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91.
Dr. Dingfeng Yang Junzhu Yang Xuejun Quan Bin Zhang Guoyu Wang Xu Lu Xiaoyuan Zhou 《Chemphyschem》2021,22(24):2579-2584
Understanding the correlation between crystal structure and thermal conductivity in semiconductors is very important for designing heat-transport-related devices, such as high-performance thermoelectric materials and heat dissipation in micro-nano-scale devices. In this work, the lattice thermal conductivity ( ) of the cage-like compounds Cu3VSe4 and Cu3NbSe4 was investigated by experimental measurements and first-principles calculations. The experimental of Cu3NbSe4 is approximately 25 % lower than that of Cu3VSe4 at 300 K. The relevant important physical parameters, including the sound velocity, heat capacity, weighted phonon phase space (W), and third-order force constants along with atomic mass were theoretically analyzed. It is found that W is the dominant parameter in determining the , and the other factors only play a minor role. The physical origin is the relatively “soft” lattice of Cu3NbSe4 with heavier atomic mass. This research provides deep insight into the correlation between the thermal conductivity and crystal structure and paves the way for discovering high-performance thermal management device and thermoelectric materials with intrinsically low . 相似文献
92.
It is well known that porphyrin derivatives play a key role in the primary process of photo-synthesis[1], in which porphyrins directly absorb the sunlight or indirectly acquire excitation en-ergy from light-harvesting antenna system to reach their excited state, and then donate electrons to quinone acceptors to yield a series of charge-separated species. In general, only first singlet ex-cited state of porphyrins is involved in energy transfer process[2]. However, highly excited state (S2 stat… 相似文献
93.
94.
Moonhor Ree Jong-Seong KimJae Jung Kim Byeang Hyean KimJuyoung Yoon Heesoo Kim 《Tetrahedron letters》2003,44(45):8211-8215
The synthesis of novel cavitands containing four fluorophores [tert-butoxycarbonyl protected 2,2′-bis(furyl)benzidine (t-BOC FurylBz) or 5,5′-bis(4-aminophenyl)-2,2′-bifuryl (t-BOC PFDA)] and ionophoric functional groups on the upper rim is reported. The cavitands bearing the four fluorophores emit blue light photoluminescence. In particular, the cavitand containing PFDA moieties exhibits a high photoluminescence quantum yield. 相似文献
95.
Abdelhakim Kaddouri 《Reaction Kinetics and Catalysis Letters》2004,82(2):401-409
The reaction of C2H6with lattice oxygen, O2- (in the absence of gaseous oxygen), or “adsorbedℍ oxygen (in the presence of gaseous oxygen) over NiMoO4 catalysts has been performed and compared to C3H8 activation. The results obtained indicate that adsorbed oxygen exhibits a higher reactivity to C2H6, while lattice oxygen is more reactive relative to C3H8. Kinetic studies of these two reactions in presence of molecular oxygen have indeed shown that the ethane oxidative dehydrogenation
(ODH) is dependent on the oxygen partial pressure, whilst on the contrary propane ODH is not. In order to confirm the presence
of “adsorbed” oxygen for ethane activation, ODH tests have been performed with N2O. On increasing temperature, the O- adsorbed species enhances the mild oxidation of ethane. The activation energy of ethane consumption EC2H6, relative to propane (EC3H8 = 133 kJ/mol) is 145 kJ/mol. A possible mechanism is proposed for the oxidative dehydrogenation of ethane.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
96.
Ballester P Costa A Castilla AM Deyà PM Frontera A Gomila RM Hunter CA 《Chemistry (Weinheim an der Bergstrasse, Germany)》2005,11(7):2196-2206
Three isomeric zinc bisporphyrins have been prepared by covalently linking together two aminoporphyrins with an isophthalic acid derivative. The porphyrins differ in the substitution pattern on the meso phenyl groups, that is, ortho, meta, or para. Titrations carried out by UV-visible and 1H NMR spectroscopy have been used to map out the stabilities and the stoichiometries of the complexes formed with 1,4-diazabicyclo[2.2.2]octane (DABCO) in chloroform. The ortho- and meta-substituted bisporphyrins form 1:1 intramolecular sandwich complexes. The para-substituted bisporphyrin cannot adopt the cofacial conformation required for this type of complex and forms a higher order 2:2 intermolecular assembly, which is stable over a wide range of DABCO concentrations. 相似文献
97.
Precise conductance measurements are reported on dilute aqueous solutions of the sodium and potassium salts of orthophosphoric
acid at 25 ∘C. Conductance measurements on solutions of electrolytes such as these phosphate salts that exist in solution as complicated
mixtures of ions have previously proved difficult to interpret. To overcome this, a mathematical method has been developed
to calculate the concentrations of all the species in the aqueous system M3PO4/M2HPO4/M2HPO4/H3PO4 (M = Na or K) over a continuous range of stoichiometries. The Lee–Wheaton conductance equation has been used to interpret
the conductance of these multicomponent solutions in terms of the limiting ionic conductances and concentrations of all the
ions in the solution. The limiting molar conductances of the ions H2PO4
− and HPO4
2− and the ion-pair formation constants of these ions with sodium and potassium ions were determine
This work has enabled the accurate determination of solution parameters for the important hydrogenphosphate ions in water
and provides an excellent example of the use of an advanced conductance theory in the analysis of the conductance of multicomponent
electrolyte systems. 相似文献
98.
We employ dissipative particle dynamics (DPD) to examine the self‐assembly behavior of A2‐star‐(B‐alt‐C) molecules. We successfully observe various types of hierarchical structure‐within‐structures, such as A‐formed spheres in the matrix formed by B and C alternating layers, hexagonally packed A‐formed cylinders in the matrix with B and C segregated layers, B and C alternating layers‐within‐lamellae, coaxial B and C alternating domains within hexagonally packed BC‐formed cylinders in the A‐matrix, and co‐centric BC‐alternating domains within BC‐formed spheres in the A‐matrix, by increasing the A composition. Generally speaking, the small length‐scale B and C segregated domains are in parallel to the large length‐scale structures. This hierarchical periodicity along the same axis as well as the various characteristic structures, that the A2‐star‐(B‐alt‐C) copolymers display, are quite different from those in A‐block‐(B‐graft‐C) coil‐comb copolymers. Moreover, it is interesting to find that when the copolymer chain length increases, though the hierarchical structure type is maintained, the number of small length‐scale lamellae that can form within the large length‐scale structure increases. These hierarchical structures under various compositions are reported theoretically for the first time in the copolymer systems consisting of the alternating blocks, and are in good agreement with the most recent experimental work by Matsushita and co‐workers (Macromolecules 2007 , 40, 4023). 相似文献
99.
Englert BC Scholz S Leech PJ Srinivasarao M Bunz UH 《Chemistry (Weinheim an der Bergstrasse, Germany)》2005,11(3):995-1000
We describe the synthesis of two cyclobutadiene(cyclopentadienyl)cobalt-containing poly(p-phenylene ethynylene)s (PPEs) and their use as precursors for stable ceramic surface coatings. Organometallic PPEs were shaped into hexagonally ordered assemblies by using the breath-figure method. Such breath figures can be washed away with an appropriate solvent. Upon pyrolysis at 500 degrees C under either nitrogen or air, the bubble arrays persist as ceramics and are insoluble in organic solvents or water. The formed pyrolyzed bubble arrays were analyzed by optical and scanning electron microscopy, as well as energy dispersive X-ray microanalysis (EDX). The composition of the ceramic materials is discussed based on EDX and IR data. 相似文献
100.
Breit B 《Angewandte Chemie (International ed. in English)》2005,44(42):6816-6825
The process of catalyst discovery and development relying on combinatorial methods has suffered so far from the difficult access to structurally diverse and large libraries of ligands, in particular the structurally more complex class of bidentate ligands. A completely new approach to streamline the difficult ligand synthesis process is to use structurally less complex monodentate ligands that self-assemble in the coordination sphere of a metal center through noncovalent attractive ligand-ligand interactions to generate bidentate, chelating ligands. When complementary attractive ligand-ligand interactions are employed, it is even possible to generate libraries of defined chelate-ligand catalysts by simply mixing two different monomeric ligands. This Minireview summarizes the first approaches and results in this new field of combinatorial homogeneous catalysis. 相似文献