Biomimetic Solar Photocatalytic Reactor for Selective Oxidation of Aromatic Alcohols with Enhanced Solar-Energy Utilizat...
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status: published
status: published
The bottom-up design strategy can more rationally optimize the composition and structure of the materials to impart excellent oxygen evolution reaction (OER) performance. Heterostructures can modulate electronic behavior through interface construction to optimize materials properties for superior OER performance. In this paper, we created abundant ...
The bottom-up design strategy can more rationally optimize the composition and structure of the materials to impart excellent oxygen evolution reaction (OER) performance. Heterostructures can modulate electronic behavior through interface construction to optimize materials properties for superior OER performance. In this paper, we created abundant ...
status: published
BiVO4 has attracted wide attention for oxygen-evolution photoanodes in water-splitting photoelectrochemical devices. However, its performance is hampered by electron-hole recombination at surface states. Herein, partially oxidized two-dimensional (2D) bismuthene is developed as an effective, stable, functional interlayer between BiVO4 and the arche...
status: published
Published in Inorganic Materials: Applied Research
An improved diffusion model of pore annihilation during hot isostatic pressing of single crystals of nickel-base superalloys is proposed. The model considers dissolution of pores by emission of vacancies and their diffusion sink to low-angle boundaries. The calculation, which takes into account pore size distribution, predicts the kinetics of pore ...
The magnetic stability of E' centers and the peroxy radical on the surface of alpha-quartz is investigated with first-principles calculations to understand their role in magnetic flux noise in superconducting qubits (SQs) and superconducting quantum interference devices (SQUIDs) fabricated on amorphous silica substrates. Paramagnetic E' centers are...
Increased computational resources now make it possible to generate large data sets solely from first principles. Such "high-throughput" screening is employed to create a database of embedding enthalpies for extrinsic point defects and their vacancy complexes in Si and Ge for 73 impurities from H to Rn. Calculations are performed both at the PBE and...
An Al-alloyed Fe-Cr-Ni-Al-Mn-C ferritic stainless steel exhibited a high apparent coefficient of thermal expansion during continuous heating in the temperature range of 800-1050 degrees C. The anomaly was ascribed to the matrix lattice expansion associated with the dissolution of (Ni, Fe)Al precipitateswith a B2-CsCl crystal structure. The expansio...