Disk-like liquid crystals(DLCs) can self-assemble to ordered columnar mesophases and are intriguing onedimensional organic semiconductors with high charge carrier mobility.To improve their applicable property of mes...Disk-like liquid crystals(DLCs) can self-assemble to ordered columnar mesophases and are intriguing onedimensional organic semiconductors with high charge carrier mobility.To improve their applicable property of mesomorphic temperature ranges,we exploit the binary mixtures of electronic donor-acceptor DLC materials.The electron-rich2,3,6,7,10,11-hexakis(alkoxy)triphenylenes(C4,C6,C8,C10,C12) and an electron-deficient tetrapentyl triphenylene-2,3,6,10-tetracarboxylate have been prepared and their binary mixtures have been investigated.The mesomorphism of the1:1(molar ratio) mixtures has been characterized by polarizing optical microscopy(POM),differential scanning calorimetry(DSC),and small angel x-ray scattering(SAXS).The self-assembled monolayer structure of a discogen on a solid-liquid interface has been imaged by the high resolution scanning tunneling microscopy(STM).The match of peripheral chain length has important influence on the mesomorphism of the binary mixtures.展开更多
Molecular dynamics (MD) computer simulation techniques, as a powerful tool commonly utilized by the liquid crystal display (LCD) community, usually are employed for computing the equilibrium and transport properti...Molecular dynamics (MD) computer simulation techniques, as a powerful tool commonly utilized by the liquid crystal display (LCD) community, usually are employed for computing the equilibrium and transport properties of a classical many body system, since they are very similar to real experiments in many respects. In this paper we pre- sent molecular dynamics computer simulation results taken for a mixture of the two different kinds of nematic liq- uid crystals (LCs). We calculated rotational viscosity from Brownian behavior with friction of the mean director of the mixture comprising pentylcyanobiphenol (5CB) and decylcyanobiphenol (10CB) by using molecular dynamics computer simulation, where intermolecular potential parameter is Generalized AMBER force field (GAFF). Our computed results show a good agreement with the experimental results.展开更多
In this work, the mesophase properties were tuned via mixing two discotic molecules with structural complementarity. Compared with the liquid crystalline hexakis(n-hexyloxy)triphenylene(H6TP)materials(columnar he...In this work, the mesophase properties were tuned via mixing two discotic molecules with structural complementarity. Compared with the liquid crystalline hexakis(n-hexyloxy)triphenylene(H6TP)materials(columnar hexagonal phase from 53 ℃ to 91 ℃), mesophase types as well as phase transition temperatures varied with the introduction of crystalline hexaazatriphenylene derivative(PBH)molecules. The introduction of less than 33% amount of PBH disrupted the columnar hexagonal phase formed by H6 TP remarkably, followed by the decreased clearing temperatures of liquid crystals. As the PBH amount was further increased, the destroyed columnar hexagonal phase was turned into the columnar rectangular phase, in which H6 TP and PBH molecules together formed the columnar mesophase. The formation of new mesophase contributed to the enlarged mesophase temperature(from44 ℃ to 144 ℃). We speculated that the alkyl chains interaction induced by the PBH component competed with the strong p–p stacking between H6 TP molecules, thus altering the liquid crystalline properties including mesophase types and phase transition temperatures.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.51273133 and 51443004)
文摘Disk-like liquid crystals(DLCs) can self-assemble to ordered columnar mesophases and are intriguing onedimensional organic semiconductors with high charge carrier mobility.To improve their applicable property of mesomorphic temperature ranges,we exploit the binary mixtures of electronic donor-acceptor DLC materials.The electron-rich2,3,6,7,10,11-hexakis(alkoxy)triphenylenes(C4,C6,C8,C10,C12) and an electron-deficient tetrapentyl triphenylene-2,3,6,10-tetracarboxylate have been prepared and their binary mixtures have been investigated.The mesomorphism of the1:1(molar ratio) mixtures has been characterized by polarizing optical microscopy(POM),differential scanning calorimetry(DSC),and small angel x-ray scattering(SAXS).The self-assembled monolayer structure of a discogen on a solid-liquid interface has been imaged by the high resolution scanning tunneling microscopy(STM).The match of peripheral chain length has important influence on the mesomorphism of the binary mixtures.
文摘Molecular dynamics (MD) computer simulation techniques, as a powerful tool commonly utilized by the liquid crystal display (LCD) community, usually are employed for computing the equilibrium and transport properties of a classical many body system, since they are very similar to real experiments in many respects. In this paper we pre- sent molecular dynamics computer simulation results taken for a mixture of the two different kinds of nematic liq- uid crystals (LCs). We calculated rotational viscosity from Brownian behavior with friction of the mean director of the mixture comprising pentylcyanobiphenol (5CB) and decylcyanobiphenol (10CB) by using molecular dynamics computer simulation, where intermolecular potential parameter is Generalized AMBER force field (GAFF). Our computed results show a good agreement with the experimental results.
基金supported by the National Natural Science Foundation of China(No.51303177)the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB12020300)
文摘In this work, the mesophase properties were tuned via mixing two discotic molecules with structural complementarity. Compared with the liquid crystalline hexakis(n-hexyloxy)triphenylene(H6TP)materials(columnar hexagonal phase from 53 ℃ to 91 ℃), mesophase types as well as phase transition temperatures varied with the introduction of crystalline hexaazatriphenylene derivative(PBH)molecules. The introduction of less than 33% amount of PBH disrupted the columnar hexagonal phase formed by H6 TP remarkably, followed by the decreased clearing temperatures of liquid crystals. As the PBH amount was further increased, the destroyed columnar hexagonal phase was turned into the columnar rectangular phase, in which H6 TP and PBH molecules together formed the columnar mesophase. The formation of new mesophase contributed to the enlarged mesophase temperature(from44 ℃ to 144 ℃). We speculated that the alkyl chains interaction induced by the PBH component competed with the strong p–p stacking between H6 TP molecules, thus altering the liquid crystalline properties including mesophase types and phase transition temperatures.