Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedra...Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedral local structures.To determine the microstructures of Zr–Cu clusters, the stable and metastable geometry of Zr_(n)Cu(n=2–12) clusters are screened out via the CALYPSO method using machine-learning potentials, and then the electronic structures are investigated using density functional theory. The results show that the Zr_(n)Cu(n ≥ 3) clusters possess three-dimensional geometries, Zr_(n)Cu(n≥9) possess cage-like geometries, and the Zr_(12)Cu cluster has icosahedral geometry. The binding energy per atom gradually gets enlarged with the increase in the size of the clusters, and Zr_(n)Cu(n=5,7,9,12) have relatively better stability than their neighbors. The magnetic moment of most Zr_(n)Cu clusters is just 1μB, and the main components of the highest occupied molecular orbitals(HOMOs) in the Zr_(12)Cu cluster come from the Zr-d state. There are hardly any localized two-center bonds, and there are about 20 σ-type delocalized three-center bonds.展开更多
Iodine is widely used in aqueous zinc batteries(ZBs)due to its abundant resources,low cost,and active redox reactions.In addition to the active material in zinc-iodine batteries,iodine also plays an important role in ...Iodine is widely used in aqueous zinc batteries(ZBs)due to its abundant resources,low cost,and active redox reactions.In addition to the active material in zinc-iodine batteries,iodine also plays an important role in other ZBs,such as regulating the electrochemical behavior of zinc ions,promoting the reaction kinetic and reversibility of other redox pairs,catalytic behaviors related to iodine reactions,coupling with other halogen ions,shuttle behaviors of polyiodides,etc.However,there is currently a lack of comprehensive discussion on these aspects.Here,this review provides a comprehensive overview of the electrochemical behaviors of iodide in the aqueous ZBs.The effect of iodine ions on the Zn^(2+)desolvation behaviors and the interfacial behaviors of Zn anode was summarized.Iodine redox pairs boosting other redox pairs,such as MnO_(2)/Mn^(2+)redox pair and vanadium redox pair to obtain high reversibility and capacity was also discussed.Moreover,the catalytic behaviors related to iodine reactions in aqueous ZBs,synergistic reaction with other halogen ions and suppression of shuttle behaviors for high performance zinc-iodine batteries were systematically analyzed.Finally,future prospects for designing effective iodine electrochemical behaviors with practicability are proposed,which will provide scientific guidance for the practical application of iodine-related aqueous ZBs.展开更多
Perovskite solar cells(PSCs)offer low costs and high power conversion efficiency.However,the lack of long-term stability,primarily stemming from the interfacial defects and the sus-ceptible metal electrodes,hinders th...Perovskite solar cells(PSCs)offer low costs and high power conversion efficiency.However,the lack of long-term stability,primarily stemming from the interfacial defects and the sus-ceptible metal electrodes,hinders their practical application.In the past few years,two-dimensional(2D)materials(e.g.,graphene and its derivatives,transitional metal dichalcogenides,MXenes,and black phosphorus)have been identified as a promising solution to solving these problems because of their dangling bond-free surfaces,layer-dependent electronic band structures,tunable functional groups,and inherent compactness.Here,recent progress of 2D material toward efficient and stable PSCs is summarized,including its role as both interface materials and electrodes.We discuss their beneficial effects on perovskite growth,energy level alignment,defect passivation,as well as blocking external stimulus.In particular,the unique properties of 2D materials to form van der Waals heterojunction at the bottom interface are emphasized.Finally,perspectives on the further development of PSCs using 2D materials are provided,such as designing high-quality van der Waals heterojunction,enhancing the uniformity and coverage of 2D nanosheets,and developing new 2D materials-based electrodes.展开更多
We propose a new laser-plasma-based method to generate brightγ-rays carrying large orbital angular momentum by interacting a circularly polarized Laguerre–Gaussian laser pulse with a near-critical hydrogen plasma co...We propose a new laser-plasma-based method to generate brightγ-rays carrying large orbital angular momentum by interacting a circularly polarized Laguerre–Gaussian laser pulse with a near-critical hydrogen plasma conflned in an over-dense solid tube.In the flrst stage of the interaction,it is found via fully relativistic three-dimensional particle-in-cell simulations that high-energy helical electron beams with large orbital angular momentum are generated.In the second stage,this electron beam interacts with the laser pulse reflected from the plasma disc behind the solid tube,and helicalγbeams are generated with the same topological structure as the electron beams.The results show that the electrons receive angular momentum from the drive laser,which can be further transferred to theγphotons during the interaction.Theγbeam orbital angular momentum is strongly dependent on the laser topological charge l and laser intensity a_(0),which scales as L_(γ)∝a_(0)~4.A short(duration of 5 fs)isolated helicalγbeam with an angular momentum of-3.3×10^(-14)kg m~2 s^(-1)is generated using the Laguerre–Gaussian laser pulse with l=2.The peak brightness of the helicalγbeam reaches 1.22×10^(24)photons s^(-1)mm^(-2)mrad^(-2)per 0.1%BW(at 10 Me V),and the laser-to-γ-ray angular momentum conversion rate is approximately 2.1%.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant Nos.11864040,11964037,and 11664038)。
文摘Zr-based amorphous alloys have attracted extensive attention because of their large glassy formation ability, wide supercooled liquid region, high elasticity, and unique mechanical strength induced by their icosahedral local structures.To determine the microstructures of Zr–Cu clusters, the stable and metastable geometry of Zr_(n)Cu(n=2–12) clusters are screened out via the CALYPSO method using machine-learning potentials, and then the electronic structures are investigated using density functional theory. The results show that the Zr_(n)Cu(n ≥ 3) clusters possess three-dimensional geometries, Zr_(n)Cu(n≥9) possess cage-like geometries, and the Zr_(12)Cu cluster has icosahedral geometry. The binding energy per atom gradually gets enlarged with the increase in the size of the clusters, and Zr_(n)Cu(n=5,7,9,12) have relatively better stability than their neighbors. The magnetic moment of most Zr_(n)Cu clusters is just 1μB, and the main components of the highest occupied molecular orbitals(HOMOs) in the Zr_(12)Cu cluster come from the Zr-d state. There are hardly any localized two-center bonds, and there are about 20 σ-type delocalized three-center bonds.
基金supported by the Natural Science Foundation of Xinjiang Uygur Autonomous Region(Grant No.2023D01C168)Scientific Research Program of the Higher Education Institution of Xinjiang(Grant No.XJEDU2022P001)+1 种基金Autonomous Region"Tianchi Talent"Introduction Program Youth Doctoral Program(Grant No.51052401544)Tianshan Innovation Team Program of Xinjiang Uygur Autonomous Region(Grant No.2023D14001).
文摘Iodine is widely used in aqueous zinc batteries(ZBs)due to its abundant resources,low cost,and active redox reactions.In addition to the active material in zinc-iodine batteries,iodine also plays an important role in other ZBs,such as regulating the electrochemical behavior of zinc ions,promoting the reaction kinetic and reversibility of other redox pairs,catalytic behaviors related to iodine reactions,coupling with other halogen ions,shuttle behaviors of polyiodides,etc.However,there is currently a lack of comprehensive discussion on these aspects.Here,this review provides a comprehensive overview of the electrochemical behaviors of iodide in the aqueous ZBs.The effect of iodine ions on the Zn^(2+)desolvation behaviors and the interfacial behaviors of Zn anode was summarized.Iodine redox pairs boosting other redox pairs,such as MnO_(2)/Mn^(2+)redox pair and vanadium redox pair to obtain high reversibility and capacity was also discussed.Moreover,the catalytic behaviors related to iodine reactions in aqueous ZBs,synergistic reaction with other halogen ions and suppression of shuttle behaviors for high performance zinc-iodine batteries were systematically analyzed.Finally,future prospects for designing effective iodine electrochemical behaviors with practicability are proposed,which will provide scientific guidance for the practical application of iodine-related aqueous ZBs.
基金the financial support of the National Natural Science Foundation of China(Nos.U21A20171,12074245,and 52102281)National Key R&D Program of China(Nos.2021YFB3800068 and 2020YFB1506400)+1 种基金Shanghai Sailing Program(No.21YF1421600)Young Elite Scientists Sponsorship Program by China Association for Science and Technology(No.2021QNRC001).
文摘Perovskite solar cells(PSCs)offer low costs and high power conversion efficiency.However,the lack of long-term stability,primarily stemming from the interfacial defects and the sus-ceptible metal electrodes,hinders their practical application.In the past few years,two-dimensional(2D)materials(e.g.,graphene and its derivatives,transitional metal dichalcogenides,MXenes,and black phosphorus)have been identified as a promising solution to solving these problems because of their dangling bond-free surfaces,layer-dependent electronic band structures,tunable functional groups,and inherent compactness.Here,recent progress of 2D material toward efficient and stable PSCs is summarized,including its role as both interface materials and electrodes.We discuss their beneficial effects on perovskite growth,energy level alignment,defect passivation,as well as blocking external stimulus.In particular,the unique properties of 2D materials to form van der Waals heterojunction at the bottom interface are emphasized.Finally,perspectives on the further development of PSCs using 2D materials are provided,such as designing high-quality van der Waals heterojunction,enhancing the uniformity and coverage of 2D nanosheets,and developing new 2D materials-based electrodes.
基金flnancially supported by National Natural Science Foundation of China(Nos.11664039,11964038,12104428,and 11875007)support from the Young Talents Project at Ocean University of China。
文摘We propose a new laser-plasma-based method to generate brightγ-rays carrying large orbital angular momentum by interacting a circularly polarized Laguerre–Gaussian laser pulse with a near-critical hydrogen plasma conflned in an over-dense solid tube.In the flrst stage of the interaction,it is found via fully relativistic three-dimensional particle-in-cell simulations that high-energy helical electron beams with large orbital angular momentum are generated.In the second stage,this electron beam interacts with the laser pulse reflected from the plasma disc behind the solid tube,and helicalγbeams are generated with the same topological structure as the electron beams.The results show that the electrons receive angular momentum from the drive laser,which can be further transferred to theγphotons during the interaction.Theγbeam orbital angular momentum is strongly dependent on the laser topological charge l and laser intensity a_(0),which scales as L_(γ)∝a_(0)~4.A short(duration of 5 fs)isolated helicalγbeam with an angular momentum of-3.3×10^(-14)kg m~2 s^(-1)is generated using the Laguerre–Gaussian laser pulse with l=2.The peak brightness of the helicalγbeam reaches 1.22×10^(24)photons s^(-1)mm^(-2)mrad^(-2)per 0.1%BW(at 10 Me V),and the laser-to-γ-ray angular momentum conversion rate is approximately 2.1%.
