<p>Coffee consumption behavior in business and educational scenarios in China has increased dramatically in recent years. Most current studies have focused on the effects of stress on substance use and the physiological effects of caffeine intake on individuals, and few studies have explored the antecedents and consequences of motivation for coffee consumption. This study drew on the self-medication hypothesis and regulatory focus theory, and through a two-wave time-lagged survey in Study 1 (<i>N</i> = 253), found that academic stress in Ph.D. candidates is positively related to alertness motives for coffee consumption (AMCC) and that it can contribute to resilience and academic anxiety via the mediating role of AMCC. Through the semi-structured interviews of Study 2 (<i>N</i> = 12), we explored the potential moderating roles of conscientiousness and emotional stability in the mediation model. Finally, through a three-wave time-lagged survey in Study 3 (<i>N</i> = 209), we replicated and validated the results of Studies 1 and 2. Results from Study 3 indicate that employees’ conscientiousness moderates the positive relationship between job demands and AMCC, emotional stability moderates the positive relationship between AMCC and employee resilience, and while also being negatively related to workplace anxiety. The theoretical and practical implications of this study are discussed.</p>