SLJCompact: A semiconductor-liquid junction solver for rapid band diagram insights into photoelectrochemical devices

SLJCompact is a Matlab based program that computes the band diagram and current-voltage characteristics of semiconductor photoanodes. To enable rapid insights, corresponding to various semiconductor-liquid junction (SLJ) properties and observable current-voltage characteristics, an abridged set of semi-analytical conservation equations are employed in the semiconductor region coupled with Gouy-Chapman screening within the liquid region. Electrostatic interactions between these regions across the junction are solved self-consistently through a variation on the Scharfetter-Gummel method. In this manner, the model is able to provide key band diagram insights regarding the correlated operation of photoanodes, both under illumination and in the dark, with respect to: current-voltage trends, quasi-Fermi level splitting, hole transfer rates, electron transfer rates, depletion region screening, hole inversion screening, and carrier recombination lifetimes. Motivated by Kroemer's lemma, SLJCompact is intended to further the adoption of band diagram methods within the photoelectrochemical device literature, by providing a computationally inexpensive approach residing between computationally intensive full continuity equation solvers and more approximate analytical expressions.

SLJCompact是一款基于Matlab的软件，用于计算半导体光阳极的能带图和电流-电压特性。为了快速获得对各种半导体-液体结（SLJ）性质及可观测的电流-电压特性的洞察，该软件在半导体区域采用了简化的半解析守恒方程组，并结合了液体区域内的Gouy-Chapman屏蔽效应。通过改进的Scharfetter-Gummel方法，对跨结区域的静电相互作用进行自洽求解。以此方式，该模型能够提供关于光阳极相关操作的能带图关键见解，包括在光照和黑暗条件下的电流-电压趋势、准费米能级分裂、空穴迁移率、电子迁移率、耗尽区屏蔽、空穴反转屏蔽以及载流子复合寿命。受Kroemer引理启发，SLJCompact旨在推动能带图方法在光电子化学装置文献中的应用，通过提供一种计算成本较低的解决方案，介于计算密集型的全连续方程求解器和更近似的解析表达式之间。