A STUDY ON THE INTERACTION BETWEEN CH_3OH AND H_2CO MOLECULES IN TERMS OF THE PROPERTIES OF CHARGE DENSITY DISTRIBUTIONS

Two possible complexes formed by the interaction of CH_3OH and H_2CO,one hydrogen-bonded (Ⅰ)and one donor-acceptor complex(Ⅱ),have been reported in the previous paper.Based on the ab initio 6-31G basis set calculations,the properties of the charge density for the complexeshave been analyzed using the theory of atoms in molecules.The nature of the complex formation has been discussed in terms of the properties of the charge density distributions.

Distributing Characteristics of the Charge on the Bomb Body with Capacitance Fuze

For establishing the equation of the capacitive target detection accurately, the distributing characteristics of the charges on the bomb body with capacitance fuze were explored. Continuous charges were analyzed dispersively. Based on the Coulomb's law, the dynamic equilibrium equations of the inducing charges on the bomb body were set up. For the four cases of d 0/L (the ratio between the electrode distance and the bomb length), the curves of the charge's distribution were given. It was concluded that: ① the charge density decreases steadily from the end near the frontal electrode to the bomb tail; ② the declining rate of the density is governed by d 0/L , the larger the value of d 0/L ,the higher the declining rate, and vice versa.

Numerical Simulation to Evaluate the Effects of Upward Lightning Discharges on Thunderstorm Electrical Parameters

A theoretical discussion of the discharge effects of upward lightning simulated with a fine-resolution 2D thunderstorm model is performed in this paper,and the results reveal that the estimates of the total induced charge on the upward lightning discharge channels range from 0.67 to 118.8 C,and the average value is 19.0 C,while the ratio of the induced charge on the leader channels to the total opposite-polarity charge in the discharge region ranges from 5.9%to 47.3%,with an average value of 14.7%.Moreover,the average value of the space electrostatic energy consumed by upward lightning is 1.06×10^9 J.The above values are lower than those related to intracloud lightning discharges.The density of the deposited opposite-polarity charge is comparable in magnitude to that of the preexisting charge in the discharge area,and the deposition of these opposite-polarity charges rapidly destroys the original space potential well in the discharge area and greatly reduces the space electric field strength.In addition,these opposite-polarity charges are redistributed with the development of thunderstorms.The space charge redistribution caused by lightning discharges partly accounts for the complexity of the charge structures in a thunderstorm,and the complexity gradually decreases with the charge neutralization process.

Filterless narrowband photodetectors enabled by controllable band modulation through ion migration: The case of halide perovskites

Narrowband photodetectors conventionally rely on optical structure design orbandpass filters to achieve the narrowband regime. Recently, a strategy forfilterless narrowband photoresponse based on the charge collection narrowing(CCN) mechanism was reported. However, the CCN strategy requires an electrically and optically “thick” photoactive layer, which poses challenges in controlling the narrowband photoresponse. Here we propose a novel strategy forconstructing narrowband photodetectors by leveraging the inherent ion migration in perovskites, which we term “band modulation narrowing” (BMN). Bymanipulating the ion migration with external stimuli such as illumination,temperature, and bias voltage, we can regulate in situ the energy-band structure of perovskite photodetectors (PPDs) and hence their spectral response.Combining the Fermi energy levels obtained by the Kelvin probe force microscopy, the internal potential profiles from solar cell capacitance simulator simulation, and the anion accumulation revealed by the transient ion-drifttechnique, we discover two critical mechanisms behind our BMN strategy: theextension of an optically active but electronically dead region proximal to the top electrode and the down-bending energy bands near the electron transportlayer. Our findings offer a case for harnessing the often-annoying ionmigration for developing advanced narrowband PPDs.

A description of nitrogen-nitrogen bond in terms of charge distributions

A theoretical analysis of properties of the shared interactions between two neighbouring nitrogen atoms in a variety of compounds is presented, based on properties of charge distributions derived from 6-31 ++G** wave functions. Bond is characterized in terms of its bond order, bond ellipticity and the quantity of Laplacian of p at the bond critical point. The difference between the bond path angle and the corresponding geometrical angle provides a measure of the degree of relaxation for the charge density away from the geometrical constraints imposed by the nuclear framework. Comparisons have been made between the nitrogen-containing compounds and isoelectronic hydrocarbons. Values of the NN bond energies, based on the properties of NN bond interatomic surface, are determined in three schemes.