Chem Phys
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Kento Minamikawa ◽  
Shun Sarugaku ◽  
Masashi Arakawa ◽  
Akira Terasaki

Correction for ‘Electron counting in cationic and anionic silver clusters doped with a 3d transition-metal atom: endo- vs. exohedral geometry’ by Kento Minamikawa et al., Phys. Chem. Chem. Phys., 2022, DOI: 10.1039/d1cp04197e.

Yury A. Budkov ◽  
Nikolai N. Kalikin ◽  
Andrei L. Kolesnikov

Correction for ‘Electrochemistry meets polymer physics: polymerized ionic liquids on an electrified electrode’ by Yury A. Budkov et al., Phys. Chem. Chem. Phys., 2022, DOI: 10.1039/d1cp04221a.

X. H. Zheng ◽  
J. X. Zheng

In superconductors, scattered electrons cover the entire surface of the Fermi sphere (circle in the figure, valency = 3). In the MP scheme in the article concerned, the shaded wedge confines coverage, causing errors in results.

Mingyang Du ◽  
Zihan Zhang ◽  
Hao Song ◽  
Hongyu Yu ◽  
Tian Cui ◽  

For the metal hydride MoH11, more than 60% of the electron–phonon coupling (λ) is contributed by hydrogen which leads to a diminishing role of the umklapp phonons.

2021 ◽  
Vol 118 (52) ◽  
pp. e2114221118
François Robert ◽  
Marc Chaussidon ◽  
Adriana Gonzalez-Cano ◽  
Smail Mostefaoui

Enrichment or depletion ranging from −40 to +100% in the major isotopes 16O and 24Mg were observed experimentally in solids condensed from carbonaceous plasma composed of CO2/MgCl2/Pentanol or N2O/Pentanol for O and MgCl2/Pentanol for Mg. In NanoSims imaging, isotope effects appear as micrometer-size hotspots embedded in a carbonaceous matrix showing no isotope fractionation. For Mg, these hotspots are localized in carbonaceous grains, which show positive and negative isotopic effects so that the whole grain has a standard isotope composition. For O, no specific structure was observed at hotspot locations. These results suggest that MIF (mass-independent fractionation) effects can be induced by chemical reactions taking place in plasma. The close agreement between the slopes of the linear correlations observed between δ25Mg versus δ26Mg and between δ17O versus δ18O and the slopes calculated using the empirical MIF factor η discovered in ozone [M. H. Thiemens, J. E. Heidenreich, III. Science 219, 1073–1075; C. Janssen, J. Guenther, K. Mauersberger, D. Krankowsky. Phys. Chem. Chem. Phys. 3, 4718–4721] attests to the ubiquity of this process. Although the chemical reactants used in the present experiments cannot be directly transposed to the protosolar nebula, a similar MIF mechanism is proposed for oxygen isotopes: at high temperature, at the surface of grains, a mass-independent isotope exchange could have taken place between condensing oxides and oxygen atoms originated form the dissociation of CO or H2O gas.

Robert C. Chapleski ◽  
Azhad U. Chowdhury ◽  
Kyle R. Mason ◽  
Robert L. Sacci ◽  
Benjamin Doughty ◽  

Correction for ‘Interfacial acidity on the strontium titanate surface: a scaling paradigm and the role of the hydrogen bond’ by Robert C. Chapleski, Jr. et al., Phys. Chem. Chem. Phys., 2021, 23, 23478–23485, DOI: 10.1039/D1CP03587H.

Vincent Graves ◽  
Bridgette Cooper ◽  
Jonathan Tennyson

Abstract There are many measurements and calculations of total electron impact ionisation cross sections. However, many applications, particularly in plasma physics, also require fragmentation patterns. Approximate methods of deducing partial cross sections are tested based on the use of total cross section computed within the well-used Binary Encounter Bethe (BEB) approximation. Partial ionisation cross sections for three series of molecules including CH$_4$, CF$_4$ and CCl$_4$; SiH$_4$ and SiCl$_4$; NH$_3$ and PH$_3$, were estimated using two methods. Method one is semi-empirical and uses mass spectroscopy data to fix the partial cross sections at a single electron energy. The second is a a fully computational method proposed by Huber {\it et al.} (2019, J. Chem. Phys., 150, 024306). Comparisons with experimental results suggest that the mass spectroscopy method is more accurate. However, as Huber's method requires no experimental input, this method could be used as a first approximation when no experimental data is available. As mass spectroscopy sometimes provides incomplete datasets, a hybrid method based on the use of both methods is also explored.

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