Relying on the electron energy loss spectrum(EELS)of metallic elements to obtain microstructure analysis is an investigation method of the reaction mechanisms of transition metal oxides(TMOs)in catalysis,energy storag...Relying on the electron energy loss spectrum(EELS)of metallic elements to obtain microstructure analysis is an investigation method of the reaction mechanisms of transition metal oxides(TMOs)in catalysis,energy storage and conversion.However,the low signal from K shell owing to insufficient electron beam energy,and the complicated electronic structure in L shell of the metal element restrict the analysis of the coordination environment of the TMOs.Herein,density functional theory(DFT)calculation,Fourier transform(FT)and wavelet transform(WT)were employed to probe the relationship between the four individual peaks in O K-edge spectra of iron oxides and the microstructure information(chemical bonds and atomic coordination).The findings show that the peak amplitude ration is in a linear correlation with the valence state of Fe element,and that the coordination number obtained by radial distribution function(RDF)is favorably linearly correlative with that from the standard coordination structure model.As a result,the quantitative analysis on the change of valence state and atomic coordination in microstructure can be realized by EELS O K-edge spectra.This study establishes EELS O K-edge spectrum as a promising pathway to quantitatively analyze the valence state and atomic coordination information of TMOs,and offers an effective method to conduct microstructure analysis via the EELS spectra of the non-metal element.展开更多
基金the financial support provided by the National Natural Science Foundation of China (Nos. 22072164, 51932005, 21773269, 52161145403)Liao Ning Revitalization Talents Program (No. XLYC1807175)the Research Fund of SYNL
文摘Relying on the electron energy loss spectrum(EELS)of metallic elements to obtain microstructure analysis is an investigation method of the reaction mechanisms of transition metal oxides(TMOs)in catalysis,energy storage and conversion.However,the low signal from K shell owing to insufficient electron beam energy,and the complicated electronic structure in L shell of the metal element restrict the analysis of the coordination environment of the TMOs.Herein,density functional theory(DFT)calculation,Fourier transform(FT)and wavelet transform(WT)were employed to probe the relationship between the four individual peaks in O K-edge spectra of iron oxides and the microstructure information(chemical bonds and atomic coordination).The findings show that the peak amplitude ration is in a linear correlation with the valence state of Fe element,and that the coordination number obtained by radial distribution function(RDF)is favorably linearly correlative with that from the standard coordination structure model.As a result,the quantitative analysis on the change of valence state and atomic coordination in microstructure can be realized by EELS O K-edge spectra.This study establishes EELS O K-edge spectrum as a promising pathway to quantitatively analyze the valence state and atomic coordination information of TMOs,and offers an effective method to conduct microstructure analysis via the EELS spectra of the non-metal element.
