Configuration-interaction full-multiplet calculation to analyze the electronic structure of a cyano-bridged coordination polymer electrode

Journal of Physical Chemistry C

Volumn 116, Issue 47, 2012, Pages 24896-24901

  Nanba, Yusuke ^a   Asakura, Daisuke ^a   Okubo, Masashi ^a   Mizuno, Yoshifumi ^a   Kudo, Tetsuichi ^a   Zhou, Haoshen ^a   Amemiya, Kenta ^b   Guo, Jinghua ^c   Okada, Kozo ^d  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b INSTITUTE OF MATERIALS STRUCTURE SCIENCE   (Japan)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^d OKAYAMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BACK-DONATION; BATTERY PERFORMANCE; CHARGE/DISCHARGE; CHARGED STATE; CONFIGURATION INTERACTIONS; COORDINATION POLYMERS; CYANO-BRIDGED; ELECTRODE MATERIAL; LIGAND-TO-METAL CHARGE TRANSFERS; METAL-TO-LIGAND CHARGE TRANSFER; PRUSSIAN BLUE ANALOGUES; SOFT X-RAY ABSORPTION SPECTROSCOPIES;

CYANIDES; ELECTRONIC STRUCTURE; LIGANDS; VANADIUM COMPOUNDS;

CHARGE TRANSFER;

EID: 84870401569     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp310328q     Document Type: Article

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