Relation between Zr~ ( 4+) Charge Transfer Energy and Average Energy Gap of Host in Inorganic Compounds 无机晶体中Zr~(4+)电荷迁移能与基质平均能隙关系
And factors of photocatalytic influence including charge transfer energy 、 B-O bonding energy 、 B atom electrongativity 、 valence of A and B atom 、 electronic conformation and doping were also discussed. 分析了电荷转移能、B-O的结合能、B原子电负性、A、B原子价态、电子构型、掺杂等因素对催化剂光催化效率的影响。
A self-consistent Green function calculation of the adatom charge transfer(Δ p) andthe chemisorption energy(Δ E) is performed for hydrogen on ⅲ-V compound substrates, which are modeled by semi-infinite alternating s  ̄-and p  ̄-orbital chains. 本文应用格林函数方法计算氢在一组Ⅲ-Ⅴ族化合物半导体上的化学吸附能(ΔE)和衬底向吸附原子的电荷转移(Δq)。
There is one charge-transfer state for the ( molecule) at low energy regime. 计算结果表明,在低能量范围内,二茂铁分子存在一个电荷转移态。
This shows that the emission mainly come from perylene, and it exists an efficient energy transfer or charge transfer process occurring between PVK and perylene, it is found that energy transfer from PVK to perylene is not agreement with experiment. 分析PVK和perylene之间可能发生的能量转移过程,认为从PVK到perylene这种能量转移与实验不符;
Ester as substituent leads the negative charge transfer to electron-Withdrawing group, the effective conjugation length and dipole moment difference becomes small. Energy gap is enlarged, and thus the absorption spectral nature exhibits blue-shift significantly. 结果表明分子的前线轨道与分子的激发态结构关系密切,酯键取代导致电荷向吸电子基团移动,化合物的有效共轭长度缩短,偶极矩差变小,能隙变大,光谱明显蓝移。
Because the graphite electrode dominates interfacial charge transfer resistance and its activation energy, lithium trends to be plating on the graphite, causing irreversible capacity loss for a cell during a charge process at low temperatures. 由于石墨界面主导了离子转移电阻及活化能,导致低温下电芯充电时,负极表面容易析锂,造成不可逆容量损失。