共查询到20条相似文献,搜索用时 15 毫秒
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应用格林函数方法在紧束缚近似下研究了氢在担载金属表面的吸附性质。采用自洽的Anderson-Newns吸附模型,对氢在Pt/ZnO,Cu/ZnO和Ni/ZnO三种担载式复合体系表面的吸附能△E、吸附态能级Ead作了计算,并讨论了金属簿层在ZnO衬底上的沉积厚度及金属-衬底相互作用对氢在该类复合体系表面的吸附性质的影响。计算表明,金属-衬底相互作用越强,氢在Pt(Cu,Ni)/ZnO体系表面的吸附能及电荷转移量越小。金属-衬底相互作用抑制了氢在金属表面的吸附。衬底对金属表面吸附性质的影
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本文用ESR方法研究了金属卟啉在石油加氢脱硫催化剂表面的吸附机理。金属卟啉的模型化合物是VO-TPP,加氢脱硫催化剂是Co-Mo-Al2O3体系。VO-TPP在催化剂表面吸附时,由于中心VO2+离子相对于表面有两种不同取向,从而可能发生两种不同模式的吸附:中心1吸附和中心2吸附。一般情况下由于催化剂表面化学吸附了供电基团H2O、OH-等,只可能发生中心1吸附。催化剂经高温灼烧后,脱除了表面吸附的供电基团,隔绝空气吸附VO-TPP,这时会出现中心2吸附。中心2吸附中卟啉分子与表面的作用比中心1吸附中卟啉分子与表面的作用强。样品暴露空气后,中心2吸附会逐渐转化为中心1吸附。 相似文献
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Chemisorption of atomic hydrogen on the Si(100)2×1 surface has been investigated in detail by using a field ion-scanning tunneling microscope (FI-STM). The results showed that the adsorption geometry changed from the 2×1 monohydride phase to the 1×1 dihydride phase with increasing exposure of hydrogen. The data of desorption of the hydrogen-saturated Si surface showed that on annealing at 670K the surface becomes highly disordered: the 1×1 dihydride structure is eliminated and the 2×1 reconstructed monohydride is also hardly to identify. When the temperature rises to as high as 730 K, the surface is domi-nated by the 2×1 structure with missing dimer rows, and some adatom chains occur on the Si substrate ler-races. We attribute the formation of these atomic chains to an epitaxial growth of Si atoms which are formed by the dissociation of SiHx (x= 1, 2, 3 or 4) compounds on the Si surface. 相似文献
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PHOTOELECTRON SPECTROSCOPIC STUDY OF THE EFFECT OF Cs INTRALAYER ON THE BAND LINEUP OF Ge/InP(100) HETEROJUNCTION 下载免费PDF全文
The formation and band lineup of the Ge/InP(100) interface with or without alkali metal Cs intralayer (IL) are studied by means of X-ray photoemission spectroscopy (XPS) and ultraviolet photoemission spectroscopy (UPS). It is found that the Cs atoms do not react with or diffuse into the subatrate and the Ge overlayer. The thin Cs IL will induce an increase of the valence band offset (ΔEv) for the Ge/InP(100) heterojunction. The changes of ΔEv are proportional to the IL thickness and them saturate for IL thickness of about one half of a monolayer of Cs IL. Without the IL, ΔEv of the Ge/InP(100) heterojunction is equal to 0.70eV, and ΔEv with one half of monolayer IL is up to 0.90eV. These results show that the interface dipole plays a major role in the band lineup at the heterojunction interface. 相似文献
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A STUDY ON THE ULTRASONIC VELOCITY AND ATTENU-ATION IN NdFeB MAGNET WITHIN THE TEMPERATURE RANGE OF 80 - 300K (Ⅱ) 下载免费PDF全文
Based on the ultrasonic measurements of an isotropic NdFeB magnet in the temperature range of 77 -300 K, it was found that the elastic parameters, such as Young's modulus E, and Poisson ratio v, change abruptly near the spin reorientation temperature Tsr. This indicates that soft mode emerges in the process of spin reorientation. Thermal hysteresis was observed during heating-up and cooling-down processes. Both Debye temperature and heat capacity were calculated, which suggests that the magnetic entropy of the Nd-sublattice is larger in easy-cone state than in easy-axis state. 相似文献
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本文中用自洽总能量密度泛函集团方法研究了Ⅶ族的Ⅰ在Si(111)和Ge(111)表面的吸附。分别采用了两种集团模型来模拟顶位和三度位构型,用总能量极小原理确定了吸附的最佳构型和吸附能量,得到顶位比三度位吸附更为稳定的结果,与SEXAFS实验结果一致。本文还计算了Ⅶ族元素F,Cl,Br,I在Si(111)顶位吸附的状态密度,讨论了这系列DOS的变化情况,并与实验或其他理论结果进行了比较,最后还讨论了半经验EHT方法的适用性及限制。
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Wang's theory for determining the approximate configurational partition function of the adsorbed layer is modified in two different ways. One is to assume that the configurational energy should be corrected: the other to advocate that the deficiency due to a wrong expression for the a priori probability of the. central site is more significant.The configurational partition function is evaluated is both methods and the adsorptipn isotherin and the beat of adsorption computed for the case of quadratic lattice With dipole interaction. values for the last two quantities when a uniform continuous distribution of the distant adsorbed particles is assumed are further given for comparison. The second method, which surpasses the first, is compared with Kirkwood's method. in the case of hexagonal lattice with neighbour interaction. Numerical work is also carried out in this case. 相似文献
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We report high-resolution X-ray diffraction studies of combinatorial epitaxial Ge (0 0 1) thin-films with varying doping concentrations of Co and Mn grown on Ge (0 0 1) substrates. The crystalline structure of the epitaxial thin-film has been determined using crystal-truncation rod (CTR) measurements and fitting analysis. By analyzing the fine interference fringes in the CTR intensity profile, strain sensitivity of ∼0.003% has been achieved. Using this method, the evolution of interfacial structures has been quantified as a function of doping concentration. 相似文献
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利用碱金属原子晶体性质导出的经验势能函数,研究了碱金属原子在其固体(100)表面的吸附与自扩散性质。结果发现表面吸附原子的束缚能小子体相原子的束缚能,而吸附高度且大于晶格常数的一半;自扩散的能垒分别为0.42(Li),0.30(Na),0.26(K),0.24(Rb)和0.23eV(Cs)。 相似文献
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