This teaching experiment case is designed with the novel low-dimensional van der Waals crystal niobium oxyiodide (NbOI₂) as the research subject, integrating frontier advancements in physics into experimental instruction. By systematically combining multiple research methods—including first-principles calculations, micro/nano sample preparation, and spectral and electrical characterization—a teaching-oriented inquiry chain of “crystal structure → electronic structure → optoelectronic properties” is constructed, enabling students to experience a quasi-research process from theoretical prediction to experimental validation. The case aims to guide students in deeply understanding the microscopic origins of anisotropic physical properties and mastering the quasi-research pathway from theoretical prediction to experimental validation. It effectively cultivates students’ systematic thinking, scientific inquiry, and comprehensive problem-solving abilities, embodying the advanced educational concept of “research feeding back into teaching.”