Materials Literature
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To find an effective strategy for the capture and decomposition of nitrous oxide (N(2)O) is very important in order to protect the ozone layer and control the effects of global warming. Based on first-principles calculations, such a strategy is proposed by the systemic study of N(2)O interaction with pristine and Al (…
In this feature article, we highlight the recent developments in the chain growth polymerization mechanism of conjugated polymers. With a particular emphasis on Kumada catalyst-transfer polycondensation, this article focuses on the surface-initiated polymerization of conjugated polymers, along with the opportunities a…
The basic structural chemistry of superconducting pnictides and pnictide oxides is reviewed. Crystal chemical details of selected compounds and group subgroup schemes are discussed with respect to phase transitions upon charge-density formation, the ordering of vacancies, or the ordered displacements of oxygen atoms.…
Conjugated oligocarbazoles with a 9,10-divinylanthracene core have been synthesized, and exhibit the transition from aggregation-induced emission (AIE) to aggregation-induced emission enhancement (AIEE) behaviour with extending conjugation length; self-assembly of the Cz4 molecule affords nanorings with high fluoresce…
The adsorption of benzotriazole--an outstanding corrosion inhibitor for copper--on Cu(111), Cu(100), Cu(110), and low coordinated defects thereon has been studied and characterized using density functional theory (DFT) calculations. We find that benzotriazole can either chemisorb in an upright geometry or physisorb wi…
We report on the preparation and drug delivery application of shell sheddable micelles based on disulfide-linked star-shaped copolymer of poly(ε-caprolactone) and poly(ethyl glycol) (6sPCL-SS-PEG). Interestingly, the micelles exhibit high stability normally and rapid destabilization under a reduction environment, elic…
We present a new set of interatomic potentials for modelling the BaTiO3 perovskite system. The potential model is fitted using multiple parameters to a range of experimental and ab initio data including the cohesive energy and lattice parameters of BaTiO3, BaO and rutile TiO2. This procedure provides internal consiste…
The aim of this work is to study the effect of gold nanoparticles on the segmental dynamics, glass transition (Tg) and physical aging of polystyrene (PS). To do so, PS/gold nanocomposite samples containing 5 and 15 wt% of 60 nm spherical gold nanoparticles, surface-treated with thiolated-PS, were prepared. The segment…
Two polymorphs of the same Dy(III) complex show distinct slow magnetic relaxation behaviors due to the different local environments of Dy(III) in the crystal. This work represents the first example where the magnetic dynamic property of neutral rare earth complexes could be tuned by growing polymorphic crystals withou…
Metal-free ordered mesoporous carbons were demonstrated to be robust catalysts for direct dehydrogenation of propane to propylene, in the absence of any auxiliary steam, exhibiting high activity and selectivity, as well as long catalytic stability, in comparison with nanostructured carbons.
Metalloporphyrin complexes of the period six metals gold, mercury, thallium, lead and bismuth are often overlooked in favour of their lighter congeners. These complexes exhibit unusual coordination geometries, prominently featuring the metal centre residing out the porphyrin plane. Not only are these compounds chemica…
我们为 solution-processable 为碳 nanotubes 的化学纯化开发了一个过程有高活动性的薄电影的晶体管(TFT ) 。简单落下涂层制作的净化的碳 nanotubes 的电影象 164 cm2V1s1， 0.78 Sm1 的规范的跨导，和开／关电流一样高显示出搬运人活动性 106 的比率。如此的高效要求测微计长、高度净化的半导体的围单人赛的碳 nanotubes (SWCNT ) 的暂停的准备。我们的纯化过程包括长度并且用与表面活化剂的混合物再循环胶化过滤的 SWCNT 的电子类型的选择套住。结果提供一个重要里程碑向与 roll-to-roll 和墨水喷气设备制造打印了高速度、大区域的电子学。
Based on first principles DFT calculations, we analyze oxygen vacancy formation and migration energies as a function of chemical composition in complex multicomponent (Ba,Sr)(Co,Fe)O 3−δ perovskites which are candidate materials for SOFC cathodes and permeation membranes. The atomic relaxation, electronic charge redis…
In recent years, developments in tomography tools have provided unprecedented insight into the microstructure of electrodes for solid oxide fuel cells, enabling researchers to establish direct links between electrode microstructure and electrochemical performance. Here we present results of high resolution, synchrotro…
Transition metal lumophores are now well established as agents for cell imaging, but we are still not able to predict generally and with confidence their cellular localisation, or, for that matter, their uptake efficiencies. While many such complexes have been shown to illuminate cells, genuine applications in biomedi…
Ultrathin Co(3)O(4) nanostructures with high catalytic oxidation of CO were synthesized by heating cobalt foils under atmospheric conditions. The Co(3)O(4) nanostructures were selectively exposing (111) planes composed of plenty of Co(3+) cations. We observed ultrahigh catalytic oxidation of CO in Co(3)O(4) nanowires…
Green chemical synthesis of Au nanoparticles (NPs) has been of great interest because of its potential biomedical applications. In this study, we successfully produced phytochemical-induced Au NPs cofunctionalized with gallic acid, protocatechuic acid, and isoflavone. They have a strong antioxidant effect and serve as…
Two unique octa- and hendeca-nuclear dysprosium(III) clusters incorporating [Dy(4)(μ(3)-OH)(4)](8+) cubane units have been synthesized with the 1,10-phenanthroline-2,9-dicarbaldehyde dioxime (H(2)phendox) ligand and DyCl(3)·6H(2)O or Dy(OAc)(3)·4H(2)O. They are [Dy(8)(OH)(8)(phendox)(6)(H(2)O)(8)]Cl(2)(OH)(2)·18H(2)O·…
Li is known for its ability to increase the conductivity of CuO films. Li doped CuO nanoparticles prepared by flame spray pyrolysis and followed by spin coating for the film preparation were studied at dopant concentrations of 0.5 at %, 2 at %, 3.5 at % and 5 at %. The photocurrent density and photon-to-hydrogen conve…
Heterometallic 3d-4f polyoxometalates still remain as an almost unexplored class of polyoxoanions despite showing great potential in fields such as molecular magnetism. This Frontier reviews some of their synthetic, structural and magnetic features and gives a personal view on future research in this area.