Materials Literature
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A mesoscale study of a single crystal nickel-base superalloy subjected to an industrially relevant process simulation has revealed the complex interplay between microstructural development and the micromechanical behaviour. As sample gauge volumes were smaller than the length scale of the highly cored structure of the…
Real-time time-dependent density functional theory, in conjunction with the Ehrenfest molecular dynamics scheme, is becoming a popular methodology to investigate ultrafast phenomena on the nanoscale. Thanks to recent developments, it is also possible to explicitly include in the simulations a time-dependent laser puls…
The growth window of epitaxial Hf0.5Zr0.5O2 is established taking into account the main ferroelectric properties that films have to present simultaneously: high remanent polarization, low fatigue, and long retention. Defects in the film and imprint field depend on deposition temperature and oxygen pressure, with an im…
Recently, there is a growing interest in developing magnesium (Mg) based degradable biomaterial. Although corrosion is a concern for Mg, other physical properties, such as low density and Young's modulus, combined with good biocompatibility, lead to significant research and development in this area. To address the iss…
Abstract The realistic computer modelling of battery materials is an important research goal, with open questions ranging from atomic-scale structure and dynamics to macroscopic phenomena. Quantum-mechanical methods offer high accuracy and predictive power in small-scale atomistic simulations, but they quickly reach t…
Angiogenesis (or the development of new blood vessels) is a key event in tissue engineering and regenerative medicine; thus, a number of biomaterials have been developed and combined with stem cells and/or bioactive molecules to produce three-dimensional (3D) pro-angiogenic constructs. Among the various biomaterials,…
Modulation of the electronic structure of metal-based catalysts is a key to optimize the catalytic activity. Here, we have shown the electronic tuning of Ni by Mo species anchored on SAPO-11 (Ni–Mo/S-11) enabling the high-efficient hydroisomerization of n -alkanes comparable to commercial Pt/S-11, which is of great im…
Traditional pharmacotherapy suffers from multiple drawbacks that hamper patient treatment, such as the buildup of antibiotic resistances or low drug selectivity and toxicity during systemic application. To overcome these challenges, drug activity can be controlled by employing delivery, targeting, or release solutions…
Sustainable polymers are environmentally benign and better alternative for fossil-based petrochemical polymers. Sustainable polymers consume lesser energy, minimal environmental impact and are economically balanced. This article presents cumulative review of Life Cycle Assessment (LCA) of fossil and biopolymers. LCA i…
Abstract Terahertz (THz) absorption technology is promising in radar stealth, electromagnetic interference (EMI) shielding, and the upcoming 6G communication. However, the most popular metamaterial‐based THz absorbers suffer from complex fabrication process and/or narrowband characteristics. Here, a broadband, lightwe…
The delivery of therapeutics to the brain in an efficient, noninvasive manner continues to be a major unmet need in the field of drug delivery. One significant impediment to brain delivery results from the existence of the physical yet dynamic blood–brain barrier (BBB). Despite the many, often complex strategies that…
In this work, a novel heterojunction catalyst was constructed by introducing Ti 3 C 2 MXene quantum dots (QDs) into SiC. The Ti 3 C 2 MXene QDs/SiC composite showed 74.6% efficiency in NO pollutant removal under visible light irradiation, which is 3.1 and 3.7 times higher than those of the bare Ti 3 C 2 MXene quantum…
Discovering chemicals with desired attributes is a long and painstaking process. Curated datasets containing reliable quantum-mechanical properties for millions of molecules are becoming increasingly available. The development of novel machine learning tools to obtain chemical knowledge from these datasets has the pot…
Transparent conductive film (TCF) is promising for optoelectronic instrument applications. However, designing a robust, stable, and flexible TCF that can shield electromagnetic waves and work in harsh conditions remains a challenge. Herein, a multifunctional and flexible TCF with effective electromagnetic interference…
Abstract Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, CH4 activation into hydrogen, higher hydrocarbons or oxygenates, and NH3 synthesis. Other applications are already more established, such as for air pollution c…
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space grou…
Recorded single-electron event data of bulk 2H-WSe2 photoemission from a commercial momentum microscope (SPECS METIS 1000).These data are used for demonstration of the computational workflow explained in the following publication. R. P. Xian, Y. Acremann, S. Y. Agustsson, M. Dendzik, K. Bühlmann, D. Curcio, D. Kutnyak…
Oil on canvas 20 x 20 cm 2018 Source: Objaverse 1.0 / Sketchfab
Oil on canvas 20 x 20 cm 2018 Source: Objaverse 1.0 / Sketchfab
This short review deals with some aspects of space charges in solid dielectrics, and, in particular, in polymeric materials. The relationship between space charges and prebreakdown events is discussed and the importance of space charges for the breakdown of solid dielectrics is emphasized.