Results 31 to 40 of about 66,822 (374)
Dangling bonds on the Cl- and Br-terminated Si(100) surfaces [PDF]
, 2022 Halogen monolayer on a silicon surface is attracting active attention for applications in electronic device fabrication with individual impurities. To create a halogen mask for the impurities incorporation, it is desirable to be able to remove a single halogen atom from the surface.
arxiv +1 more source
Ions at the air-water interface: An end to one hundred year old mystery? [PDF]
, 2009 Availability of highly reactive halogen ions at the surface of aerosols has tremendous implications for the atmospheric chemistry. Yet neither simulations, experiments, nor existing theories are able to provide a fully consistent description of the ...
Diehl, Alexandre +2 more
core +2 more sources
Stable bromine isotopic composition of atmospheric CH3Br
Tellus: Series B, Chemical and Physical Meteorology, 2013 Tropospheric methyl bromide (CH3Br) is the largest source of bromine to the stratosphere and plays an important role in ozone depletion. Here, the first stable bromine isotope composition (%26dgr%3B81Br) of atmospheric CH3Br is presented.
Axel Horst +5 more
doaj +1 more source
Statistical Analysis of $σ$-Holes: A Novel Complementary View on Halogen Bonding [PDF]
Physical Chemistry Chemical Physics 2014, 16(36), 19111-19114, 2017 To contribute to the understanding of noncovalent binding of halogenated molecules with a biological activity, electrostatic potential (ESP) maps of more than 2,500 compounds were thoroughly analysed. A peculiar region of positive ESP, called $\sigma$-hole, is a concept of central importance for halogen bonding.
arxiv +1 more source
An appraisal of the molecular model for the vk centre [PDF]
, 2002 The Vk centre in halide crystals is often described in terms of an X2− molecule ion. Recent molecular calculations for the halogen molecule negative ions have enabled a detailed comparison to be made between the theoretical anion and the results from ...
Stoneham, AM, Tasker, PW
core +1 more source
Molecules, 2020 New D-π-A configured organic sensitizers featuring halogen-substituted oxindole-bridged acceptor units have been synthesized for dye-sensitized solar cells applications.
Yogesh S. Tingare +5 more
doaj +1 more source
Halogen chemistry reduces tropospheric O3 radiative forcing [PDF]
Atmospheric Chemistry and Physics, 2017 Tropospheric ozone (O3) is a global warming gas, but the lack of a firm observational record since the preindustrial period means that estimates of its radiative forcing (RFTO3) rely on model calculations.
T. Sherwen +4 more
doaj +1 more source
Polyhalogenated Molecules in the Polarizable Ellipsoidal Force Field Model [PDF]
arXiv, 2021 Polyhalogenated compounds are common in industrial, agricultural, and environmental applications. These compounds contain more halogen bonds than monohalogenated compounds. The presence of coupled {\sigma}-holes in the covalent halogen atoms, which demonstrates strong interplay in halogen bonds, should be carefully evaluated in force field optimization.
arxiv
Halogens in the synthesis of colloidal semiconductor nanocrystals [PDF]
Z. Phys. Chem. 232 (2018) 1267, 2018 In this review, we highlight the role of halogenated compounds in the colloidal synthesis of nanostructured semiconductors. Halogen-containing metallic salts used as precursors and halogenated hydrocarbons used as ligands allow stabilizing different shapes and crystal phases, and enable the formation of colloidal systems with different dimensionality ...
arxiv +1 more source
Adsorption of diatomic halogen molecules on graphene: A van der Waals density functional study [PDF]
, 2010 The adsorption of fluorine, chlorine, bromine, and iodine diatomic molecules on graphene has been investigated using density functional theory with taking into account nonlocal correlation effects by means of vdW-DF approach. It is shown that the van der
Katsnelson, M. I. +3 more
core +2 more sources