Materials Literature
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A new general synthetic approach to sequenced macromolecules was developed and applied to the synthesis of polymers comprising lactic acid ( L ), glycolic acid ( G ), and ε-caprolactone ( C )-derived monomer units. The new method employs entropy-driven ring-opening metathesis polymerization (ED-ROMP) to prepare copoly…
As an efficient route to control pet overpopulation and develop neutered experimental animals, male sterilization via surgical techniques, chemical injections, and antifertility vaccines has brought particular attention recently. However, these traditional ways usually induce long-term adverse reactions, immune suppre…
Vacuum deposition techniques are used to prepare mixed iodide-bromide methylammonium lead perovskite diodes via an intermediate double layer of the pure iodide and bromide perovskites. The diodes lead to bright electroluminescence, whose emission spectra maxima shift from the infrared toward the visible with increasin…
Over the past 20 years a variety of technological advances in X-ray crystallography have shortened the time required to determine the structures of large macromolecules (i.e., proteins and nucleic acids) from several years to several weeks or days. However, one of the remaining challenges is the ability to produce dif…
We present the formation of a series of chiral metallacycles and metallacages by the use of a BINOL-derived dicarboxylate as a donor that is capable of affording a variety of coordination angles between its two Lewis basic sites. Two squares, two rhomboids, two tetragonal prisms, and one hexagonal prism were successfu…
We use a combination of molecular dynamics simulations and density functional theory calculations to investigate the energetic disorder in fullerene systems. We show that the energetic disorder evaluated from an ensemble average contains contributions of both static origin (time-independent, due to loose packing) and…
Recent implementations of QSAR modelling software provide the user with numerous models and a wealth of information. In this work, we provide some guidance on how one should interpret the results of QSAR modelling, compare and assess the resulting models, and select the best and most consistent ones. Two QSAR datasets…
We report a simple synthetic method of carbon-based hybrid cellular nanosheets that exhibit outstanding electrochemical performance for many key aspects of lithium-ion battery electrodes. The nanosheets consist of close-packed cubic cavity cells partitioned by carbon walls, resembling plant leaf tissue. We loaded carb…
Ag–Pd alloys deposited on an amine-functionalized UiO-66(NH 2 –UiO-66) have been successfully prepared via a pre-coordination method and used as a AgPd@NH 2 –UiO-66 catalyst with 100% H 2 selectivity and a high catalytic activity.
By eliminating unnecessary degrees of freedom, coarse-grained (CG) models tremendously facilitate numerical calculations and theoretical analyses of complex phenomena. However, their success critically depends upon the representation of the system and the effective potential that governs the CG degrees of freedom. Thi…
The theory of superconductivity developed by Bardeen, Cooper and Schrieffer (BCS) explains the stabilization of electron pairs into a spin-singlet, even frequency, state by the formation of an energy gap within which the density of states is zero. At a superconductor interface with an inhomogeneous ferromagnet, a gapl…
A series of solvents with different solubilities for DR3TBDTT and PC71 BM, and different boiling points, is used for solvent vapor annealing (SVA) treatment to systematically investigate the solvent-morphology-performance relationship. The presence of solvent molecules inside bulk-heterojunction (BHJ) thin films promo…
Transition metal sulfides have a great potential for energy storage due to the pronouncedly higher capacity (owing to conversion to metal or even alloy) than traditional insertion electrode materials. However, the poor cycling stability still limits the development and application in lithium and sodium ion batteries.…
The breeding blanket with integrated first wall (FW) is the key nuclear component for power extraction, tritium fuel sustainability, and radiation shielding in fusion reactors. The ITER device will address plasma burn physics and plasma support technology, but it does not have a breeding blanket. Current activities to…
The introduction of a mobile and polarized organic moiety as a cation in 3D lead-iodide perovskites brings fascinating optoelectronic properties to these materials. The extent and the time scales of the orientational mobility of the organic cation and the molecular mechanism behind its motion remain unclear, with diff…
In heterogeneous catalysis, supports play a crucial role in modulating the geometric and electronic structure of the active metal phase for optimizing the catalytic performance. A γ-Al2O3 nanosheet that contains 27% pentacoordinate Al(3+) sites can nicely disperse and stabilize raft-like Pt-Sn clusters as a result of…
The ethanol oxidation reaction (EOR) has drawn increasing interest in electrocatalysis and fuel cells by considering that ethanol as a biomass fuel has advantages of low toxicity, renewability, and a high theoretical energy density compared to methanol. Since EOR is a complex multiple-electron process involving variou…
Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring their importance in the further development of advanced semiconductor devices. Here we present a new method of growing sizable CH3NH3PbCl3 single crystals based on…
Homologous series RO-C 6 H 4 -CH=CH-COO-C 6 H 4 -CO-CH=CH-C 6 H 4 -OC 14 H 29 (P) of chalconyl novel derivatives have been synthesized and studied with a views to understand and establish the relation between molecular structure and the liquid crystal (LC) properties of thermotropic mesomorphs Series consists of thirt…
Poly(N-vinylcarbazole) covalently grafted zinc oxide nanoparticles (ZnO-g-PNVC) were synthesized with a simple route using surface initiated reversible addition-fragmentation chain transfer (RAFT) polymerization. Initially, the surface of ZnO nanoparticles was modified by the condensation reaction of 3-chloropropyltri…