بررسی نظری بهبود خواص فوتوکاتالیزوری اکسید روی و سولفید کادمیم در اثر هیبرید با چارچوب آلی- فلزی با استفاده از محاسبات تابعی چگالی

In this study, energy and chemical interaction of ZnO and CdS surfaces interfaced with metal-organic framework (MOF), to improve their properties, have been investigated using density functional theory (DFT). Results show that reformation of structures by hybridation with MOF can increase their stability and improve their properties. Comparison of ZnO and CdS structures predict that deposition of MOF on ZnO substrate can be more effective.