The mean sputter depth depends on the surface composition gradient during ion implantation.For the high fluence ion implantation into a Pt-Cu alloy, the surface composition gradient of Cu is so large that the differen...The mean sputter depth depends on the surface composition gradient during ion implantation.For the high fluence ion implantation into a Pt-Cu alloy, the surface composition gradient of Cu is so large that the difference in mean sputter depth between Pt and Cu, is significant. However, for the high fluence ion implantation into 10B-11B isotope mixture, the surface composition gradient of 10B is so small that the difference in mean sputter depth between 10B and 11B is insignificant.展开更多
Metal-free carbon catalysts with excellent conduction performance have drawn much research attention in reduction reactions.Herein,a N,B co-doped carbon catalyst with high pyrrolic N proportion(35.75%)and excellent su...Metal-free carbon catalysts with excellent conduction performance have drawn much research attention in reduction reactions.Herein,a N,B co-doped carbon catalyst with high pyrrolic N proportion(35.75%)and excellent surface area(1409 m^(2)/g)was successfully prepared via carbonizing covalent organic framework materials(COFs)containing N and B atoms assisted by ZnCl_(2)molten salt.The presence of ZnCl_(2)maintains the micropore structure of COFs to provide high specific surface areas and abundant lattice defects for carbon materials.In addition,electron-withdrawing B heteroatom further facilitates the formation of pyrrolic N at defect sites by modifying the electronic structure of carbon network.The tuning of surface areas and active N species in carbon catalysts successfully improve the selective hydrogenation of nitrobenzene to aniline.The optimized carbon material exhibits excellent nitrobenzene conversion(99.9%)and aniline selectivity(>99%)within 15 min,as well as excellent substrate suitability.This work provides a certain guiding for the design and application of metal-free catalysis.展开更多
Geometries, energies, and vibrational frequencies for two C4N12O4 isomers with pagodane- and isopagodane-like structures have been calculated at the B3LYP/6-31G＊ level.Isomers 1 and 2 are of D2h and D2d symmetry, res...Geometries, energies, and vibrational frequencies for two C4N12O4 isomers with pagodane- and isopagodane-like structures have been calculated at the B3LYP/6-31G＊ level.Isomers 1 and 2 are of D2h and D2d symmetry, respectively. Heats of formation for the two C4N12O4 isomers have been estimated in this paper, indicating they would be reasonable candidates for high energy density materials.展开更多
文摘The mean sputter depth depends on the surface composition gradient during ion implantation.For the high fluence ion implantation into a Pt-Cu alloy, the surface composition gradient of Cu is so large that the difference in mean sputter depth between Pt and Cu, is significant. However, for the high fluence ion implantation into 10B-11B isotope mixture, the surface composition gradient of 10B is so small that the difference in mean sputter depth between 10B and 11B is insignificant.
基金National Natural Science Foundation of China(Nos.21776129 and 21706121)Natural Science Foundation of Jiangsu Province(No.BK20170995)+1 种基金Postgraduate Research&Practice Innovation Program of Jiangsu Province(No.KYCX211171)the Project of Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)。
文摘Metal-free carbon catalysts with excellent conduction performance have drawn much research attention in reduction reactions.Herein,a N,B co-doped carbon catalyst with high pyrrolic N proportion(35.75%)and excellent surface area(1409 m^(2)/g)was successfully prepared via carbonizing covalent organic framework materials(COFs)containing N and B atoms assisted by ZnCl_(2)molten salt.The presence of ZnCl_(2)maintains the micropore structure of COFs to provide high specific surface areas and abundant lattice defects for carbon materials.In addition,electron-withdrawing B heteroatom further facilitates the formation of pyrrolic N at defect sites by modifying the electronic structure of carbon network.The tuning of surface areas and active N species in carbon catalysts successfully improve the selective hydrogenation of nitrobenzene to aniline.The optimized carbon material exhibits excellent nitrobenzene conversion(99.9%)and aniline selectivity(>99%)within 15 min,as well as excellent substrate suitability.This work provides a certain guiding for the design and application of metal-free catalysis.
基金This work was supported by the Natural Science Foundation of Shandong Province (Y2002G11)
文摘Geometries, energies, and vibrational frequencies for two C4N12O4 isomers with pagodane- and isopagodane-like structures have been calculated at the B3LYP/6-31G＊ level.Isomers 1 and 2 are of D2h and D2d symmetry, respectively. Heats of formation for the two C4N12O4 isomers have been estimated in this paper, indicating they would be reasonable candidates for high energy density materials.
