相关论文: Multiscale Modelling of Lytic Polysaccharide Monoo…
Two-dimensional manganese oxide layers have been grown on Pd(100) and have been characterized by scanning tunnelling microscopy (STM), low-energy electron diffraction (LEED) and X-ray photoelectron spectroscopy (XPS). The complex surface…
Liquid-liquid phase separation (LLPS) is an emerging and universal mechanism for intracellular biomolecule organization, particularly, via the formation of membraneless organelles (MOs). Intrinsically disordered proteins (IDPs) are the main…
An off-lattice Monte Carlo algorithm for solutions of equilibrium polymers (EP) is proposed. At low and moderate densities this is shown to reproduce faithfully the (static) properties found recently for flexible linear EP using a lattice…
Conjugated polymers are observed to aggregate in solution. To account for this observation we propose a inter-chain binding mechanism based on the intermolecular tunneling of the delocalized $\pi$-electrons occurring at points where the…
High-$\kappa$ metal oxides are a class of materials playing an increasingly important role in modern device physics and technology. Here we report theoretical investigations of the properties of structural and lattice dielectric constants…
The recent experimental fabrication of monolayer and few-layer C60 polymers paves the way for synthesizing two-dimensional cluster-assembled materials. Compared to atoms with the SO(3) symmetry, clusters as superatoms (e.g., C60) have an…
Ultracold collisions of LiO molecules in the $^{2}\Pi_{3/2}$ ground state are considered, under the influence of either an external magnetic or electric field. Inelastic collisions are shown to be suppressed in the presence of modest…
Matter at intermediate baryon densities and low temperatures is notoriously hard to tackle theoretically. Whereas lattice methods cannot cover more than rather small densities, perturbative methods are only applicable at much higher…
2D materials with nontrivial energy bands are highly desirable for exploring various topological phases of matter, as low dimensionality opens unprecedented opportunities for manipulating the quantum states. Here, it is reported that…
We show that in Pr$ _{0.5} $La$ _{0.2} $Ca$ _{0.3} $MnO$ _{3} $/YBa$ _{2} $Cu$ _{3} $O$ _{7} $ (PLCMO/YBCO) multilayers the low temperature state of YBCO is very resistive and resembles the one of a granular superconductor or a frustrated…
By means of DFT-based first-principles calculations, we examine two polymorphs of the newly synthesized 1111-like MgFeSeO as possible new superconducting systems. We have found that the polymorph with blocks [MgO], where Mg atoms are placed…
Vesicles prepared in water from a series of diblock copolymers and termed "polymersomes" are physically characterized. With increasing molecular weight $\bar{M}_n$, the hydrophobic core thickness $d$ for the self-assembled bilayers of…
This study explores the potential of MoS$_2$ polymorphs, specifically the semiconducting 2H phase and the metallic 1T$^\prime$ phase, as anchoring materials to enhance the electrochemical performance of lithium-sulfur (Li--S) batteries.…
An important challenge in the field of materials design and synthesis is to deliberately design mesoscopic objects starting from well-defined precursors and inducing directed movements in them to emulate biological processes. Recently,…
High temperature superconductivity has been found in many kinds of compounds built from planes of Cu and O, separated by spacer layers. Understanding why critical temperatures are so high has been the subject of numerous investigations and…
In this work, the polymerization of Limonene Oxide (LO) has been achieved using an Earth abundant metal-based catalyst developed in our group, that is very active in ring opening polymerization (ROP) processes. The bio-based polylimonene…
The study is devoted to elaboration of an alternative image of conjugation in acyclic polyenes as a weak and essentially local delocalization of initially-localized pairs of electrons ascribed to individual double bonds (instead of…
It is highly desirable to search for promising two-dimensional (2D) monolayer materials for deep insight of 2D materials and applications. We use first-principles method to investigate tetragonal perovskite oxide monolayers as 2D materials.…
Non-toxic potassium and sodium metal compounds have been prepared with a bulky aryloxide ligand MOR 1 y 2 as well, their counterparts containing a crown ether bonded to the alkali metal 3 y 4 and fully characterized. The activity of…
High-entropy oxide (HEO) thermodynamics transcend temperature-centric approaches, spanning a multidimensional landscape where oxygen chemical potential plays a decisive role. Here, we experimentally demonstrate how controlling the oxygen…