scholarly journals Lithium insertion mechanism in CoSb3analysed by121Sb Mössbauer spectrometry, X-ray absorption spectroscopy and electronic structure calculations

2004 ◽  
Vol 14 (11) ◽  
pp. 1759-1767 ◽  
Author(s):  
Isabelle Devos ◽  
Manfred Womes ◽  
Mike Heilemann ◽  
Josette Olivier-Fourcade ◽  
Jean-Claude Jumas ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Electronic Structure Calculations ◽  
Mössbauer Spectrometry ◽  
Lithium Insertion ◽  
X Ray ◽  
Lithium Insertion Mechanism ◽  
Insertion Mechanism ◽  
X Ray Absorption ◽  
Structure Calculations

X-ray Absorption Spectroscopy study of lithium insertion mechanism in Li1.2V3O8

2002 ◽  
Vol 756 ◽  
Author(s):  
N. Bourgeon ◽  
J. Gaubicher ◽  
D. Guyomard ◽  
G. Ouvrard
Keyword(s):  
Absorption Spectroscopy ◽  
Local Environment ◽  
Lithium Insertion ◽  
Spectroscopy Study ◽  
X Ray ◽  
Lithium Insertion Mechanism ◽  
Insertion Mechanism ◽  
Reversible Evolution ◽  
X Ray Absorption

ABSTRACTX-ray absorption spectroscopy (XAS) measurements were performed to thoroughly understand lithium insertion mechanism in Li1.2V3O8. The evolution of the absorption pre-edge and edge corresponding to the local environment of the vanadium in the bulk has been examined by ex-si tu XAS measurement at the vanadium K edge, during the first discharge-charge cycle. The results show a regular and reversible evolution of the pre-edge intensity, the edge position and the vanadium environment toward nearly perfect VO6 octahedra.

scholarly journals Synthesis and Molecular Properties of Partially Fluorinated DNTTs

2020 ◽  
Author(s):  
Matthias W Tripp ◽  
Daniel Bischof ◽  
Maximilian Dreher ◽  
Gregor Witte ◽  
Ulrich Koert
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Electronic Structures ◽  
Electronic Structure Calculations ◽  
X Ray ◽  
Wittig Olefination ◽  
X Ray Absorption ◽  
Homo Lumo ◽  
Structure Calculations

1,2,3,4-Tetrafluoro-dinaphthothienothiophene (F4DNTT) and 1,2,3,4,8,9,10,11-octafluoro-dinaphthothienothiophene (F8DNTT) were synthesized via bisthiomethyl alkene intermediates which were accessible by McMurry coupling or Wittig olefination of partially fluorinated naphthalene precursors. DFT-based electronic structure calculations, X-ray absorption spectroscopy (NEXAFS) and UV/Vis measurements were used for HOMO/LUMO gap determination and to analyse the electronic structures of the partially fluorinated DNTTs. Reduced exciton binding was observed in thin films

scholarly journals Synthesis and Molecular Properties of Partially Fluorinated DNTTs

2020 ◽  
Author(s):  
Matthias W Tripp ◽  
Daniel Bischof ◽  
Maximilian Dreher ◽  
Gregor Witte ◽  
Ulrich Koert
Keyword(s):  
Thin Films ◽  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Electronic Structures ◽  
Electronic Structure Calculations ◽  
X Ray ◽  
Wittig Olefination ◽  
X Ray Absorption ◽  
Homo Lumo ◽  
Structure Calculations

1,2,3,4-Tetrafluoro-dinaphthothienothiophene (F4DNTT) and 1,2,3,4,8,9,10,11-octafluoro-dinaphthothienothiophene (F8DNTT) were synthesized via bisthiomethyl alkene intermediates which were accessible by McMurry coupling or Wittig olefination of partially fluorinated naphthalene precursors. DFT-based electronic structure calculations, X-ray absorption spectroscopy (NEXAFS) and UV/Vis measurements were used for HOMO/LUMO gap determination and to analyse the electronic structures of the partially fluorinated DNTTs. Reduced exciton binding was observed in thin films

Changes in Electronic Structure upon Lithium Insertion into Fe2(SO4)3and Fe2(MoO4)3Investigated by X-ray Absorption Spectroscopy

2007 ◽  
Vol 111 (6) ◽  
pp. 1424-1430 ◽  
Author(s):  
Junichi Shirakawa ◽  
Masanobu Nakayama ◽  
Masataka Wakihara ◽  
Yoshiharu Uchimoto
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Lithium Insertion ◽  
X Ray ◽  
X Ray Absorption

Using X-ray Absorption Spectroscopy to Measure Changes of Electronic Structure Accompanying Lithium Insertion into the Perovskite Type Oxides

2003 ◽  
Vol 15 (8) ◽  
pp. 1728-1733 ◽  
Author(s):  
Masanobu Nakayama ◽  
Kazuomi Imaki ◽  
Wonkyung Ra ◽  
Hiromasa Ikuta ◽  
Yoshiharu Uchimoto ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Lithium Insertion ◽  
X Ray ◽  
X Ray Absorption ◽  
Perovskite Type

scholarly journals X-Ray absorption spectroscopy of LiBF4 in propylene carbonate: a model lithium ion battery electrolyte

2014 ◽  
Vol 16 (43) ◽  
pp. 23568-23575 ◽  
Author(s):  
Jacob W. Smith ◽  
Royce K. Lam ◽  
Alex T. Sheardy ◽  
Orion Shih ◽  
Anthony M. Rizzuto ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Propylene Carbonate ◽  
First Principles ◽  
Lithium Ion ◽  
Electronic Structure Calculations ◽  
X Ray ◽  
Battery Electrolyte ◽  
X Ray Absorption ◽  
Structure Calculations ◽  
Insight Into

X-ray absorption spectra, interpreted using first-principles electronic structure calculations, provide insight into the solvation of the lithium ion in propylene carbonate.

Electronic structure and magnetic states inLa1−xSrxCoO3studied by photoemission and x-ray-absorption spectroscopy

1997 ◽  
Vol 56 (3) ◽  
pp. 1290-1295 ◽  
Author(s):  
T. Saitoh ◽  
T. Mizokawa ◽  
A. Fujimori ◽  
M. Abbate ◽  
Y. Takeda ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
Magnetic States ◽  
X Ray Absorption
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