基于第一性原理的Fe （111）/Al 2O 3（0001 ）界面稳定性研究王浦璠， 邓道繁， 陈果， 张慧宁， 廖春发* （江西理工大学材料冶金化学学部，江西 赣州 341000）摘要：稀贵金属催化剂催化甲烷分解效果显著但成本较高，为此，探寻低成本催化剂是实现其工业化推广的重要课题。铁基催化剂具有耐高温、价格低、性能好...
111、110是指的晶体结构中晶胞的晶面
scf收敛标准没必要1e-13，无特定情况Fe做DFT+U也不是必要的。嗯，我最开始的收敛标准是10d-8，...
运用广义梯度密度泛函理论方法(density functional theory,DFT),结合周期性平板模型,研究了CH4在Fe(111)面上的解离。计算结果表明,在Fe(111)面上,CH4的第一步解离是反应的决速步,其活化能垒约为1.02eV,比Ni(111)面上CH4解离的活化能低0.34eV,说明CH4在Fe(111)面上更容易解离生成C。根据计算结果,我们可以预测,...
MITSUBISHI FE111 FM516 size Z=42t diameter=105.5mm height=9.9mm weight=113g oem no ME601845 Packaging and delivery Packaging Details Parts be packed by pvc bag and be loaded into carton, and then the cartones be loaded into cartpn box Port xiamen Supply Ability Supply Ability 10000 Piece...
ITEM Canter FE111 Rear Wheel Bolt Material & Grade 40 Cr & 10.9 Size M19*1.5/M19*1.5*77 mm Surface Treatment Phosphated Grey/Black Color, Zin Plated Silver/Golden Color,Dacromet 2.MAIN PRODUCTS 3.COMPANY INFOMATION 4. WORKSHOP & PRODUCT FLOW 5.PACKING & SHIPPING Payment Te...
(111) surface.In the subsurface region,the carbon atom prefers the octahedral site.The barriers for diffusion on and into the Fe(111) surface and subsurface are 0.45 eV and 0.73 eV,respectively.Actually,C2 formation is thermodynamically favored,whereas C migration into the subsurface region is ...
Epitaxial body-centered cubic Mo and Cr films have been grown on the (111) surface of α–Fe films on Si(111) at 300 and 575 K by electron beam evaporation in ultrahigh vacuum. X-ray diffraction and transmission electron microscopy show that the Mo films are oriented with the (111) plan...
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The hexadecimal color code #fe111f is a shade of pink-red. In the RGB color model #fe111f is composed of 99.61% red, 6.67% green and 12.16% blue. In the HSL color space #fe111f has a hue of 356° (degrees), 99% saturation and 53% lightness. This color has an approximate wave...