| 1. |
- Yin, Xiu, et al.
(author)
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Doping of charge-transfer molecules in cocrystals for the design of materials with novel piezo-activated luminescence
- 2023
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In: Chemical Science. - : Royal Society of Chemistry. - 2041-6520 .- 2041-6539. ; 14:6, s. 1479-1484
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Journal article (peer-reviewed)abstract
- A novel piezo-activated luminescent material with wide range modulation of the luminescence wavelength and a giant intensity enhancement upon compression was prepared using a strategy of molecular doping. The doping of THT molecules into TCNB-perylene cocrystals results in the formation of a weak but pressure-enhanced emission center in the material at ambient pressure. Upon compression, the emissive band from the undoped component TCNB-perylene undergoes a normal red shift and emission quenching, while the weak emission center shows an anomalous blue shift from 615 nm to 574 nm and a giant luminescence enhancement up to 16 GPa. Further theoretical calculations show that doping by THT could modify intermolecular interactions, promote molecular deformation, and importantly, inject electrons into the host TCNB-perylene upon compression, which contributes to the novel piezochromic luminescence behavior. Based on this finding, we further propose a universal approach to design and regulate the piezo-activated luminescence of materials by using other similar dopants.
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| 2. |
- Yu, Junchun, et al.
(author)
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Thermal conductivity of highly crystallized polyethylene
- 2014
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In: Polymer. - Oxford : Elsevier. - 0032-3861 .- 1873-2291. ; 55:1, s. 195-200
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Journal article (peer-reviewed)abstract
- We report thermal conductivity (kappa) of low-density, high-density and ultra-high density polyethylene (PE) with different crystallinity and microstructures. PE was crystallized under high-pressure and high-temperature conditions which produce extended chain crystals. By applying a two-phase model, we estimate kappa of 100% crystallized PE as a function of pressure and temperature. The increased crystallinity and lamellar thickness (fold length) reduce the thermal resistance, which is reflected not only in the absolute value of kappa but also in more pronounced pressure and temperature dependencies approaching those of polycrystalline low-molecular weight materials. The results suggest that it is crucial to increase the lamellar thickness to significantly improve kappa of PE with randomly oriented lamellae.
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| 3. |
- Aleksandrovskii, A. N., et al.
(author)
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Negative thermal expansion of fullerite C60 at helium temperatures
- 1997
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In: Low temperature physics (Woodbury, N.Y., Print). - : AIP Publishing. - 1063-777X .- 1090-6517. ; 23:11, s. 943-946
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Journal article (peer-reviewed)abstract
- The thermal expansion of fullerite C60 has been measured in the temperature range 2–9 K. A compacted fullerite sample with a diameter of about 6 mm and height of 2.4 mm was used. It was found that at temperatures below ~ 3.4 K the linear thermal expansion coefficient becomes negative. At temperatures above 5 K our results are in good agreement with the available literature data. A qualitative explanation of the results is proposed
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| 4. |
- Aleksandrovskii, A. N., et al.
(author)
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Thermal expansion of single-crystal fullerite C60 at helium temperatures
- 2000
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In: Low temperature physics (Woodbury, N.Y., Print). - : AIP Publishing. - 1063-777X .- 1090-6517. ; 26:1, s. 75-80
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Journal article (peer-reviewed)abstract
- The thermal expansion of single-crystal fullerite C60 has been studied in the range of liquid-helium temperatures (2–10 K). At temperatures below ~4.5 K the thermal expansion of fullerite C60 becomes negative, in agreement with the previous results on polycrystalline materials. A qualitative explanation of the results is proposed.
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| 5. |
- Andersson, Ove, et al.
(author)
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Reorientational relaxation in C60 following a pressure induced change in the pentagon/hexagon equilibrium ratio
- 1995
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In: Physics Letters A. - : Elsevier Science B.V.. - 0375-9601 .- 1873-2429. ; 206:3-4, s. 260-264
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Journal article (peer-reviewed)abstract
- The orientational structure of C60 depends on pressure and temperature. Pressurization below the glass transition temperature Tg can freeze in non-equilibrium orientational structures. The relaxation of such structures on heating through Tg has been studied through thermal conductivity measurements and the effects observed are explained in a simple model.
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| 6. |
- Andersson, Ove, et al.
(author)
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Thermal conductivity of C60 at pressures up to 1 GPa and temperatures in the range 50-300 K
- 1996
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In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 54:5, s. 3093-3100
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Journal article (peer-reviewed)abstract
- The thermal conductivity λ of C60 shows anomalies near 260 K and 90 K which are associated with the well-established phase transition and glass transition, respectively. Both transition temperatures increase with pressure, at the rates 120 K GPa-1 and 62 K GPa-1, respectively. With increasing temperature, λ of the simple cubic (sc) phase increased below 170 K (glasslike behavior) but decreased above. The glasslike behavior of λ is probably due to a substantial amount of lattice defects. Possible reasons for the change of sign of dλ/dT near 170 K are discussed. In the face centered cubic (fcc) phase (T≳260 K at atmospheric pressure) λ was almost independent of temperature, a behavior which is far from that of an ordered crystal (λ∝T-1 for T≳Debye temperature). This result can be attributed to the molecular orientational disorder of the fcc phase. The relaxation behavior associated with the glassy state and its unusually strong dependence on thermal history are discussed briefly, and data which support a previously reported relaxation model are presented. At room temperature, the density dependencies of λ, (∂ lnλ/∂ lnρ)T, were 5.5 and 9.5 for the fcc and sc phases, which are values typical for an orientationally disordered phase and a normal crystal phase, respectively.
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| 7. |
- Cui, Wen, et al.
(author)
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Reversible pressure-induced polymerization of Fe(C5H5)(2) doped C-70
- 2013
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In: Carbon. - : Pergamon-Elsevier Science. - 0008-6223 .- 1873-3891. ; 62, s. 447-454
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Journal article (peer-reviewed)abstract
- High pressure Raman, IR and X-ray diffraction (XRD) studies have been carried out on C-70(Fe(C5H5)(2))(2) (hereafter, "C-70(Fc)(2)") sheets. Theoretical calculation is further used to analyze the Electron Localization Function (ELF) and charge transfer in the crystal and thus to understand the transformation of C-70(Fc)(2) under pressure. Our results show that even at room temperature dimeric phase and one dimensional (1D) polymer phase of C-70 molecules can be formed at about 3 and 8 GPa, respectively. The polymerization is found to be reversible Upon decompression and the reversibility is related to the pressure-tuned charge transfer, as well as the overridden steric repulsion of counter ions. According to the layered structure of the intercalated ferrocene molecules formed in the crystal, we suggest that ferrocene acts as not only a spacer to restrict the polymerization of C-70 molecules within a layer, but also as charge reservoir to tune the polymerization process. This supplies a possible way for us to design the polymerization of fullerenes at suitable conditions.
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| 8. |
- Du, Mingrun, et al.
(author)
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High pressure infrared spectroscopy study on C60*CS2 solvates
- 2017
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In: Chemical Physics Letters. - : Elsevier. - 0009-2614 .- 1873-4448. ; 669, s. 49-53
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Journal article (peer-reviewed)abstract
- High pressure IR study has been carried out on C-60*CS2 solvates up to 34.8 GPa. It is found that the intercalated CS2 molecules significantly affect the transformations of C-60 molecules under pressure. As a probe, the intercalated CS2 molecules can well detect the orientational ordering transition and deformation of C-60 molecules under pressure. The chemical stability of CS2 molecules under pressure is also dramatically enhanced due to the spacial shielding effet from C-60 molecules around in the solvated crystal. These results provide new insight into the effect of interactions between intercalants and fullerenes on the transformations in fullerene solvates under pressure.
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| 9. |
- Filinchuk, Yaroslav, et al.
(author)
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Cation Size and Anion Anisotropy in Structural Chemistry of Metal Borohydrides. The Peculiar Pressure Evolution of RbBH4
- 2010
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In: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 49:11, s. 5285-5292
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Journal article (peer-reviewed)abstract
- The pressure evolution of RbBH4 has been characterized by synchrotron powder X-ray diffraction and Raman spectroscopy up to 23 GPa. Diffraction experiments at ambient temperature reveal three phase transitions, at 3.0, 10.4, and 18 GPa (at 2.6, 7.8, and 20 GPa from Raman data), at which the space group symmetry changes in the order Fm-3m(Z=4) → P4/nmm(2) → C222(2) → I-42m(4). Crystal structures and equations of state are reported for all four phases. The three high-pressure structure types are new in the crystal chemistry of borohydrides. RbBH4 polymorphs reveal high coordination numbers (CNs) for cation and anion sites, increasing with pressure from 6 to 8, via an intermediate 4 + 4 coordination. Different arrangements of the tetrahedral BH4 group in the Rb environment define the crystal symmetries of the RbBH4 polymorphs. The structural evolution in the MBH4 series is determined by the cation’s size, as it differs drastically for M = Li (CNs = 4, 6), Na (CN = 6), and Rb. The only structure common to the whole MBH4 family is the cubic one. Its bulk modulus linearly decreases as the ionic radius of M increases, indicating that the compressibility of the material is mainly determined by the repulsive BH4···BH4 interactions.
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| 10. |
- Lundin, Anders, et al.
(author)
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Compressibility and Structure of C70
- 1995
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In: Europhysics letters. - : IOP Publishing. - 0295-5075 .- 1286-4854. ; 30:8, s. 469-474
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Journal article (peer-reviewed)abstract
- The compressibility of C70 has been investigated by means of direct piston and cylinder measurements in the temperature range 150 to 365 K and up to 1 GPa. At 296 and 343 K we find a very rapid change of volume with pressure below 0.15 GPa. We tentatively interpret this as a continuous molecular reorientation with pressure, probably resulting in a transformation from a mixture of face-centred cubic (f.c.c.) and rhombohedral (r.h.) phases to mainly pure r.h. phase. At 365 K as well as at 236 K and below we see no anomalies indicating any structural or rotational anomalies in the pressure range investigated. The zero-pressure bulk modulus decreases with increasing temperature, from 13.1 GPa at 185 K to 7.9 GPa at 365 K. Our volumetric measurements confirm a recently proposed phase diagram for C70.
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