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2022 (3)

1997 (1)

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Book
The Jahn-Teller effect in C [sub] 60 and other icosahedral complexes
Authors: ---
ISBN: 0691225346 Year: 1997 Publisher: Princeton, New Jersey : Princeton University Press,

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Abstract

Because of the high symmetry involved, the Jahn-Teller effect is the natural starting point for considering electron-phonon (or vibronic) interactions in icosahedral molecules. This work is the first comprehensive theoretical analysis of the Jahn-Teller interaction in C60 and other icosahedral complexes. The importance of this research derives in part from the increasing, widespread interest in C60 and other molecular clusters and their application in science and industry. The electrical and spectroscopic properties of fullerene and fulleride compounds depend intimately on the coupling between the electronic and vibrational modes of these systems, and this book addresses the fundamental theoretical questions. In particular, a chapter is devoted to the connection between the theory and experimental observations, such as ESR (electron spin resonance) effects and molecular spectra. Earlier books have discussed the theory of Jahn-Teller interactions in lower symmetry structures (cubic, tetrahedral, tetragonal, trigonal,.); this is the first that focuses on the new icosahedral systems, whose most famous example is Buckminsterfullerene, C60. The book's authors have over fifty years of combined research experience into the theoretical aspects of the Jahn-Teller effect.


Book
A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary
Authors: --- --- ---
Year: 2022 Publisher: Basel MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

This book of Molecules is dedicated to Professor John B. Goodenough (born July 25, 1922, Jena, Germany), an American physicist, who won the 2019 Nobel Prize for Chemistry for his work on developing lithium-ion batteries.

Keywords

Research & information: general --- Chemistry --- Physical chemistry --- structure --- bonding --- physical properties --- collective or localized electrons --- exchange integral --- p-magnetism --- boron sub-oxide --- interstitial atoms --- DFT --- DOS --- ELF --- charge density plots --- bifunctional catalyst --- hybrid catalyst --- oxygen reduction reaction --- oxygen evolution reaction --- four-electron pathway --- lithium ionic conductor --- perovskite structure --- solid electrolyte --- oxide --- lithium-sulfur batteries --- tungsten oxide nanowire --- interlayer --- thiosulfate mediator --- Keywords: spin exchange --- magnetic orbitals --- ligand p-orbital tails --- M–L–M exchange --- M–L…L–M exchange --- α-CuV2O6 --- LiCuVO4 --- (CuCl)LaNb2O7 --- Cu3(CO3)2(OH)2 --- spin Hamiltonian --- magnetism --- energy-mapping analysis --- four-state method --- Green’s function method --- magnetic ground state --- spin exchange --- magnetic anisotropy --- molecular anion --- MPS3 --- qualitative rules --- batteries --- positive electrode --- vanadium phosphates --- covalent vanadyl bond --- mixed anion --- density functional theory --- quantum Monte Carlo --- fast Li+ ion conductor --- Li-ion battery --- spinel --- solid-state battery --- cathode-electrolyte interface --- indigo carmine --- solid polymer electrolyte --- solid state battery --- LMP® technology --- organic battery --- layered oxide cathodes --- alkali–alkali interactions --- electronic structure --- Li diffusion --- defect engineering --- perovskite electrolyte --- lithium-ion battery --- migration pathway --- anisotropic response --- cathode --- polyanion --- high-voltage --- n/a --- M-L-M exchange --- M-L...L-M exchange --- Green's function method --- alkali-alkali interactions


Book
A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary
Authors: --- --- ---
Year: 2022 Publisher: Basel MDPI - Multidisciplinary Digital Publishing Institute

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Bookmark

Abstract

This book of Molecules is dedicated to Professor John B. Goodenough (born July 25, 1922, Jena, Germany), an American physicist, who won the 2019 Nobel Prize for Chemistry for his work on developing lithium-ion batteries.

Keywords

Research & information: general --- Chemistry --- Physical chemistry --- structure --- bonding --- physical properties --- collective or localized electrons --- exchange integral --- p-magnetism --- boron sub-oxide --- interstitial atoms --- DFT --- DOS --- ELF --- charge density plots --- bifunctional catalyst --- hybrid catalyst --- oxygen reduction reaction --- oxygen evolution reaction --- four-electron pathway --- lithium ionic conductor --- perovskite structure --- solid electrolyte --- oxide --- lithium-sulfur batteries --- tungsten oxide nanowire --- interlayer --- thiosulfate mediator --- Keywords: spin exchange --- magnetic orbitals --- ligand p-orbital tails --- M–L–M exchange --- M–L…L–M exchange --- α-CuV2O6 --- LiCuVO4 --- (CuCl)LaNb2O7 --- Cu3(CO3)2(OH)2 --- spin Hamiltonian --- magnetism --- energy-mapping analysis --- four-state method --- Green’s function method --- magnetic ground state --- spin exchange --- magnetic anisotropy --- molecular anion --- MPS3 --- qualitative rules --- batteries --- positive electrode --- vanadium phosphates --- covalent vanadyl bond --- mixed anion --- density functional theory --- quantum Monte Carlo --- fast Li+ ion conductor --- Li-ion battery --- spinel --- solid-state battery --- cathode-electrolyte interface --- indigo carmine --- solid polymer electrolyte --- solid state battery --- LMP® technology --- organic battery --- layered oxide cathodes --- alkali–alkali interactions --- electronic structure --- Li diffusion --- defect engineering --- perovskite electrolyte --- lithium-ion battery --- migration pathway --- anisotropic response --- cathode --- polyanion --- high-voltage --- n/a --- M-L-M exchange --- M-L...L-M exchange --- Green's function method --- alkali-alkali interactions


Book
A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary
Authors: --- --- ---
Year: 2022 Publisher: Basel MDPI - Multidisciplinary Digital Publishing Institute

Loading...
Export citation

Choose an application

Bookmark

Abstract

This book of Molecules is dedicated to Professor John B. Goodenough (born July 25, 1922, Jena, Germany), an American physicist, who won the 2019 Nobel Prize for Chemistry for his work on developing lithium-ion batteries.

Keywords

structure --- bonding --- physical properties --- collective or localized electrons --- exchange integral --- p-magnetism --- boron sub-oxide --- interstitial atoms --- DFT --- DOS --- ELF --- charge density plots --- bifunctional catalyst --- hybrid catalyst --- oxygen reduction reaction --- oxygen evolution reaction --- four-electron pathway --- lithium ionic conductor --- perovskite structure --- solid electrolyte --- oxide --- lithium-sulfur batteries --- tungsten oxide nanowire --- interlayer --- thiosulfate mediator --- Keywords: spin exchange --- magnetic orbitals --- ligand p-orbital tails --- M–L–M exchange --- M–L…L–M exchange --- α-CuV2O6 --- LiCuVO4 --- (CuCl)LaNb2O7 --- Cu3(CO3)2(OH)2 --- spin Hamiltonian --- magnetism --- energy-mapping analysis --- four-state method --- Green’s function method --- magnetic ground state --- spin exchange --- magnetic anisotropy --- molecular anion --- MPS3 --- qualitative rules --- batteries --- positive electrode --- vanadium phosphates --- covalent vanadyl bond --- mixed anion --- density functional theory --- quantum Monte Carlo --- fast Li+ ion conductor --- Li-ion battery --- spinel --- solid-state battery --- cathode-electrolyte interface --- indigo carmine --- solid polymer electrolyte --- solid state battery --- LMP® technology --- organic battery --- layered oxide cathodes --- alkali–alkali interactions --- electronic structure --- Li diffusion --- defect engineering --- perovskite electrolyte --- lithium-ion battery --- migration pathway --- anisotropic response --- cathode --- polyanion --- high-voltage --- n/a --- M-L-M exchange --- M-L...L-M exchange --- Green's function method --- alkali-alkali interactions

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