利用复杂晶体化学键的平均能带模型研究了LaMAl11O19(M =Mg ,Fe)晶体的化学键性质。结果表明 ,La O键只有 3%的共价性 ,4f1格位却具有很强的共价特征。晶体中各格位共价次序为 :La O <Al(5) O <Al(1) O <Al(4 ) O <Al(2 ...利用复杂晶体化学键的平均能带模型研究了LaMAl11O19(M =Mg ,Fe)晶体的化学键性质。结果表明 ,La O键只有 3%的共价性 ,4f1格位却具有很强的共价特征。晶体中各格位共价次序为 :La O <Al(5) O <Al(1) O <Al(4 ) O <Al(2 ) O <Al(3) O <M O。其中 2d格位和 4e格位具有强的各向异性特征。利用由共价性和极化率定义的化学环境因子h计算了LaFeAl11O19中57Fe的穆斯堡尔同质异能位移和LaMgAl11O19∶Eu中151Eu的同质异能位移 。展开更多
A series of M-substituted hexaaluminates LaMAl11O19-δ （M=Fe, Co, Ni, Mn, and Cu） were prepared and characterized by XRD, XPS, TPR and TGA techniques, respectively. They exhibited different reducibility and catalyti...A series of M-substituted hexaaluminates LaMAl11O19-δ （M=Fe, Co, Ni, Mn, and Cu） were prepared and characterized by XRD, XPS, TPR and TGA techniques, respectively. They exhibited different reducibility and catalytic activity for partial oxidation of methane （POM） to synthesis gas. Among the LaMAl11019-δ samples, LaNiAl11O19-δ showed the best catalytic activity for the topic reaction and selectivity for synthesis gas at 780 ℃ for 2 h. The conversion of CH4 was over 99.2%, and the product selectivity for both CO and H2 was above 90.3%.展开更多
文摘利用复杂晶体化学键的平均能带模型研究了LaMAl11O19(M =Mg ,Fe)晶体的化学键性质。结果表明 ,La O键只有 3%的共价性 ,4f1格位却具有很强的共价特征。晶体中各格位共价次序为 :La O <Al(5) O <Al(1) O <Al(4 ) O <Al(2 ) O <Al(3) O <M O。其中 2d格位和 4e格位具有强的各向异性特征。利用由共价性和极化率定义的化学环境因子h计算了LaFeAl11O19中57Fe的穆斯堡尔同质异能位移和LaMgAl11O19∶Eu中151Eu的同质异能位移 。
基金This work was supported by the Education Department of Jilin Province and Science and Technology office of Siping Municipality.
文摘A series of M-substituted hexaaluminates LaMAl11O19-δ （M=Fe, Co, Ni, Mn, and Cu） were prepared and characterized by XRD, XPS, TPR and TGA techniques, respectively. They exhibited different reducibility and catalytic activity for partial oxidation of methane （POM） to synthesis gas. Among the LaMAl11019-δ samples, LaNiAl11O19-δ showed the best catalytic activity for the topic reaction and selectivity for synthesis gas at 780 ℃ for 2 h. The conversion of CH4 was over 99.2%, and the product selectivity for both CO and H2 was above 90.3%.
