This study aims to identify and explain the mechanisms underlying the emergence, reinforcement, and reproduction of organizational behavior dysfunction in bureaucratic organizations and to develop a model for understanding the dimensions and consequences of this phenomenon. Unlike approaches that primarily attribute dark organizational behaviors to employees’ individual characteristics, this study emphasizes the role of bureaucratic structures and mechanisms in shaping and perpetuating such behaviors. In terms of purpose, the study is applied, and methodologically, it adopts a mixed-methods sequential exploratory design (qualitative–quantitative). In the qualitative phase, data were collected through semi-structured interviews with 18 experts and scholars in public administration, organizational behavior, and bureaucracy. The data were analyzed using the Strauss and Corbin grounded theory approach through three stages of coding: open, axial, and selective. This process yielded 119 open codes, 29 axial codes, and eight selective codes. In the quantitative phase, a researcher-developed questionnaire was designed based on the qualitative findings and distributed among employees of public organizations. Of the 210 questionnaires distributed, 169 completed questionnaires were received. The data were analyzed using SPSS and SmartPLS. The findings indicate that organizational behavior dysfunction is a multilayered, structural, and self-reproducing phenomenon. Power concentration, hierarchical distance, diffusion of responsibility, and organizational siloing emerged as major structural conditions contributing to these dysfunctions. Furthermore, power, fear, and the suppression of organizational voice, together with the normalization and rationalization of unethical behaviors, contribute to the reinforcement and persistence of dysfunctions. Meanwhile, organizational denial and concealment of problems hinder organizational learning and corrective action. The quantitative findings also supported the model derived from the qualitative phase, with an adjusted coefficient of determination (R2adj) of 0.604 for dysfunctional outcomes. Accordingly, reducing dark organizational behaviors requires reforming power structures, strengthening accountability, and establishing effective mechanisms for listening to employees’ voices.