Stoichiometry modulates the optoelectronic functionality of zinc phosphide (Zn_3-xP_2+x).

ABSTRACT: Predictive synthesis-structure-property relationships are at the core of materials design for novel applications. In this regard, correlations between the compositional stoichiometry variations and functional properties are essential for enhancing the performance of devices based on these materials. In this work, we investigate the effect of stoichiometry variations and defects on the structural and optoelectronic properties of monocrystalline zinc phosphide (Zn₃P₂), a promising compound for photovoltaic applications. We use experimental methods, such as electron and X-ray diffraction and Raman spectroscopy, along with density functional theory calculations, to showcase the favorable creation of P interstitial defects over Zn vacancies in P-rich and Zn-poor compositio

SUBMITTER: Stutz EZ 

PROVIDER: S-EPMC9614774 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature