Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Electronic structure calculations have become a powerful foundation for computational materials engineering. Four major factors have enabled this unprecedented evolution, namely (i) the development of density functional theory (DFT), (ii) the creation of highly efficient computer programs to solve the Kohn-Sham equati…
Modification of polysulfone ultrafiltration membrane was conducted by blending polysulfone with PEG400 and acetone as additives. The influence of each additive on the resulted membrane morphology and fouling characteristics were investigated. The experimental results showed that the hydrophilicity of the polysulfone m…
Multi-walled carbon nanotube (MWCNT)/TiO2 mesoporous networks can be employed as a new alternative photoanode in dye-sensitized solar cells (DSSCs). By using the MWCNT/TiO2 mesoporous as photoanodes in DSSC, we demonstrate that the MWCNT/TiO2 mesoporous photoanode is promising alternative to standard FTO/TiO2 mesoporo…
During the past 5 years, there has been a surging interest in the study of organic–inorganic hybrid perovskite compounds for applications in photovoltaic devices because of low cost, simple fabrication process, and high-efficiency solar power conversion [ 1 – 6 ]. Typically, perovskite solar cells (PSCs) employed a me…
A combined silicide coating, including inner NbSi2 layer and outer MoSi2 layer, was fabricated through a two-step method. The NbSi2 was deposited on niobium alloy by halide activated pack cementation (HAPC) in the first step. Then, supersonic atmospheric plasma spray (SAPS) was applied to obtain the outer MoSi2 layer,…
Energy-efficient solid-state-lighting (SSL) technologies are rapidly developing, but the lack of stable, high-performance rare-earth free phosphors may impede the growth of the SSL market. One possible alternative is organic phosphor materials, but these can suffer from lower quantum yields and thermal instability com…
The development of an electrode material for rechargeable Li-ion batteries (LIBs) and the understanding of its reaction mechanism play key roles in enhancing the electrochemical characteristics of LIBs for use in various portable electronics and electric vehicles. Here, we report a three-dimensional (3D) crystalline-f…
The reactivity of the homo- and heteronuclear oxide clusters [XYO2](+) (X, Y = Al, Si, Mg) toward methane was studied using Fourier transform ion cyclotron resonance mass spectrometry, in conjunction with high-level quantum mechanical calculations. The most reactive cluster by both experiment and theory is [Al2O2](•+)…
The current density–voltage ( J – V ) curves of perovskite solar cells have been found to present a hysteresis-like distortion when the measurement is done by sweeping the applied voltage at different scan conditions. Hysteresis has raised many concerns about the feasibility and long-term stability of this kind of pho…
Solar photocatalytic water splitting has been a promising way to provide clean hydrogen energy. There are two weaknesses in the typical photocatalytic process in which photocatalysts are generally dispersing in water under stir. One is the inadequate utilization of light energy and the other one is the cumbersome oper…
Graphene is an advanced carbon energy material due to its excellent properties. Reduction of graphene oxide (GO) is the most promising mass production route of graphene/reduced graphene oxide (rGO). To maintain graphene's properties and avoid restacking of rGO sheets in bulk, the preparation of 3-dimensional porous gr…
Poor bioavailability of Docetaxel (DCT) arising due to its low aqueous solubility and permeability limits its clinical utility. The aim of the present study was to develop DCT loaded self-emulsified drug delivery systems (D-SEDDS) and evaluate its potential ability to improve the oral bioavailability and therapeutic e…
Here, we first present a follow-up to a previous work by our group on the problematic of molecular dynamics simulations of intrinsically disordered proteins (IDPs) [ Henriques et al. J. Chem. Theory Comput. 2015 , 11 , 3420 - 3431 ], using the recently developed TIP4P-D water model. When used in conjunction with the s…
Context: The effective treatment of skin carcinoma is warranted for targeting the chemotherapeutic agents into tumor cells and avoiding unwanted systemic absorption.Objective: This work was dedicated to the purpose of engineering highly penetrating shell-enriched nanoparticles that were loaded with a hydrophilic chemo…
Graphene Oxide (GO) based low cost flexible electronics and memory cell have recently attracted more attention for the fabrication of emerging electronic devices. As a suitable candidate for resistive random access memory technology, reduced graphene oxide (RGO) can be widely used for non-volatile switching memory app…
The n‐type semiconducting spinel zinc ferrite (ZnFe2O4) is used as a photoabsorber material for light‐driven water‐splitting. It is prepared for the first time by atomic layer deposition. Using the resulting well‐defined thin films as a model system, the performance of ZnFe2O4 in photoelectrochemical water oxidation i…
Electrochemical carbon dioxide (CO 2 ) reduction is an emerging technology for efficiently recycling CO 2 into fuel, and many studies of this reaction are focused on developing advanced catalysts with high activity, selectivity, and durability. Of these catalysts, oxide-derived metal nanoparticles, which are prepared…
Atherosclerosis is the key pathogenesis of cardiovascular disease, which is a silent killer and a leading cause of death in the United States. Atherosclerosis starts with the adhesion of inflammatory monocytes on the activated endothelial cells in response to inflammatory stimuli. These monocytes can further migrate i…
Cation‐disordered lithium‐excess metal oxides have recently emerged as a promising new class of high‐energy‐density cathode materials for Li‐ion batteries, but the exploration of disordered materials has been hampered by their vast and unexplored composition space. This study proposes a practical methodology for the i…
The performance of a photovoltaic device is strongly dependent on the light harvesting properties of the absorber layer as well as the charge separation at the donor/acceptor interfaces. Atomically thin two-dimensional transition metal dichalcogenides (2-D TMDCs) exhibit strong light-matter interaction, large optical…