The relationship between biodiversity and ecosystem function is one of hot topics in ecological research. Previous studies focused on the relationship between biodiversity and single ecosystem function. However, ecosystem can provide multiple functions and services at the same time, that is, ecosystem multifunctionality (EMF). Considering single ecosystem function will underestimate the importance of biodiversity. In recent years, more and more attention has been paid to the importance of EMF research. The relationship between biodiversity and ecosystem multifunctionality (BEMF) has become a new hotspot in ecological research. In the past 15 years, it has been found that single or multi trophic biodiversity of different dimensions and scales have significant effects on the EMF. In the context of global change, natural and human disturbance will affect biodiversity and ecosystem multifunctionality, thus changing the relationship between BEMF. The difference of EMF measurement methods may also lead to the inconsistency of BEMF relationship. The limitations of biodiversity dimension (scale) selection, the cognitive differences of different EMF measurement methods, the lack of BEMF spatiotemporal database and the single research method of BEMF relationship hinder the further exploration of BEMF relationship. Future research should compare the existing measurement methods and develop new general methods, explore the comprehensive effect of multi-dimensional and multi-scale biodiversity on EMF. In addition, we should combine the field observation, remote sensing monitoring and other comprehensive investigation means to establish a multi-scale spatiotemporal BEMF database, expand the research methods of BEMF relationship, establish a common analytical framework, standardize the research paradigm of BEMF relationship, and deepen the research of BEMF relationship.