Li’s focus of research includes areas of solid-state inorganic and materials chemistry. Her current research focuses on the development of new and functional materials that are fundamentally important and relevant for clean and renewable energy applications. These include (a) metal organic frameworks (MOFs) for gas storage and  separation, carbon dioxide capture, waste remediation and chemical sensing, and energy efficient lighting applications; These materials are made of a metal ion or metal cluster such as transition metals and organic ligands such as carboxylate groups and nitrogen containing molecules; (b) inorganic-organic hybrid semiconductors for optoelectronic devices such as photovoltaics and solid-state lighting. These crystalline compounds consist of both inorganic and organic structure motifs. They combine the good features of the two components, resulting in enhanced and improved properties.