Interfacial interactions form the foundation for bacterial adhesion, colonization, biofilm formation, and control the ecological function of bacteria in the environment. Meanwhile, the processes also play a crucial role in nutrient absorption and against pathogenic microorganisms by plants. Research on microbe-plant rhizosphere interactions has predominantly studied from the ecological and molecular biological perspectives, employing various omics techniques to study the effects of root exudates on the quantity, community composition, and physiological functions of rhizosphere microorganisms. However, the physical and chemical interfacial mechanisms involved in bacterial colonization have been overlooked. This review explores the mechanisms of interfacial interactions, discussing the regulatory effects of different types of root exudates on bacterial surface properties, extracellular polymeric substances (EPS) molecular composition, and their adhesion functions. Furthermore, the research methods related to the dynamics, structure, and energy of rhizosphere bacterial adhesion and the research frontiers, such as rhizosphere biomolecular characterization, adhesion functionality of these biomolecules, and in situ observation methods were summarized. Interfacial regulation is a key approach for the targeted selection of rhizosphere microorganisms. Advancing our knowledge of the molecular mechanisms of microbial rhizosphere adhesion can help us better use of beneficial microbes in agriculture and develop more effective bio-organic fertilizers.