Journal ArticleDOI
High-density electron anions in a nanoporous single crystal: [Ca24Al28O64]4+(4e-).
Satoru Matsuishi,Yoshitake Toda,Masashi Miyakawa,Katsuro Hayashi,Toshio Kamiya,Masahiro Hirano,Isao Tanaka,Hideo Hosono +7 more
TLDR
The removal of clathrated oxygen ions from the crystallographic cages in a single crystal of 12CaO·7Al2O3, leading to the formation of high-density electrons highly localized in the cages, may be regarded as a thermally and chemically stable single crystalline “electride.”Abstract:
We removed approximately 100% of clathrated oxygen ions from the crystallographic cages in a single crystal of 12CaO.7Al2O3, leading to the formation of high-density (approximately 2 x 10(21) cm-3) electrons highly localized in the cages. The resulting electron forms a structure that we interpret as an F+ center and migrates throughout the crystal by hopping to a neighboring cage with conductivity approximately 100 siemens per centimeter, demonstrating that the encaged electron behaves as an anion. The electron anions couple antiferromagnetically with each other, forming a diamagnetic pair or singlet bipolaron. The resulting [Ca24Al28O64]4+(4e-) may be regarded as a thermally and chemically stable single crystalline "electride."read more
Citations
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Ammonia synthesis using a stable electride as an electron donor and reversible hydrogen store
Masaaki Kitano,Yasunori Inoue,Youhei Yamazaki,Fumitaka Hayashi,Shinji Kanbara,Satoru Matsuishi,Toshiharu Yokoyama,Sung Wng Kim,Sung Wng Kim,Michikazu Hara,Hideo Hosono +10 more
TL;DR: Kinetic analysis with infrared spectroscopy reveals that C12A7:e(-) markedly enhances N(2) dissociation on Ru by the back donation of electrons and that the poisoning of ruthenium surfaces by hydrogen adatoms can be suppressed effectively because of the ability of C12 a7: e(-) to store hydrogen reversibly.
Journal ArticleDOI
Recent progress in transparent oxide semiconductors: Materials and device application
TL;DR: In this article, a review of recent research progress on new transparent conductive oxide (TCO) materials and electronic and optoelectronic devices based on these materials is presented along with the fabrication method of epitaxial thin films of these materials.
Journal ArticleDOI
Origins of High Mobility and Low Operation Voltage of Amorphous Oxide TFTs: Electronic Structure, Electron Transport, Defects and Doping
TL;DR: The origins of the prominent features of AOS devices from the viewpoint of materials science of A OS indicate that electron transport in oxide semiconductors are insensitive to random structures and these oxides do not form high-density defects that affect electron transport and TFT operation.
Journal ArticleDOI
Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis
Masaaki Kitano,Shinji Kanbara,Yasunori Inoue,Navaratnarajah Kuganathan,Peter V. Sushko,Toshiharu Yokoyama,Michikazu Hara,Hideo Hosono +7 more
TL;DR: Kinetics of nitrogen and hydrogen isotope exchange and hydrogen adsorption/desorption reactions for a recently discovered efficient catalyst for ammonia synthesis are examined and it is found that the rate controlling step of ammonia synthesis over Ru/C12A7:e− is not dissociation of the nitrogen–nitrogen triple bond but the subsequent formation of N–Hn species.
Journal ArticleDOI
Structure prediction drives materials discovery
Artem R. Oganov,Artem R. Oganov,Artem R. Oganov,Chris J. Pickard,Chris J. Pickard,Qiang Zhu,Richard J. Needs +6 more
TL;DR: This Review discusses structure prediction methods, examining their potential for the study of different materials systems, and presents examples of computationally driven discoveries of new materials — including superhard materials, superconductors and organic materials — that will enable new technologies.
References
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Journal ArticleDOI
A Rietveld-Analysis Programm RIETAN-98 and its Applications to Zeolites
Fujio Izumi,Takuji Ikeda +1 more
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Electron Spin Resonance Absorption in Metals. II. Theory of Electron Diffusion and the Skin Effect
TL;DR: In this paper, the theory of paramagnetic resonance absorption by conduction electrons in a metal is worked out, taking into account the diffusion of the electrons in and out of the thin skin into which the radio-frequency field penetrates.
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Electron Spin Resonance Absorption in Metals. I. Experimental
George Feher,A. F. Kip +1 more
TL;DR: In this paper, the electron spin resonance absorption in metals was investigated at 300 and 9000 Mc/sec, in the temperature range from 4\ifmmode^\circ\else\textdegree\fi{}K to 296\ifmode^''circ\circ''else''textdegree''fi{ }K, with too poor a signal-to-noise ratio to make accurate measurements.
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Light-induced conversion of an insulating refractory oxide into a persistent electronic conductor.
TL;DR: Here it is demonstrated a process by which the transparent insulating oxide 12CaO·7Al2O3 (refs 7–13) can be converted into an electrical conductor and suggested that this concept can be applied to other main-group metal oxides, for the direct optical writing of conducting wires in insulating transparent media and the formation of a high-density optical memory.
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Microporous Crystal 12CaO·7Al2O3 Encaging Abundant O- Radicals
TL;DR: In this paper, high concentrations (>1020 cm-3) of active oxygenic radicals, O- and O2-, have been created in the zeolitic crystal, 12CaO·7Al2O3 (C12A7), which can accommodate anions in its cavities.