Two different charge carrier trapping processes have been investigated in RE2O2S:Ln(3+) (RE = La, Gd, Y, and Lu; Ln = Ce, Pr, and Tb) and RE2O2S:M (M = Ti(4+) and Eu(3+)). Cerium, praseodymium and terbium act as recombination centers and hole trapping centers while host intrinsic defects provide the electron trap. The captured electrons released from the intrinsic defects recombine at Ce(4+), Pr(4+), or Tb(4+) via the conduction band. On the other hand, Ti(4+) and Eu(3+) act as recombination centers and electron trapping centers while host intrinsic defects act as hole trapping centers...
April 27, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28479941/crystallization-kinetics-of-gesbte-phase-change-nanoparticles-resolved-by-ultrafast-calorimetry
#19
Bin Chen, Gert H Ten Brink, George Palasantzas, Bart J Kooi
Although nanostructured phase-change materials (PCMs) are considered as the building blocks of next-generation phase-change memory and other emerging optoelectronic applications, the kinetics of the crystallization, the central property in switching, remains ambiguous in the high-temperature regime. Therefore, we present here an innovative exploration of the crystallization kinetics of Ge2Sb2Te5 (GST) nanoparticles (NPs) exploiting differential scanning calorimetry with ultrafast heating up to 40 000 K s(-1)...
April 20, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28652890/silver-deposition-onto-modified-silicon-substrates
#20
Yichen Duan, Sana Rani, Yuying Zhang, Chaoying Ni, John T Newberg, Andrew V Teplyakov
Trimethylphosphine(hexafluoroacetylacetonato)silver(I) was used as a precursor to deposit silver onto silicon surfaces. The deposition was performed on silicon-based substrates including silica, H-terminated Si(100), and OH-terminated (oxidized) Si(100). The deposition processes at room temperature and elevated temperature (350 °C) were compared. The successful deposition resulted in nanostructures or nanostructured films as confirmed by atomic force microscopy (AFM) and scanning electron microscopy (SEM) with metallic silver being the majority deposited species as confirmed by X-ray photoelectron spectroscopy (XPS)...
April 6, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
journal
journal
41571
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"