Hong Li

The main objective of my research is to apply computational tools to model and design novel materials for potential applications in organic solar cells, organic-inorganic hybrid solar cells, organic electronics and spintronics, and catalysis. My recent work has focused on the investigations of the electronic, optical, and magnetic properties of various bulk and interfacial systems, especially the two-dimensional organic covalent frameworks and their interfaces with different substrates, the hybrid organic-inorganic perovskites for solar cell applications, and various organic/organic and organic/inorganic interfaces as well as the charge-transfer and charge-separation processes across such interfaces.