The SET mechanism between chlorine dioxide （ClO2） and phenol was studied by using ab initio method at 4-31G* level. Geometries of the reactants, intermediate and products of the reaction were optimized and the singl...The SET mechanism between chlorine dioxide （ClO2） and phenol was studied by using ab initio method at 4-31G* level. Geometries of the reactants, intermediate and products of the reaction were optimized and the single point energy calculations of the species were performed. The relative structure data of the reactants, intermediate and products are given.The SET mechanism between ClO2and phenol was confirmed by ab initio calculations. The reaction is exothermic about 200 88 kJ/mol.展开更多
We propose a novel analytical model to describe the drain-source current as well as gate-source of single-electron transistors (SETs) at high temperature. Our model consists on summing the tunnel current and thermioni...We propose a novel analytical model to describe the drain-source current as well as gate-source of single-electron transistors (SETs) at high temperature. Our model consists on summing the tunnel current and thermionic contribution. This model will be compared with another model.展开更多
在研究单电子晶体管(single electron transistor,SET)Ⅰ—Ⅴ特性的基础上，依据分区处理法，设计了一个SET积分器电路，并采用级联方法实现了一个SET／CMOS二阶低通滤波器。仿真结果表明，该滤波器的幅频特性增益比采用其它方法描述SET...在研究单电子晶体管(single electron transistor,SET)Ⅰ—Ⅴ特性的基础上，依据分区处理法，设计了一个SET积分器电路，并采用级联方法实现了一个SET／CMOS二阶低通滤波器。仿真结果表明，该滤波器的幅频特性增益比采用其它方法描述SET Ⅰ—Ⅴ特性所构成的滤波器的幅频特性增益高出1倍多。展开更多
Alkyl chlorides are abundant and easily accessible starting materials.However,due to the high reduction potentials associated with unactivated alkyl chlorides,achieving their single electron reduction remains a persis...Alkyl chlorides are abundant and easily accessible starting materials.However,due to the high reduction potentials associated with unactivated alkyl chlorides,achieving their single electron reduction remains a persistent challenge.This challenge has spurred the exploration of efficient activation methods to overcome this issue.In recent years,photocatalysis has emerged as a mild and potent tool for the single electron reduction of unactivated alkyl chlorides,opening up new possibilities in this field.Considering the rapid advancements in this area,a comprehensive review that provides a conceptual understanding of this emerging field,with a specific focus on reaction design and catalytic mechanisms,would be timely and highly valuable.Hence,we present an overview of various synthetic techniques for photoinduced single electron reduction of unactivated alkyl chlorides.Furthermore,we also discuss the limitations of the present methods and future directions that lie ahead in this field.展开更多
Piperidine absorbs CO2 and H2O in air to form a molecular complex： piperidium-l-piperidinecarboxylate-H2O. The structure of the complex was characterized by X-ray single crystal diffraction. The crystal structure was...Piperidine absorbs CO2 and H2O in air to form a molecular complex： piperidium-l-piperidinecarboxylate-H2O. The structure of the complex was characterized by X-ray single crystal diffraction. The crystal structure was determined to be triclinic, space group P1^-with a=0.648 6（8） nm, b=0.809 200） nm, c= 1.357 1（16） nm, a=96.96706）°, β =102.506（15）°,γ=104.202 05）°, Z=2. The complex is stabilized via five hydrogen bonds between the three components, N-O electrostatic interaction and O-O interaction （electron transfer） betweenl-piperidinecarboxylate and H2O. Due to electron transference of carbamate ion, the oxygen atom in water molecule is strongly negatively charged and the O-H bond is considerably shorter than that of the free molecule of water. The formation of the molecular complex is a reversible process and will decompose upon heating. The mechanism of formation and stabilization is further investigated herein.展开更多
In this paper a projectile ion-recoil ion coincidence technique is used to investigate the transfer ionization processes in collisions of 0.22-6.30 MeV Cq＋ ions and 0.25-6.35 MeV 0q＋ ions （q=1, 2, 3, 4） with the H...In this paper a projectile ion-recoil ion coincidence technique is used to investigate the transfer ionization processes in collisions of 0.22-6.30 MeV Cq＋ ions and 0.25-6.35 MeV 0q＋ ions （q=1, 2, 3, 4） with the He atom separately. The cross section ratio f of transfer ionization to single electron transfer is measured, and the dependence of f on both charge state q and energy E of the projectiles is investigated. The electron-structure and the mechanisms leading to transfer ionization affect the dependence of f on q and E. Our measurements, along with other data published previously, suggest a similar dependence of f on charge state and energy of projectile for partially stripped ions over a large energy range. The maximum value of f is approximately 0.17q^0.60; the energy corresponding to maximum f is about 160q^0.60 keV/u.展开更多
文摘The SET mechanism between chlorine dioxide （ClO2） and phenol was studied by using ab initio method at 4-31G* level. Geometries of the reactants, intermediate and products of the reaction were optimized and the single point energy calculations of the species were performed. The relative structure data of the reactants, intermediate and products are given.The SET mechanism between ClO2and phenol was confirmed by ab initio calculations. The reaction is exothermic about 200 88 kJ/mol.
文摘We propose a novel analytical model to describe the drain-source current as well as gate-source of single-electron transistors (SETs) at high temperature. Our model consists on summing the tunnel current and thermionic contribution. This model will be compared with another model.
文摘在研究单电子晶体管(single electron transistor,SET)Ⅰ—Ⅴ特性的基础上，依据分区处理法，设计了一个SET积分器电路，并采用级联方法实现了一个SET／CMOS二阶低通滤波器。仿真结果表明，该滤波器的幅频特性增益比采用其它方法描述SET Ⅰ—Ⅴ特性所构成的滤波器的幅频特性增益高出1倍多。
基金supported by the National Natural Science Foundation of China (22001248)the Fundamental Research Funds for the Central Universitiesthe University of the Chinese Academy of Sciences。
文摘Alkyl chlorides are abundant and easily accessible starting materials.However,due to the high reduction potentials associated with unactivated alkyl chlorides,achieving their single electron reduction remains a persistent challenge.This challenge has spurred the exploration of efficient activation methods to overcome this issue.In recent years,photocatalysis has emerged as a mild and potent tool for the single electron reduction of unactivated alkyl chlorides,opening up new possibilities in this field.Considering the rapid advancements in this area,a comprehensive review that provides a conceptual understanding of this emerging field,with a specific focus on reaction design and catalytic mechanisms,would be timely and highly valuable.Hence,we present an overview of various synthetic techniques for photoinduced single electron reduction of unactivated alkyl chlorides.Furthermore,we also discuss the limitations of the present methods and future directions that lie ahead in this field.
基金Supported by Project of Education Department of Liaoning Province(20040084)
文摘Piperidine absorbs CO2 and H2O in air to form a molecular complex： piperidium-l-piperidinecarboxylate-H2O. The structure of the complex was characterized by X-ray single crystal diffraction. The crystal structure was determined to be triclinic, space group P1^-with a=0.648 6（8） nm, b=0.809 200） nm, c= 1.357 1（16） nm, a=96.96706）°, β =102.506（15）°,γ=104.202 05）°, Z=2. The complex is stabilized via five hydrogen bonds between the three components, N-O electrostatic interaction and O-O interaction （electron transfer） betweenl-piperidinecarboxylate and H2O. Due to electron transference of carbamate ion, the oxygen atom in water molecule is strongly negatively charged and the O-H bond is considerably shorter than that of the free molecule of water. The formation of the molecular complex is a reversible process and will decompose upon heating. The mechanism of formation and stabilization is further investigated herein.
文摘In this paper a projectile ion-recoil ion coincidence technique is used to investigate the transfer ionization processes in collisions of 0.22-6.30 MeV Cq＋ ions and 0.25-6.35 MeV 0q＋ ions （q=1, 2, 3, 4） with the He atom separately. The cross section ratio f of transfer ionization to single electron transfer is measured, and the dependence of f on both charge state q and energy E of the projectiles is investigated. The electron-structure and the mechanisms leading to transfer ionization affect the dependence of f on q and E. Our measurements, along with other data published previously, suggest a similar dependence of f on charge state and energy of projectile for partially stripped ions over a large energy range. The maximum value of f is approximately 0.17q^0.60; the energy corresponding to maximum f is about 160q^0.60 keV/u.
