Abstract Due to its widespread existence, hydrogen bond is highly valued in the field of chemistry. “Lithium bond” has some features similar to hydrogen bond, but the metallicity and relatively large atomic radius of lithium make “lithium bond” has its own unique characteristics. On the basis of hydrogen bond, this paper introduces the concept, structural characteristics of “lithium bond” and its application in lithium batteries, which is helpful for people to deeply understand and apply “lithium bond”. Considering that the new concept of “lithium bond” is rarely mentioned in chemistry teaching currently, it is expected that the knowledge related to lithium bond chemistry will be appropriately involved in the future. This means keeping up with the trend of scientific and technological development, thereby further cultivating students’ awareness of scientific research and innovation.