By using a combined method of density functional theory and non-equilibrium Green＇s function formalism,we investigate the electronic transport properties of carbon-doped armchair phosphorene nanoribbons（APNRs）.The ...By using a combined method of density functional theory and non-equilibrium Green＇s function formalism,we investigate the electronic transport properties of carbon-doped armchair phosphorene nanoribbons（APNRs）.The results show that C atom doping can strongly affect the electronic transport properties of the APNR and change it from semiconductor to metal.Meanwhile,obvious negative differential resistance（NDR） behaviors are obtained by tuning the doping position and concentration.In particular,with reducing doping concentration,NDR peak position can enter into m V bias range.These results provide a theoretical support to design the related nanodevice by tuning the doping position and concentration in the APNRs.展开更多
Developing functional additive resistant to space atomic oxygen(AO)irradiation through simple molecular design and chemical synthesis to enhance the lubricating performance of multialkylated cyclopentanes(MACs)oil is ...Developing functional additive resistant to space atomic oxygen(AO)irradiation through simple molecular design and chemical synthesis to enhance the lubricating performance of multialkylated cyclopentanes(MACs)oil is a significant challenge.Herein,sulfur-containing polyhedral oligomere silsesquioxane(POSS)were synthesize via a click-chemistry reaction of octavinyl polyhedral oligomeric with alkyl sulfide.The reduce-friction(RF),anti-wear(AW)properties and anti-AO irradiation of POSS-S-R as MACs base oil additives in atmospheric and simulated space environments were systematically investigated for the first time.Results demonstrate that POSS-S-R not only possesses outstanding anti-AO irradiation capacity but also effectively improves the RF and AW of MACs in atmospheric or simulated space surroundings.This improvement is due to the excellent anti-AO irradiation properties of the POSS structure itself and the high load-carrying ability of silicon-containing and sulfur-containing compounds generated by tribo-chemical reactions,which effectively separates the direct contact of the friction interface.We believe that this synthesized POSS-S-R is a promising additive for space lubricants.展开更多
基金Project supported by the National Natural Science Foundation of China(No.11274096)the University Science and Technology Innovation Team Support Project of Henan Province(No.13IRTSTHN016)+1 种基金the University key Science Research Project of Henan Province(No.16A140043)supported by the High Performance Computing Center of Henan Normal University
文摘By using a combined method of density functional theory and non-equilibrium Green＇s function formalism,we investigate the electronic transport properties of carbon-doped armchair phosphorene nanoribbons（APNRs）.The results show that C atom doping can strongly affect the electronic transport properties of the APNR and change it from semiconductor to metal.Meanwhile,obvious negative differential resistance（NDR） behaviors are obtained by tuning the doping position and concentration.In particular,with reducing doping concentration,NDR peak position can enter into m V bias range.These results provide a theoretical support to design the related nanodevice by tuning the doping position and concentration in the APNRs.
基金support from National Key Research and Development Program of China(2021YFA0716304)National Natural Science Foundation of China(52075524,51705504 and 21972153)+3 种基金Youth Innovation Promotion Association CAS(2022429 and 2018454)Gansu Province Science and Technology Plan(22JR5RA094,20JR10RA060)Natural Science Foundation of Shandong Province(ZR2022ZD09)LICP Cooperation Foundation for Young Scholars(HZJJ21-06).
文摘Developing functional additive resistant to space atomic oxygen(AO)irradiation through simple molecular design and chemical synthesis to enhance the lubricating performance of multialkylated cyclopentanes(MACs)oil is a significant challenge.Herein,sulfur-containing polyhedral oligomere silsesquioxane(POSS)were synthesize via a click-chemistry reaction of octavinyl polyhedral oligomeric with alkyl sulfide.The reduce-friction(RF),anti-wear(AW)properties and anti-AO irradiation of POSS-S-R as MACs base oil additives in atmospheric and simulated space environments were systematically investigated for the first time.Results demonstrate that POSS-S-R not only possesses outstanding anti-AO irradiation capacity but also effectively improves the RF and AW of MACs in atmospheric or simulated space surroundings.This improvement is due to the excellent anti-AO irradiation properties of the POSS structure itself and the high load-carrying ability of silicon-containing and sulfur-containing compounds generated by tribo-chemical reactions,which effectively separates the direct contact of the friction interface.We believe that this synthesized POSS-S-R is a promising additive for space lubricants.
