Calculation of the Ionization Energy of a Donor Atom near a Semiconductor Surface 半导体表面附近施主原子电离能计算
A numerical method for calculating transmission of an electron penetrating arbitrary potential barriers is adopted to obtain the resonance energy levels, wave functions and transmission coefficient when a donor atom is in the well of a double barrier structure. 采用计算穿越任意势之透射系数的数值计算方法,得到了在双势垒阱区中有正电杂质时电子隧穿的共振能级、波函数、透射系数。
The pharmacophore included a hydrogen bond receptor, a hydrogen bond donor, a hydrophobic area and a phenyl ring with a chlorine or a bromine atom. 药效团包括一个氢键受体,一个氢键给体,一个疏水区和一个带有氯或溴原子的苯环。
The crystal structure indicates that the Ni~ ( 2+) has a distorted octahedral geometry, in which the two primary ligands participate in coordination with two O and two N atoms and the secondary ligand takes part in bonding with N donor atom. 晶体结构分析表明,Ni2+具有畸变的八面体配位构型,配位原子分别来自两个二齿配体糠醛水杨酰腙的两个氧原子和两个氮原子以及两个配位吡啶的氮原子。
By population analysis the hydrogen bonding is found between the electron donor O atom and the electron acceptor H atom. 通过电子布居分析,发现在电子给予体O原子和电子接受体H原子间存在氢键。
Comparing the results with the quantum transmission without donor atoms in the double barriers, the influence of the donor atom on quantum transmission is discussed in detail. 通过与无杂质原子的双势垒量子隧穿情形对比,详细讨论了杂质原子对量子隧穿的影响。
Hydrogen donor can provide active hydrogen atom to postpone or control the forming of the second liquid phase and effectively restrain the coking when catalyst and hydrogen were absent. 供氢剂在无催化剂和氢气存在条件下,可提供活性氢原子推迟或阻止第二液相的形成,有效抑制生焦;
At low bias, the introduction of the donor atom nitrogen and acceptor atom boron can weaken the electron transport, especially the acceptor doping significantly suppresses the electron transport. 在低偏压下,引入的给体原子N和受体原子B都削弱了C60的电子输运,特别是B原子掺杂对电子输运有重要的抑制作用。
The characteristics of ITO films strongly depend on its oxidation state and the content of impurities. Carrier concentration can be modified by the dopant activation state, which is due to a donor atom to substitute the lattice site and produce some free electrons to increase carrier concentration. ITO薄膜的性能主要依赖于其氧化态以及掺杂的浓度,载流子浓度可以通过掺杂进行调节,掺杂施主原子的取代可以提供自由电子而提高载流子浓度。
Thiocyanate is a perfect ligand with a polarizable π system and two different donor atoms nitrogen atom and sulfur atom. Either nitrogen or sulfur atom can coordinate to metals. 硫氰酸根是一种拥有N原子和S原子两个不同给体的极化的π体系的理想配体,无论是氮还是硫原子都可以与金属配位并形成金属配合物。