We investigate the structural and thermodynamic properties of OsN2 by a plane-wave pseudopotential density functional theory method. The obtained lattice constant, bulk modulus and cell volume per unit formula are con...We investigate the structural and thermodynamic properties of OsN2 by a plane-wave pseudopotential density functional theory method. The obtained lattice constant, bulk modulus and cell volume per unit formula are consistent with the available theoretical data. Moreover, the pressure-induced phase transition of OsN2 from pyrite structure to fluorite structure has been obtained. It is found that the transition pressure of OsN2 at zero temperature is 67.2 GPa. The bulk modulus B as well as other thermodynamic quantities of fluorite OsN2 （including the Griineisen constant γ and thermal expansion α） on temperatures and pressures have also been obtained.展开更多
The structure and magnetic properties of Osn （n=11～22） clusters are systematically studied by using density functional theory （DFT）. For each size, the average binding energy per atom, the second-order difference...The structure and magnetic properties of Osn （n=11～22） clusters are systematically studied by using density functional theory （DFT）. For each size, the average binding energy per atom, the second-order differences of total energies and the highest occupied molecular orbital （HOMO）–the lowest unoccupied molecular orbital （LUMO） gaps are calculated to analyze the stability of the cluster. The structures of Os14 and Os18 clusters are based on a close-packed hexagonal structure, and they have maximum stabilities, so n=14, 18 are the magic numbers. The 5d electrons play a dominant role in the chemical reaction of Osn clusters. The magnetic moments of Osn clusters are quenched around n=12, and when n=18～22 the value approximates to zero, due to the difference of electron transfer.展开更多
Organic solvent nanofiltration(OSN) is an efficient,low-energy and environmentally friendly phase-free separation process.Obviously,the core of OSN lies in the fabrication of solvent-resistant nanofiltration membranes...Organic solvent nanofiltration(OSN) is an efficient,low-energy and environmentally friendly phase-free separation process.Obviously,the core of OSN lies in the fabrication of solvent-resistant nanofiltration membranes.Although membrane materials reported in the literature such as 2D membranes,porous organic cages,etc.have the potential for ultra-high performance,polymeric membranes provide key advantages in mass production and processability.Therefore,this review focuses on polymeric materials for OSN.This review summarizes the recent progress of polymeric materials,including emerging and traditional polymeric membranes.Then,a summary of recent progress about strategies developed for perm-selective nanofilms are presented,followed by a brief overview of commercial membrane technology for OSN.Finally,major challenges of OSN and future research directions are presented.Close interaction between the academic research and practical application would help improve greener and more sustainable manufacturing processes.展开更多
2009年8月8日至8月11日,第二届国际光子与光电子学会议(POEM:Potonics and OptoelectronicsMeetings 2009)在华中科技大学召开。在光存储与新型存储技术(OSNS:Optical Storage and NewStorage Technologies)分会上,来自学术界的众多相...2009年8月8日至8月11日,第二届国际光子与光电子学会议(POEM:Potonics and OptoelectronicsMeetings 2009)在华中科技大学召开。在光存储与新型存储技术(OSNS:Optical Storage and NewStorage Technologies)分会上,来自学术界的众多相关人士,回顾了近年来光存储技术的发展,同时也进一步探索了当前各种数据存储技术的发展前景。展开更多
基金supported by the National Natural Science Foundation of China (Grant No. 10776022)the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20090181110080)
文摘We investigate the structural and thermodynamic properties of OsN2 by a plane-wave pseudopotential density functional theory method. The obtained lattice constant, bulk modulus and cell volume per unit formula are consistent with the available theoretical data. Moreover, the pressure-induced phase transition of OsN2 from pyrite structure to fluorite structure has been obtained. It is found that the transition pressure of OsN2 at zero temperature is 67.2 GPa. The bulk modulus B as well as other thermodynamic quantities of fluorite OsN2 （including the Griineisen constant γ and thermal expansion α） on temperatures and pressures have also been obtained.
基金Project supported by the National Natural Science Foundation of China(Grant No.51072072)
文摘The structure and magnetic properties of Osn （n=11～22） clusters are systematically studied by using density functional theory （DFT）. For each size, the average binding energy per atom, the second-order differences of total energies and the highest occupied molecular orbital （HOMO）–the lowest unoccupied molecular orbital （LUMO） gaps are calculated to analyze the stability of the cluster. The structures of Os14 and Os18 clusters are based on a close-packed hexagonal structure, and they have maximum stabilities, so n=14, 18 are the magic numbers. The 5d electrons play a dominant role in the chemical reaction of Osn clusters. The magnetic moments of Osn clusters are quenched around n=12, and when n=18～22 the value approximates to zero, due to the difference of electron transfer.
基金Knowledge Innovation Program of Wuhan-Basic Research(2022010801010321)Wuhan Limo Technology Limited Company(2022420111000256)。
文摘Organic solvent nanofiltration(OSN) is an efficient,low-energy and environmentally friendly phase-free separation process.Obviously,the core of OSN lies in the fabrication of solvent-resistant nanofiltration membranes.Although membrane materials reported in the literature such as 2D membranes,porous organic cages,etc.have the potential for ultra-high performance,polymeric membranes provide key advantages in mass production and processability.Therefore,this review focuses on polymeric materials for OSN.This review summarizes the recent progress of polymeric materials,including emerging and traditional polymeric membranes.Then,a summary of recent progress about strategies developed for perm-selective nanofilms are presented,followed by a brief overview of commercial membrane technology for OSN.Finally,major challenges of OSN and future research directions are presented.Close interaction between the academic research and practical application would help improve greener and more sustainable manufacturing processes.
文摘2009年8月8日至8月11日,第二届国际光子与光电子学会议(POEM:Potonics and OptoelectronicsMeetings 2009)在华中科技大学召开。在光存储与新型存储技术(OSNS:Optical Storage and NewStorage Technologies)分会上,来自学术界的众多相关人士,回顾了近年来光存储技术的发展,同时也进一步探索了当前各种数据存储技术的发展前景。
