Chemistry: Recent submissions
Now showing items 41-60 of 235
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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 ... -
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 ... -
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 ... -
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 ... -
Li15Si4 Formation in Silicon Thin Film Negative Electrodes
(The Electrochemical Society, 2015-11-19)The conditions for Li15Si4 formation in Si thin film negative electrodes was studied during charge and discharge cycling in lithium cells. It was found that Li15Si4 formation can be suppressed during cycling of Si thin ... -
NixSi1-x Alloys Prepared by Mechanical Milling as Negative Electrode Materials for Lithium Ion Batteries
(The Electrochemical Society, 2015-10-29)NixSi1-x (0 ≤ x ≤ 0.5, x = 0.05) alloys were prepared by ball milling and studied as anode materials for lithium ion batteries. Nanocrystalline Si/NiSi2 phases were formed for x ≤ 0.25. The NiSi phase was observed for ... -
Combinatorial Study of the Si-Sn-O System as Negative Electrode Materials in Li-Ion Cells
(The Electrochemical Society, 2015-11-17)SixSnyO1-x-y films with 0.45 < x < 0.80, 0.05 < y < 0.35, and 0.05 < (1-x-y) < 0.40 have been prepared using a magnetron sputtering method. All compositions had an amorphous structure and good capacity retention. Reversible ... -
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 ... -
Reversible lithium insertion in catalytically graphitized sugar carbon
(Elsevier, 2015-09-25)Highlights • First report of Li insertion in highly ordered catalytically derived graphite. • Fe catalyst combined with hard carbon precursors enable 1200 °C graphitization. • First report of highly ordered graphite ... -
Structural and Electrochemical Investigation of FexSi1-x Thin Films in Li Cells
(The Electrochemical Society, 2016-07-20)FexSi1-x thin films with 0 ≤ x ≤ 0.46 have been prepared by combinatorial sputtering and their electrochemical properties have been studied in Li half-cells. X-ray diffraction showed that all of the films had an amorphous ... -
Bridging and Conformational Control of Porphyrin Units through Non-Traditional Rigid Scaffolds
(2019-11-07)Connecting two porphyrin units in a rigid linear fashion, without any undesired electron delocalization or communication between the chromophores, remains a synthetic challenge. Herein, a broad library of functionally ... -
Synthesis, properties and reactivity of BCl2 aza-BODIPY complexes and salts of the aza-dipyrrinato scaffold
(Royal Society of Chemistry, 2020-02-25)The synthesis and characterisation of the BCl2-chelated complexes of both archetypal aza-dipyrrin sub- types are presented. A stepwise halogen exchange, leading to a mixed-halide Cl–B–F intermediate, is implicated in the ... -
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) -
Interplay between London Dispersion, Hubbard U, and Metastable States for Uranium Compounds
(American Chemical Society, 2021-03-25) -
Application of XDM to ionic solids: the importance of dispersion for bulk moduli and crystal geometries
(American Institute of Physics, 2020-08-06) -
Computational Modeling of Piezochromism in Molecular Crystals
(American Institute of Physics, 2020-06-15) -
Theoretical Investigation of Amino-Acid Adsorption on Hydroxylated Quartz Surfaces: Dispersion can Determine Enantioselectivity
(Royal Society of Chemistry, 2020-07-06) -
What is “many-body” dispersion and should I worry about it?
(Royal Society of Chemistry, 2020-04-06) -
Asymptotic Pairwise Dispersion Corrections Can Describe Layered Materials Accurately
(American Chemical Society, 2020-03-02) -
Analysis of Density-Functional Errors for Noncovalent Interactions between Charged Molecules
(American Chemical Society, 2019-12-17)