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Revisiting the single-step synthesis of quantum dots:The hidden ligand-promoted surface reaction channels

Nano Research 2023年第4期16卷 5817-5825页

作者： Qiyu Yu Jiaxin Song Ke Li Lili Xiao College of Materials Science and Engineering Sichuan University of Science and EngineeringZigong 643000China Key Laboratory of Material Corrosion and Protection of Sichuan Province Zigong 643000China College of Physics Sichuan UniversityChengdu 610065China

In this work,we revisited the single-step synthesis of CdE(E=S,Se,and Te)quantum dots(QDs).Powdered CdO and elemental chalcogen were directly used for heating-up ***,the in situ dissolution of the solid precursors and related QD formation channels were preliminarily *** general,QDs were generated from homogeneous reactions between dissolved cadmium and chalcogen precursors in bulk *** found that,during single-step synthesis,both the dissolution of CdO and selenium proceeded faster than their ex situ dissolution *** explain this result,we proposed the existence of extra surface reaction channels for QD *** is,QDs could also be generated via on-surface reactions between the solid precursors and the dissolved counter precursors(as“ligands”).The happening of these extra surface reactions would increase the overall dissolution rate of CdO and ***,the circulation of oleic acid which is peculiar to such single-step synthesis should also partly account for the accelerated dissolution of ***,by comparing with two-step synthesis using pre-dissolved CdO,we presented that such single-step synthesis was reliable in making uniform CdE QDs with good *** work reaffirmed the great potential of this single-step strategy in cost-effective synthesis of monodisperse ***,the ligand-promoted surface reaction channels would be applicable in solution-phase synthesis of metal chalcogenide nanocrystals from solid precursors.

关键词： quantum dots reaction channel surface reaction single-step synthesis heating-up synthesis

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Control of reaction channels of CsI molecule by ultra-short laser pulse

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Chinese Physics B 2010年第10期19卷 225-229页

作者：熊德林王美山杨传路童小菲马宁 School of Physics Key Laboratory of Atomic and Molecular Physics of Shandong Province Ludong University

The influence of the ultra-short pulse wavelength on the populations in the three electronic states of CsI molecule is investigated using the time-dependent wave packet method. The calculated results show that the populations in the two excited states approach to the maxima at the wavelengths of 369 nm and 297 nm, respectively. The photodissociation reaction channels of the CsI molecule can be chosen by controlling the pump pulse wavelength.

关键词： pump pulse wavelength time-dependent wave packet method reaction channel CsImolecule

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Mechanisms and Kinetics of Radical reaction of O（^1D,^3P）＋ HCN System

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Chinese Journal of Structural Chemistry 2008年第4期27卷 437-444页

作者：黄玉成杜金艳居学海叶世勇周涛 School of Chemistry and Materials Science Anhui Normal University Department of Chemistry Nanjing University of Science and Technology

The reaction of HCN with O（^1D, ^3p） radical has been investigated by density functional theory （DFT） and ab initio methods. The stationary points on the reaction paths （reactants, intermediates and products） were optimized at the （U）B3LYP/aug-cc-pVTZ level. Single-point calculations were performed at the （U）QCISD（T）/aug-cc-pVTZ level for the optimized structures and all the total energies were corrected by zero-point energy. It is shown that there exist three competing mechanisms of oxygen attacking nitrogen O→N, oxygen attacking carbon O→C and oxygen attacking hydrogen O→H. The rate constants were obtained via Eyring transition-state theory in the temperature range of 600～2000 K. The linear relationship between lnk and 1/T was presented. The results show that path 1 is the main reaction channel and the product of NCO ＋ H is predominant.

关键词： density functional theory reaction channel radical reaction mechanism and kinetics HCN + O

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Two Lower-barrier channels in the reaction of HF with HOBO

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Chinese Chemical Letters 2003年第1期14卷 76-78页

作者： Hai Tao YU Xu Ri HUANG 等 CollegeofChemistryandChemicalEngineering HeilongjiangUniversityHarbin150080 StateKeyLaboratoryofTheoreticalandCOmputationalChemistry InstituteofTheorcticalChemistryJilinUniversity

Two possible lower barrier reaction pathways in the reaction HF+HOBOH2O+FBO are predicated by means of MP2 and CCSD(T) (single-point) methods. In the two channels, two stable intermediates are located, and thus, they are multi-step channels, which are more favorable in energy than direct single-step reaction pathway predicated by previous theoretical study. Therefore, the two pathways should be main reaction channels in experiments.

关键词： ab initio reaction channel HOBO FBO.

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