The structural features and three-dimensional nature of the charge density wave （CDW） state of the layered chalcogenide 1T-TaSe2-xTex （0≤x≤2.0） are characterized by Cs-corrected transmission electron microscopy ...The structural features and three-dimensional nature of the charge density wave （CDW） state of the layered chalcogenide 1T-TaSe2-xTex （0≤x≤2.0） are characterized by Cs-corrected transmission electron microscopy measurements. Notable changes of both average structure and the CDW state arising from Te substitution for Se are clearly demonstrated in samples with x〉0.3. The commensurate CDW state characterized by the known star-of-David clustering in the 1T-TaSe2 crystal becomes visibly unstable with Te substitution and vanishes when x=0.3. The 1T-TaSe2-xTex （0.3≤x≤1.3） samples generally adopt a remarkable incommensurate CDW state with monoclinic distortion, which could be fundamentally in correlation with the strong qq-dependent electron-phonon coupling-induced period-lattice-distortion as identified in TaTe22. Systematic analysis demonstrates that the occurrence of superconductivity is related to the suppression of the commensurate CDW phase and the presence of discommensuration is an evident structural feature observed in the superconducting samples.展开更多
VO 2 thin films with good switching properties were prepared by controlling the annealing time and the annealing temperature in a vacuum system. The structural, optical and electrical properties of the samples were ch...VO 2 thin films with good switching properties were prepared by controlling the annealing time and the annealing temperature in a vacuum system. The structural, optical and electrical properties of the samples were characterized by using XRD、XPS、UV-VIS and electrical measurements. The switching parameters of VO 2 thin film were investigated too. The results indicate that before and after phase transition the resistance of VO 2 thin films changes about three orders of magnitude, the variation of film transmittance of 40 % has been carried out with the absorptivity switching velocity of about 0.260 7 /min at 900 nm . The structural property of samples has been improved but the phase-transition properties have been decreased by increasing the annealing time and annealing temperature. The valence of V ions and the structure of samples have great effect on phase transition properties of VO 2 thin films. Discussion on the effects of annealing time and annealing temperature on the phase-transition temperature and hysteresis width shows that the best reasonable annealing time and annealing temperature can be achieved.展开更多
Amplifying the intrinsic wettability of substrate material by changing the solid/liquid contact area is considered to be the main mechanism for controlling the wettability of rough or structured surfaces.Through theor...Amplifying the intrinsic wettability of substrate material by changing the solid/liquid contact area is considered to be the main mechanism for controlling the wettability of rough or structured surfaces.Through theoretical analysis and experimental exploration,we have found that in addition to this wettability structure amplification effect,the surface structure also simultaneously controls surface wettability by regulating the wetting state via changing the threshold Young angles of the Cassie-Baxter and Wenzel wetting regions.This wetting state regulation effect provides us with an alternative strategy to overcome the inherent limitation in surface chemistry by tailoring surface structure.The wetting state regulation effect created by multi-scale hierarchical structures is quite significant and plays is a crucial role in promoting the superhydrophobicity,superhydrophilicity and the transition between these two extreme wetting properties,as well as stabilizing the Cassie-Baxter superhydrophobic state on the fabricated lotus-like hierarchically structured Cu surface and the natural lotus leaf.展开更多
The structures of closo-hedral cluster (HAlNH)12 and endohedral complexes X@(HAlNH)12 (X = He, Ne, Ar, Kr) have been studied by using density functional theory (DFT) at the B3LYP/6-31G(d) level. The geometries, natura...The structures of closo-hedral cluster (HAlNH)12 and endohedral complexes X@(HAlNH)12 (X = He, Ne, Ar, Kr) have been studied by using density functional theory (DFT) at the B3LYP/6-31G(d) level. The geometries, natural bond orbital (NBO), vibrational frequency, energetic parameters, magnetic shielding constants and nucleus independent chemical shifts (NICS) were discussed. The potential surface of guest X shifting from the cage center to a face of six- membered ring was calculated at the same level. The exit transition state was demonstrated with IRC calculations. It is found that X@(HAlNH)12 complexes are dynamically stable, and Ne@(HAlNH)12 is more energetically favorable than the other complexes in thermodynamics.展开更多
There are potentially huge amounts of water stored in Earth's mantle, and the water solubilities in the silicate minerals range from tens to thousands of part per minion(ppm, part per million). Exploring water in ...There are potentially huge amounts of water stored in Earth's mantle, and the water solubilities in the silicate minerals range from tens to thousands of part per minion(ppm, part per million). Exploring water in the mantle has attracted much attention from the societies of mineralogy and geophysics in recent years. In the subducting slab, serpentine breaks down at high temperature, generating a series of dense hydrous magnesium silicate(DHMS) phases, such as phase A, chondrodite, clinohumite, etc. These phases may serve as carriers of water as hydroxyl into the upper mantle and the mantle transition zone(MTZ). On the other hand, wadsleyite and ringwoodite, polymorphs of olivine, are most the abundant minerals in the MTZ, and able to absorb significant amount of water(up to about 3 wt.% H_2O). Hence, the MTZ becomes a very important layer for water storage in the mantle, and hydration plays important roles in physics and chemistry of the MTZ. In this paper, we will discuss two aspects of hydrous silicate minerals:(1) crystal structures and(2) equations of state(Eo Ss).展开更多
The intermediate YBa2Cu3O7-δ samples of single phase with transitional structure from tetragonal phase to orthorhombic phase are prepared by quenching at different temperatures and investigated systematically. From X...The intermediate YBa2Cu3O7-δ samples of single phase with transitional structure from tetragonal phase to orthorhombic phase are prepared by quenching at different temperatures and investigated systematically. From X-ray diffraction (XRD), R-T curve and ac susceptibility measurements, it can be concluded that the structure transits from tetragonal phase to orthorhombic phase as the quenching temperature decreases; the YBa2Cu2O7-δ samples with tetragonal phase are nonsuperconductive till 4.2K; the critical temperature depends on the degree of orthorhombic distortion in the intermediate samples; the possible existence of a structure phase transition near 100K for the non-superconductive tetragonal phase is discovered for the first time. The electrical conductance property at high temperature region (higher than 100K) for the samples quenched at higher temperature can be explained in terms of the affection of oxygen vacancies.展开更多
The physical properties of semiconductors at high pressure, especially the properties and metallic transitions have been one of the interesting problems in high pressure physics. To carry out the studies of important ...The physical properties of semiconductors at high pressure, especially the properties and metallic transitions have been one of the interesting problems in high pressure physics. To carry out the studies of important theoretical significance for further understanding the interatomic interation in solids, the change in the electronic band structure, the conducting mechanism, etc., and also important guiding significance for exploring new materi-展开更多
基金Supported by the National Basic Research Program of China under Grant Nos 2015CB921300 and 2012CB821404the National Key Research and Development Program of China under Grant Nos 2016YFA0300300 and 2016YFA0300404+1 种基金the National Natural Science Foundation of China under Grant Nos 11474323,11604372,11274368,91221102,11190022,11674326 and 91422303the Strategic Priority Research Program(B)of the Chinese Academy of Sciences under Grant No XDB07020000
文摘The structural features and three-dimensional nature of the charge density wave （CDW） state of the layered chalcogenide 1T-TaSe2-xTex （0≤x≤2.0） are characterized by Cs-corrected transmission electron microscopy measurements. Notable changes of both average structure and the CDW state arising from Te substitution for Se are clearly demonstrated in samples with x〉0.3. The commensurate CDW state characterized by the known star-of-David clustering in the 1T-TaSe2 crystal becomes visibly unstable with Te substitution and vanishes when x=0.3. The 1T-TaSe2-xTex （0.3≤x≤1.3） samples generally adopt a remarkable incommensurate CDW state with monoclinic distortion, which could be fundamentally in correlation with the strong qq-dependent electron-phonon coupling-induced period-lattice-distortion as identified in TaTe22. Systematic analysis demonstrates that the occurrence of superconductivity is related to the suppression of the commensurate CDW phase and the presence of discommensuration is an evident structural feature observed in the superconducting samples.
文摘VO 2 thin films with good switching properties were prepared by controlling the annealing time and the annealing temperature in a vacuum system. The structural, optical and electrical properties of the samples were characterized by using XRD、XPS、UV-VIS and electrical measurements. The switching parameters of VO 2 thin film were investigated too. The results indicate that before and after phase transition the resistance of VO 2 thin films changes about three orders of magnitude, the variation of film transmittance of 40 % has been carried out with the absorptivity switching velocity of about 0.260 7 /min at 900 nm . The structural property of samples has been improved but the phase-transition properties have been decreased by increasing the annealing time and annealing temperature. The valence of V ions and the structure of samples have great effect on phase transition properties of VO 2 thin films. Discussion on the effects of annealing time and annealing temperature on the phase-transition temperature and hysteresis width shows that the best reasonable annealing time and annealing temperature can be achieved.
基金financially supported by the National Natural Science Foundation of China(Grant Nos.52105303 and 52025053)Natural Science Foundation of Jilin Province(No.20220101209JC)Foundation for Innovative Research Groups of the National Natural Science Foundation of China(No.52021003).
文摘Amplifying the intrinsic wettability of substrate material by changing the solid/liquid contact area is considered to be the main mechanism for controlling the wettability of rough or structured surfaces.Through theoretical analysis and experimental exploration,we have found that in addition to this wettability structure amplification effect,the surface structure also simultaneously controls surface wettability by regulating the wetting state via changing the threshold Young angles of the Cassie-Baxter and Wenzel wetting regions.This wetting state regulation effect provides us with an alternative strategy to overcome the inherent limitation in surface chemistry by tailoring surface structure.The wetting state regulation effect created by multi-scale hierarchical structures is quite significant and plays is a crucial role in promoting the superhydrophobicity,superhydrophilicity and the transition between these two extreme wetting properties,as well as stabilizing the Cassie-Baxter superhydrophobic state on the fabricated lotus-like hierarchically structured Cu surface and the natural lotus leaf.
基金This work was supported by the National Natural Science Foundation of China (No. 20341005), Natural Science Foundation of Shanxi Province (No. 20011015) and the Foundation for University Key Teachers by the Ministry of Education
文摘The structures of closo-hedral cluster (HAlNH)12 and endohedral complexes X@(HAlNH)12 (X = He, Ne, Ar, Kr) have been studied by using density functional theory (DFT) at the B3LYP/6-31G(d) level. The geometries, natural bond orbital (NBO), vibrational frequency, energetic parameters, magnetic shielding constants and nucleus independent chemical shifts (NICS) were discussed. The potential surface of guest X shifting from the cage center to a face of six- membered ring was calculated at the same level. The exit transition state was demonstrated with IRC calculations. It is found that X@(HAlNH)12 complexes are dynamically stable, and Ne@(HAlNH)12 is more energetically favorable than the other complexes in thermodynamics.
基金supported by the National Natural Science Foundation of China(Grant Nos.41590621&41473058)the Fundamental Research Funds for the Central University(Grant No.G1323531512)MOST Special Fund from the State Key Laboratory of Geological Processes and Mineral Resources(Grant No.MSFGPMR07),China University of Geosciences at Wuhan
文摘There are potentially huge amounts of water stored in Earth's mantle, and the water solubilities in the silicate minerals range from tens to thousands of part per minion(ppm, part per million). Exploring water in the mantle has attracted much attention from the societies of mineralogy and geophysics in recent years. In the subducting slab, serpentine breaks down at high temperature, generating a series of dense hydrous magnesium silicate(DHMS) phases, such as phase A, chondrodite, clinohumite, etc. These phases may serve as carriers of water as hydroxyl into the upper mantle and the mantle transition zone(MTZ). On the other hand, wadsleyite and ringwoodite, polymorphs of olivine, are most the abundant minerals in the MTZ, and able to absorb significant amount of water(up to about 3 wt.% H_2O). Hence, the MTZ becomes a very important layer for water storage in the mantle, and hydration plays important roles in physics and chemistry of the MTZ. In this paper, we will discuss two aspects of hydrous silicate minerals:(1) crystal structures and(2) equations of state(Eo Ss).
文摘The intermediate YBa2Cu3O7-δ samples of single phase with transitional structure from tetragonal phase to orthorhombic phase are prepared by quenching at different temperatures and investigated systematically. From X-ray diffraction (XRD), R-T curve and ac susceptibility measurements, it can be concluded that the structure transits from tetragonal phase to orthorhombic phase as the quenching temperature decreases; the YBa2Cu2O7-δ samples with tetragonal phase are nonsuperconductive till 4.2K; the critical temperature depends on the degree of orthorhombic distortion in the intermediate samples; the possible existence of a structure phase transition near 100K for the non-superconductive tetragonal phase is discovered for the first time. The electrical conductance property at high temperature region (higher than 100K) for the samples quenched at higher temperature can be explained in terms of the affection of oxygen vacancies.
文摘The physical properties of semiconductors at high pressure, especially the properties and metallic transitions have been one of the interesting problems in high pressure physics. To carry out the studies of important theoretical significance for further understanding the interatomic interation in solids, the change in the electronic band structure, the conducting mechanism, etc., and also important guiding significance for exploring new materi-
