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Hafiz, H.; Suzuki, K.; Barbiellini, B.; Orikasa, Y.; Callewaert, V.; Kaprzyk, S.; Itou, M.; Yamamoto, K.; Yamada, R.; Uchimoto, Y.; Sakurai, Y.; Sakurai, H.; Bansil, A. |
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Title |
Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering |
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A1 Journal article |
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Year  |
2017 |
Publication |
Science Advances |
Abbreviated Journal |
Sci. Adv. |
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Volume |
3 |
Issue |
8 |
Pages |
e1700971 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. We show that inelastic scattering spectroscopy using high-energy x-ray photons (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials. |
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Wos |
000411589900055 |
Publication Date |
2017-08-24 |
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ISSN |
2375-2548 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
9 |
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Notes |
The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (grant no. DE-FG02-07ER46352) and benefited from the Northeastern University’s Advanced Scientific Computation Center and the National Energy Research Scientific Computing Center supercomputing center through DOE grant no. DEAC02-05CH11231. The work at Gunma University, Japan Synchrotron Radiation Research Institute (JASRI), and Kyoto University was supported by the Japan Science and Technology Agency. K.S. was supported by Grant-in-Aid for Young Scientists (B) from MEXT KAKENHI under grant nos. 24750065 and 15K17873. The Compton scattering experiments were performed with the approval of JASRI (proposal no. 2014A1289). V.C. was supported by the FWO-Vlaanderen through project no. G. 1161 0224.14N. |
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Most recent IF: NA |
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Call Number |
CMT @ cmt @c:irua:145034 |
Serial |
4637 |
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Author |
Kifune, K.; Yamamoto, K.; Maruyama, S.; Van Tendeloo, G. |
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Title |
The domain configuration of the Au11In3 phase |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
Philosophical magazine letters |
Abbreviated Journal |
Phil Mag Lett |
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Volume |
69 |
Issue |
4 |
Pages |
211-214 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The crystal structure of Au11In3 thin film alloys have been analysed by means of electron diffraction and high-resolution electron microscopy. The electron diffraction pattern and the high-resolution electron microscopy revealed that this structure was incommensurate and had a domain structure consisting of three kinds of structural unit. The approximant structural model, which is based on a h.c.p. stacking of the layers, is hexagonal with lattice parameters a = 7.612 nm and c = 0-478 nm. |
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London |
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A1994NE53100007 |
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2007-07-08 |
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0950-0839;1362-3036; |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.087 |
Times cited |
2 |
Open Access |
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Approved |
PHYSICS, APPLIED 47/145 Q2 # |
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Call Number |
UA @ lucian @ c:irua:95438 |
Serial |
3574 |
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