图2. S9.3I和S正极在固态Li-S电池中的电化学性能。 为了探究S9.3I正极的工作机理,图3a显示了正极在不同荷电状态下的S K-edge XAS测试。S8中的S-Sπ*特性转移到较低的能级,对应于当放电到1.7 V(D-1.7 V)时,短链LiSx的形...
The bonding descriptions of the oxidized dithiolene [N,N-dimethyl piperazine 2,3-dithione (Me 2 Dt 0 )] complexes are probed using S K-edge X-ray absorption spectroscopy (XAS) and the results are correlated to density functional theory (DFT) calculations. These experimentally supported ...
值得注意的是,当SnPc-8F@CNTs用作零间隙膜电极组件(MEA)的阴极催化剂时,在-2.6 V的满电池电压下稳定地提供100 mA cm-2的电流密度,持续200 h,表明其具有很大的实际应用潜力。原位x射线吸收光谱(XAS)和原位衰减全反射红外光谱(ATR-IR)测量以及理论计算表明,吸电子F原子对提高SnPc8F@CNTs的催化活性有显著作用。
X-ray absorption spectroscopy (XAS) at the sulfur ( approximately 2470 eV) and chlorine ( approximately 2822 eV) K-edges has been applied to a series of 4Fe-4S model complexes. These are compared to 2Fe-2S model complexes to obtain insight into the localized ground state in the mixed-vale...
本文研究了轮胎半焦在生物质及其模型化合物热解过程中的催化性能。通过采用XPS,TEM-SAED,XAS,Pyridine-FTIR和NH3-TPD等分析测试手段对新鲜和使用过的催化剂进行了详细的表征,从而阐明了轮胎半焦在生物质挥发分催化过程中的作用机理。主要结论为: 1)...
The S K and L-edge x-ray absorption near-edge structures (XANES) of low bornite, cubanite, chalcocite, covellite, enargite and tetrahedrite have been measured with synchrotron radiation. The near-edge features are interpreted based on comparison with the S K- and L-edge spectra of chalco...
研究人员首先通过液相合成法制备了Cr掺杂的氢氧化镍催化剂。同时，XAS测试证实，Cr成功掺杂到氢氧化镍中并且理论计算进一步证明Cr的掺杂可以有效调节催化剂电子结构，供电基团-NH2会吸附在Cr原子周围，有利于加快尿素分解（图2）。图2. XAS光谱和DFT计算。(A) NEXAFS of Ni L3,2-edge。(B) XANES of Ni K-edge。(...
Jiang, P. Ortiz de Montellano, K.O. Hodgson, B. Hedman, E.I. Solomon S K-edge XAS and DFT calculations on cytochrome P450: covalent and ionic contributions to the cysteine-Fe bond and their contribution to reactivity J. Am. Chem. Soc., 131 (2009), pp. 7869-7878 CrossrefView in ...
XAS at the Mn K-edge was performed at beamline KMC-3 at the BESSY-II synchrotron (Helmholtz Zentrum Berlin) with the storage ring operated in top-up mode (250 or 300 mA), using a standard set-up as described in refs. 25,77. A double-crystal Si[111] monochromator was used for en...
Systematic Mn d-configuration change in the La1-xCaxMnO3 system: A Mn Kedge XAS study Kedge Business School : Ecole de Commerce et Management Size-dependent Kedge EXAFS study of the structure of free Ar clusters Coordination of Ti in crystalline and glassy fresnoites: A high-resolution XANES...