The miniaturization, integration, and high data throughput of electronic chips present challenging demands on thermal management, especially concerning heat dissipation at interfaces, which is a fundamental scientific question as well as an engineering problem—a heat death problem called in semiconductor industry. A comprehensive examination of interfacial thermal resistance has been given from physics perspective in 2022 in Review of Modern Physics. Here, we provide a detailed overview from a materials perspective, focusing on the optimization of structure and compositions of thermal interface materials (TIMs) and the interact/contact with heat source and heat sink. First, we discuss the impact of thermal conductivity, bond line thickness, and contact resistance on the thermal resistance of TIMs. Second, it is pointed out that there are two major routes to improve heat transfer through the interface. One is to reduce the TIM's thermal resistance (RTIM) of the TIMs through strategies like incorporating thermal conductive fillers, enhancing interfacial structure and treatment techniques. The other is to reduce the contact thermal resistance (Rc) by improving effective interface contact, strengthening bonding, and utilizing mass gradient TIMs to alleviate vibrational mismatch between TIM and heat source/sink. Finally, such challenges as the fundamental theories, potential developments in sustainable TIMs, and the application of AI in TIMs design are also explored.