Consequently, we concentrate on the sheet-like nanomaterials based on thinner limit thickness (merely one unit-cell thickness) for creating p– n junctions to tackle the above problems. However, the obstacle in interlayer carrier separation and transport is common for such structures. For example, Philip Kim and co-workers proposed the ultrathin p- n heterojunctions formed by van der Waals interactions. In terms of the traditional p- n junctions, the materials employed for constructing such structures have attained their theoretical limit of the thickness (two unit cells thick). For some n-type materials (such as metal oxides, chalcogenides, and g-C 3N 4), there have been wide studies on the construction of p- n junctions via group V elements acceptor-doping. Tailoring ultrathin morphology, and building p- n junctions, ,, have been proven capable of optimizing the PEC performance. So far, a great variety of semiconductor materials have been researched and applied to PEC devices, however, most of the photocatalysts are still subjected to limited photoactivity as a result of the high recombination rate of photoexcited charges. Solar-driven photoelectrochemical (PEC) water splitting to hydrogen fuel has been an ideal avenue for clean energy storage and conversion,. Besides, the hydrogen and oxygen production in the stoichiometric ratio (2:1) is achieved at a Faradaic efficiency of almost unity. As a result, such peculiar nanostructure of the optimal phosphorus-incorporated n-type ZIS (n-ZIS-P) photoelectrode delivers the highest photogenerated current density of 6.34 mA cm −2 at 1.23 V versus reversible hydrogen electrode (V RHE) among all the reported ZIS-based photoanodes. Herein, we report that p-n junctions based on n-type (sulfur vacancies) and p-type (phosphorus incorporation) domains of single-unit-cell thick ZnIn 2S 4 (ZIS) nanosheet arrays present a quite different carrier separation/transport characteristic. Concerning the traditional p-n junctions, although the p- and n-type materials that are utilized to build them have been decreased from bulk to only two unit cells, the PEC water splitting efficiency is still tough to be satisfactory due to the obstacle of interlayer carrier separation/transport. Please note that we are no longer providing access to VASP 6-dev (pre-release) per instructions from VASP headquarters.The realization of semiconductor p–n junctions is essential for improved photoelectrochemical (PEC) performance in water splitting. We have two versions of VASP available: a) 5.4.4. This is either the University of Vienna or Material Designs, Inc.
#Vasp 5.4.4 piezoelectricity sign license
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#Vasp 5.4.4 piezoelectricity sign software
The Vienna Ab initio Simulation Package (VASP) is a software package for performing electronic structure calculations with periodic boundary conditions.
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