Experimental and theoretical correlations between vanadium K-edge X-ray absorption and Kβ emission spectra.

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作者： Julian A,Rees ^[1] ; Aleksandra,Wandzilak ^[2] ; Dimitrios,Maganas ^[1] ; Nicole I C,Wurster ^[3] ; Stefan,Hugenbruch ^[1] ; Joanna K,Kowalska ^[1] ; Christopher J,Pollock ^[1] ; Frederico A,Lima ^[1] ; Kenneth D,Finkelstein ^[1] ; Serena,DeBeer ^[4]

作者单位： Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany. ^[1] Department of Chemistry, University of Washington, Box 351700, Seattle, WA, 98195-1700, USA. ^[2] Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, al. Mickiewicza 30, 30-059, Kraków, Poland. ^[3] Department of Chemistry, The Pennsylvania State University, University Park, PA, 16802, USA. ^[4] Centro Nacional de Pesquisa em Energia e Materiais, Laboratório Nacional de Luz Síncrotron, Rua Giuseppe Máximo Scolfaro 10000, Campinas, SP, 13083-970, Brazil. ^[5] Cornell High Energy Synchrotron Source, Wilson Laboratory, Cornell University, Ithaca, NY, 14853, USA. ^[6] Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, 45470, Mülheim an der Ruhr, Germany. serena.debeer@cec.mpg.de. ^[7] Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, 14853, USA. serena.debeer@cec.mpg.de. ^[8]

关键词 Density functional theory DFT Vanadium X-ray spectroscopy XAS XES

主题词量子论(Quantum Theory);光谱法, X线发射(Spectrometry, X-Ray Emission);钒化合物(Vanadium Compounds);X射线吸收光谱(X-Ray Absorption Spectroscopy)

DOI 10.1007/s00775-016-1358-7

PMID 27251139

发布时间 2024-03-25

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