The reaction of[CpMo(CO)_2]_2 with 8,8'-diquinolyl disulphide C_9H_6NSSNC_9H_6 resulted in the cleavage of Mo≡Mo triple bond to give a new nononuclear complex CpMo(CO)_2(N,S-C_9H_6NS)which was refluxed with PPh_3...The reaction of[CpMo(CO)_2]_2 with 8,8'-diquinolyl disulphide C_9H_6NSSNC_9H_6 resulted in the cleavage of Mo≡Mo triple bond to give a new nononuclear complex CpMo(CO)_2(N,S-C_9H_6NS)which was refluxed with PPh_3 in THF to form the title complex.The crystal structure of the title complex was determined by X-ray diffraction.展开更多
We present nonadiabatic quantum dynamical calculations on the two coupled potential energy surfaces （12A＇ and 22A＇） [J. Theor. Comput. Chem. 8, 849 （2009）] for the reaction. Initial state-resolved reaction proba...We present nonadiabatic quantum dynamical calculations on the two coupled potential energy surfaces （12A＇ and 22A＇） [J. Theor. Comput. Chem. 8, 849 （2009）] for the reaction. Initial state-resolved reaction probabilities and cross sections for the N＋ND→N2＋D reaction and N＇＋ND→N＋N＇D reaction for collision energies of 5 meV to 1.0 eV are determined, respectively. It is found that the N＋ND→N2＋D reaction is dominated in the N＋ND reaction. In addition, we obtained the rate constants for the N＋ND→N2＋D reaction which demand further experimental investigations.展开更多
Developing high-performance non-precious metal electrocatalysts for oxygen reduction reaction(ORR)is crucial for the commercialization of fuel cells and metal-air batteries.However,doped carbon-based materials only sh...Developing high-performance non-precious metal electrocatalysts for oxygen reduction reaction(ORR)is crucial for the commercialization of fuel cells and metal-air batteries.However,doped carbon-based materials only show good ORR activity in alkaline medium,and become less effective in acidic environment.We believe that an appropriate combination of both ionic and electronic transport path,and well dopant distribution of doped carbon-based materials would help to realize high ORR performance un-der both acidic and alkaline cond让ions.Accordingly,a nitrogen and sulfur co-doped carbon framework with hierarchical through-hole structure is fabricated by morphology-controlled solid-state pyrolysis of poly(aniline-co-2-ami no thiophenol)foam.The uniform high concentrations of nitrogen and sulfur,high intrinsic conductivity,and integrated three dimensional ionic and electronic transfer passageways of the 3D porous structure lead to synergistic effects in catalyzing ORR.As a result,the limiting current density of the carbonized poly(aniline-co-2-aminothiophenol)foam is equivalent to commercial Pt/C in acidic environment,and twice the latter in alkaline medium.展开更多
<正>A mathematical method was developed to calculate the yield,energy spectrum and angular distribution of neutrons from D(d,n)~3He(D-D)reaction in a thick deuterium-titanium target for incident deuterons in ene...<正>A mathematical method was developed to calculate the yield,energy spectrum and angular distribution of neutrons from D(d,n)~3He(D-D)reaction in a thick deuterium-titanium target for incident deuterons in energies lower than 1.0MeV.The data of energy spectrum and angular distribution were applied to set up the neutron source model for the beam-shaping-assembly(BSA)design of Boron-Neutron-Capture-Therapy(BNCT)using MCNP-4C code. Three cases of D-D neutron source corresponding to incident deuteron energy of 1000,400 and 150 key were inves- tigated.The neutron beam characteristics were compared with the model of a 2.45 MeV mono-energetic and isotropic neutron source using an example BSA designed for BNCT irradiation.The results show significant differences in the neutron beam characteristics,particularly the fast neutron component and fast neutron dose in air,between the non-isotropic neutron source model and the 2.5 MeV mono-euergetic and isotropic neutron source model.展开更多
Knowledge of actinides(n,f) fission process induced by neutron is of importance in the field of nuclear power and nuclear engineering,especially for reactor applications.In this work,fission characteristics of^(238)U(...Knowledge of actinides(n,f) fission process induced by neutron is of importance in the field of nuclear power and nuclear engineering,especially for reactor applications.In this work,fission characteristics of^(238)U(n,f) reaction induced by D-T neutron source were simulated with Geant4 code from multiple perspectives,including the fission production yields,total nubar,kinetic energy distribution,fission neutron spectrum and cumulative γ-ray spectrum of the fission products.The simulation results agree well with the experimental nuclear reaction data(EXFOR) and evaluated nuclear data(ENDF).Mainly,this work was to examine the rationality of the parametric nuclear fission model in Geant4 and to direct our future experimental measurements for the cumulative fission yields of ^(238)U(n,f) reaction.展开更多
文摘The reaction of[CpMo(CO)_2]_2 with 8,8'-diquinolyl disulphide C_9H_6NSSNC_9H_6 resulted in the cleavage of Mo≡Mo triple bond to give a new nononuclear complex CpMo(CO)_2(N,S-C_9H_6NS)which was refluxed with PPh_3 in THF to form the title complex.The crystal structure of the title complex was determined by X-ray diffraction.
基金This work was supported by the National Basic Research Program of China （No.2007CB815202） and the National Natural Science Foundation of China （No.20721004 and No.20833008）.
文摘We present nonadiabatic quantum dynamical calculations on the two coupled potential energy surfaces （12A＇ and 22A＇） [J. Theor. Comput. Chem. 8, 849 （2009）] for the reaction. Initial state-resolved reaction probabilities and cross sections for the N＋ND→N2＋D reaction and N＇＋ND→N＋N＇D reaction for collision energies of 5 meV to 1.0 eV are determined, respectively. It is found that the N＋ND→N2＋D reaction is dominated in the N＋ND reaction. In addition, we obtained the rate constants for the N＋ND→N2＋D reaction which demand further experimental investigations.
基金financial support by the National Natural Science Foundation of China (Grant: 51333008)Young Teacher Training Program of Sun Yat-sen University (Grant: 17lgpy86)
文摘Developing high-performance non-precious metal electrocatalysts for oxygen reduction reaction(ORR)is crucial for the commercialization of fuel cells and metal-air batteries.However,doped carbon-based materials only show good ORR activity in alkaline medium,and become less effective in acidic environment.We believe that an appropriate combination of both ionic and electronic transport path,and well dopant distribution of doped carbon-based materials would help to realize high ORR performance un-der both acidic and alkaline cond让ions.Accordingly,a nitrogen and sulfur co-doped carbon framework with hierarchical through-hole structure is fabricated by morphology-controlled solid-state pyrolysis of poly(aniline-co-2-ami no thiophenol)foam.The uniform high concentrations of nitrogen and sulfur,high intrinsic conductivity,and integrated three dimensional ionic and electronic transfer passageways of the 3D porous structure lead to synergistic effects in catalyzing ORR.As a result,the limiting current density of the carbonized poly(aniline-co-2-aminothiophenol)foam is equivalent to commercial Pt/C in acidic environment,and twice the latter in alkaline medium.
文摘<正>A mathematical method was developed to calculate the yield,energy spectrum and angular distribution of neutrons from D(d,n)~3He(D-D)reaction in a thick deuterium-titanium target for incident deuterons in energies lower than 1.0MeV.The data of energy spectrum and angular distribution were applied to set up the neutron source model for the beam-shaping-assembly(BSA)design of Boron-Neutron-Capture-Therapy(BNCT)using MCNP-4C code. Three cases of D-D neutron source corresponding to incident deuteron energy of 1000,400 and 150 key were inves- tigated.The neutron beam characteristics were compared with the model of a 2.45 MeV mono-energetic and isotropic neutron source using an example BSA designed for BNCT irradiation.The results show significant differences in the neutron beam characteristics,particularly the fast neutron component and fast neutron dose in air,between the non-isotropic neutron source model and the 2.5 MeV mono-euergetic and isotropic neutron source model.
基金supported by the National Natural Science Foundation of China(No.21327801)
文摘Knowledge of actinides(n,f) fission process induced by neutron is of importance in the field of nuclear power and nuclear engineering,especially for reactor applications.In this work,fission characteristics of^(238)U(n,f) reaction induced by D-T neutron source were simulated with Geant4 code from multiple perspectives,including the fission production yields,total nubar,kinetic energy distribution,fission neutron spectrum and cumulative γ-ray spectrum of the fission products.The simulation results agree well with the experimental nuclear reaction data(EXFOR) and evaluated nuclear data(ENDF).Mainly,this work was to examine the rationality of the parametric nuclear fission model in Geant4 and to direct our future experimental measurements for the cumulative fission yields of ^(238)U(n,f) reaction.
