Browsing Chemistry by Title
Now showing items 49-68 of 234
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DFT treatment of strong correlation in 3d transition-metal diatomics
(American Institute of Physics, 2017) -
Directed Ortho and Remote Metalation of Naphthalene 1,8-Diamide: Complementing SEAr Reactivity for the Synthesis of Substituted Naphthalenes
(American Chemical Society, 2021-03-05) -
Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals
(American Chemical Society, 2019-08-01) -
Dynamics of anions and cations in cesium hydrogensulfide (CsHS, CsDS): Neutron and x-ray diffraction, calorimetry and proton NMR investigations
(2002-09)Protonated and deuterated samples of the hydrogensulfide of cesium were studied by high-resolution neutron powder diffraction, calorimetry and proton NMR investigations in a wide temperature range. Primarily due to ... -
The effect of electronic excitation on London dispersion
(NRC Research Press, 2018) -
Effect of the Metal Substrate on Interlayer Interactions in Bilayer Graphene
(American Chemical Society, 2018) -
Electrochemical Activity of Nano-NiSi2 in Li Cells
(The Electrochemical Society, 2016-09-09)Crystalline and nanocrystalline NiSi2 were studied as negative electrode materials in Li cells. Crystalline NiSi2 was found to be inactive toward lithiation/delithiation. However, it was found that NiSi2 becomes active ... -
The Electrochemical Behavior of Polyimide Binders in Li and Na Cells
(The Electrochemical Society, 2015-12-09)The electrochemistry of aromatic and aliphatic polyimide binders was characterized in composite coatings for Li-ion and Na-ion battery negative electrodes. Aromatic polyimide was found to have a large first lithiation ... -
The Electrochemical Reaction Mechanism of Tin Phosphide with Sodium
(The Electrochemical Society, 2016-04-08)The sodiation mechanism of Sn4P3 was studied by ex-situ X-ray diffraction and Mössbauer effect spectroscopy. These results show that Sn4P3 is initially amorphized during sodiation, and suggest that upon further sodiation ... -
Electrochemical route for the fabrication of alkanethiolate-capped gold nanoparticles
(2003-03)No abstract available. -
Electrochemistry and Thermal Behavior of SiOx Made by Reactive Gas Milling
(The Electrochemical Society, 2020-06-30)SiOx with various oxygen contents were synthesized from Si powder by a simple room-temperature ball milling method by controlling the air exposure time during milling. The resulting SiOx consists of nano and amorphous Si ... -
The Electrochemistry of Amorphous Si-B Thin Film Electrodes in Li Cells
(The Electrochemical Society, 2015-11-14)Abstract Si1-xBx thin films of 0.071 ≤ x ≤ 0.950 have been synthesized using combinational sputtering. All Si1-xBx film compositions had a highly amorphous structure consisting of amorphous Si and B phases, as characterized ... -
Electrochemistry of Catalytically Graphitized Ball Milled Carbon in Li Batteries
(The Electrochemical Society, 2016-03-03)High carbon Fe-C composites with starting concentrations of 10, 20, 30, and 40 wt% Fe (2.3 - 12.5 atomic % Fe) were prepared by ball milling followed by annealing. Increasing the Fe concentration and annealing temperature ... -
Electrochemistry of CuxSi1−x Alloys in Li Cells
(The Electrochemical Society, 2016-04-20)The structure and electrochemistry in lithium cells of sputtered thin films and ball milled alloys in the Cu-Si system (0 ≤ x ≤ 0.60 in CuxSi1−x) were investigated. Both thin films and ball milled Cu-Si alloys showed the ... -
Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality
(American Chemical Society, 2017) -
Energetics of Long Alkyl Chains Embedded in a Crystalline Matrix - (Normal-C18h37nh3)2cdcl4
(1984)No abstract available. -
Engineered Particle Synthesis by Dry Particle Microgranulation
(Elsevier Inc, 2020-04-14)Highlights * A method of making monodisperse engineered ∼10-μm particles is introduced * Core-shell, spherical, and tetrahedral particles demonstrated at ∼100% yield * Spherical layered oxides for Li-ion batteries ... -
Evaluation of Shear-Slip Transitions in Crystalline Aspirin by Density-Functional Theory
(American Chemical Society, 2016) -
Exchange-correlation effects for non-covalent interactions in density-functional theory
(American Chemical Society, 2016)