1) α-Al2O3(0001) surface
a-Al2O3(0001)表面
1.
The dynamic absorption of A1N on α-Al2O3(0001) surfaces was theoretically simulated with the plane wave ultra soft pseudo-potential model,based on electron density functional theory,to understand physical values,including the adsorption energy,bond formation and bonding orientation of A1N molecules.
采用基于密度泛函理论的平面波超软赝势法,对α-Al2O3(0001)表面吸附AlN进行了动力学模拟计算,研究了AlN分子在a-Al2O3(0001)表面吸附成键过程、吸附能量与成键方位。
2) α-Al_2O_3(0001)surface
α-Al2O3(0001)表面
1.
With the temperature increasing,the average diffusivity of the particles at α-Al_2O_3(0001)surface is enhanced in the bonding process.
在较高温度条件下(大于700℃),N的解吸附作用明显增强,不利于AlN的稳定吸附生长,500—700℃之间的温度有利于AlN在α-Al2O3(0001)表面的稳定吸附生长。
3) TiB2(0001) surface
TiB2(0001)表面
5) Mg(0001) surface
Mg(0001)表面
1.
By the first-principles calculations method based on the density functional theory, H2 adsorption and dissociation proper-ties on clean, vacancy defective and Pd atom coadsorption Mg(0001) surfaces are investigated systematically.
采用基于密度泛函理论的第一原理计算方法,研究了氢分子(H2)在清洁、空位缺陷及Pd原子吸附的Mg(0001)表面的吸附与解离性能。
6) GaN (0001) surface
GaN(0001)表面
补充资料：[3-(aminosulfonyl)-4-chloro-N-(2.3-dihydro-2-methyl-1H-indol-1-yl)benzamide]
分子式：C16H16ClN3O3S
分子量：365.5
CAS号：26807-65-8
性质：暂无
制备方法：暂无
用途：用于轻、中度原发性高血压。
分子量：365.5
CAS号：26807-65-8
性质：暂无
制备方法：暂无
用途：用于轻、中度原发性高血压。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条